USER MOD reduce.3.24.130724 H: found=0, std=0, add=1275, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1275 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 95 LYS NZ :NH3+ 152:sc= 0.626 (180deg=0) USER MOD Set 1.2: A 147 TYR OH : rot 8:sc= 0.923 USER MOD Set 2.1: A 124 GLN : amide:sc= 0.235 K(o=0.96,f=-1) USER MOD Set 2.2: A 140 GLN : amide:sc= 0.727 K(o=0.96,f=-0.53) USER MOD Set 3.1: A 18 THR OG1 : rot -153:sc= 1.15 USER MOD Set 3.2: A 36 SER OG : rot -174:sc= 0.976 USER MOD Set 4.1: A 27 SER OG : rot -32:sc= 0.247 USER MOD Set 4.2: A 55 TYR OH : rot -138:sc= -0.0679 USER MOD Single : A 1 MET CE :methyl -132:sc= -0.106 (180deg=-0.566) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -127:sc= 0.617 (180deg=-0.383) USER MOD Single : A 10 THR OG1 : rot 124:sc= 1.42 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.603 USER MOD Single : A 14 SER OG : rot -11:sc= 1 USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 0.773 (180deg=0.681) USER MOD Single : A 16 GLN : amide:sc= -0.0407 X(o=-0.041,f=-0.32) USER MOD Single : A 20 MET CE :methyl 159:sc= -0.872 (180deg=-2.67) USER MOD Single : A 24 TYR OH : rot 30:sc= -0.366 USER MOD Single : A 26 ASN : amide:sc= -2.82! C(o=-2.8!,f=-3.9!) USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00131) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.0213 F(o=-1.4!,f=-0.021) USER MOD Single : A 37 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.67) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -24:sc= 0.483 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0517 K(o=-0.052,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00154) USER MOD Single : A 49 GLN : amide:sc= -0.856 X(o=-0.86,f=-0.44) USER MOD Single : A 52 LYS NZ :NH3+ -135:sc= 0.733 (180deg=-1.2) USER MOD Single : A 58 MET CE :methyl -115:sc= -0.83 (180deg=-1.82!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.269 X(o=-0.27,f=0.058) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0216) USER MOD Single : A 82 SER OG : rot 86:sc= 1.01 USER MOD Single : A 86 ASN : amide:sc= 0.338 K(o=0.34,f=-7!) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc=-0.00302 (180deg=-0.135) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= -0.138 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0889 USER MOD Single : A 104 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 114 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.12) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc=-0.00258 K(o=-0.0026,f=-0.73) USER MOD Single : A 119 TYR OH : rot -160:sc= 1.5 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.24 F(o=-1.8!,f=-0.24) USER MOD Single : A 122 TYR OH : rot 165:sc= 0.626 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HE2:sc= 0.15 K(o=0.15,f=-2) USER MOD Single : A 145 THR OG1 : rot 142:sc= 0.00543 USER MOD Single : A 151 GLN :FLIP amide:sc= -1.13 F(o=-2!,f=-1.1) USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 HIS : no HD1:sc= -0.0625 X(o=-0.062,f=-0.062) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 158 HIS : no HD1:sc= -0.0679 X(o=-0.068,f=-0.14) USER MOD Single : A 159 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 160 HIS : no HE2:sc= 0 X(o=0,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -30.320 2.005 -7.783 1.00 5.02 N ATOM 2 CA MET A 1 -30.599 1.919 -6.333 1.00 11.42 C ATOM 3 C MET A 1 -29.266 1.851 -5.585 1.00 41.55 C ATOM 4 O MET A 1 -28.595 0.813 -5.636 1.00 32.51 O ATOM 5 CB MET A 1 -31.495 0.679 -6.036 1.00 53.20 C ATOM 6 CG MET A 1 -32.021 0.563 -4.587 1.00 34.03 C ATOM 7 SD MET A 1 -30.767 0.072 -3.378 1.00 41.04 S ATOM 8 CE MET A 1 -30.309 -1.566 -3.955 1.00 62.23 C ATOM 0 H1 MET A 1 -31.217 2.052 -8.307 1.00 5.02 H new ATOM 0 H2 MET A 1 -29.760 2.859 -7.979 1.00 5.02 H new ATOM 0 H3 MET A 1 -29.787 1.164 -8.084 1.00 5.02 H new ATOM 0 HA MET A 1 -31.145 2.799 -5.994 1.00 11.42 H new ATOM 0 HB2 MET A 1 -32.349 0.701 -6.712 1.00 53.20 H new ATOM 0 HB3 MET A 1 -30.927 -0.221 -6.270 1.00 53.20 H new ATOM 0 HG2 MET A 1 -32.442 1.523 -4.287 1.00 34.03 H new ATOM 0 HG3 MET A 1 -32.834 -0.162 -4.565 1.00 34.03 H new ATOM 0 HE1 MET A 1 -30.311 -2.261 -3.115 1.00 62.23 H new ATOM 0 HE2 MET A 1 -31.026 -1.901 -4.705 1.00 62.23 H new ATOM 0 HE3 MET A 1 -29.313 -1.531 -4.395 1.00 62.23 H new ATOM 20 N VAL A 2 -28.858 3.003 -4.971 1.00 71.13 N ATOM 21 CA VAL A 2 -27.570 3.209 -4.230 1.00 44.01 C ATOM 22 C VAL A 2 -26.322 2.752 -5.031 1.00 33.13 C ATOM 23 O VAL A 2 -25.230 2.604 -4.460 1.00 51.44 O ATOM 24 CB VAL A 2 -27.576 2.598 -2.758 1.00 74.41 C ATOM 25 CG1 VAL A 2 -28.833 3.049 -1.977 1.00 10.31 C ATOM 26 CG2 VAL A 2 -27.418 1.053 -2.728 1.00 14.40 C ATOM 0 H VAL A 2 -29.436 3.843 -4.978 1.00 71.13 H new ATOM 0 HA VAL A 2 -27.493 4.290 -4.115 1.00 44.01 H new ATOM 0 HB VAL A 2 -26.693 2.997 -2.259 1.00 74.41 H new ATOM 0 HG11 VAL A 2 -28.813 2.619 -0.976 1.00 10.31 H new ATOM 0 HG12 VAL A 2 -28.845 4.137 -1.904 1.00 10.31 H new ATOM 0 HG13 VAL A 2 -29.727 2.710 -2.500 1.00 10.31 H new ATOM 0 HG21 VAL A 2 -27.431 0.706 -1.695 1.00 14.40 H new ATOM 0 HG22 VAL A 2 -28.240 0.592 -3.276 1.00 14.40 H new ATOM 0 HG23 VAL A 2 -26.472 0.775 -3.193 1.00 14.40 H new ATOM 36 N GLU A 3 -26.501 2.620 -6.372 1.00 64.34 N ATOM 37 CA GLU A 3 -25.530 2.028 -7.316 1.00 21.01 C ATOM 38 C GLU A 3 -25.269 0.517 -7.030 1.00 4.42 C ATOM 39 O GLU A 3 -25.270 0.080 -5.876 1.00 42.10 O ATOM 40 CB GLU A 3 -24.195 2.837 -7.367 1.00 13.13 C ATOM 41 CG GLU A 3 -24.369 4.258 -7.925 1.00 63.33 C ATOM 42 CD GLU A 3 -23.062 5.057 -7.957 1.00 54.33 C ATOM 43 OE1 GLU A 3 -22.320 4.972 -8.962 1.00 21.11 O ATOM 44 OE2 GLU A 3 -22.763 5.766 -6.972 1.00 62.43 O ATOM 0 H GLU A 3 -27.354 2.934 -6.835 1.00 64.34 H new ATOM 0 HA GLU A 3 -25.987 2.091 -8.304 1.00 21.01 H new ATOM 0 HB2 GLU A 3 -23.775 2.897 -6.363 1.00 13.13 H new ATOM 0 HB3 GLU A 3 -23.474 2.298 -7.982 1.00 13.13 H new ATOM 0 HG2 GLU A 3 -24.776 4.198 -8.935 1.00 63.33 H new ATOM 0 HG3 GLU A 3 -25.100 4.793 -7.318 1.00 63.33 H new ATOM 51 N PRO A 4 -25.013 -0.305 -8.095 1.00 21.40 N ATOM 52 CA PRO A 4 -24.719 -1.758 -7.956 1.00 4.11 C ATOM 53 C PRO A 4 -23.244 -2.057 -7.561 1.00 61.53 C ATOM 54 O PRO A 4 -22.747 -3.167 -7.803 1.00 63.33 O ATOM 55 CB PRO A 4 -25.055 -2.290 -9.366 1.00 62.31 C ATOM 56 CG PRO A 4 -24.678 -1.166 -10.284 1.00 54.14 C ATOM 57 CD PRO A 4 -25.010 0.109 -9.531 1.00 3.52 C ATOM 0 HA PRO A 4 -25.288 -2.227 -7.153 1.00 4.11 H new ATOM 0 HB2 PRO A 4 -24.493 -3.196 -9.594 1.00 62.31 H new ATOM 0 HB3 PRO A 4 -26.112 -2.540 -9.456 1.00 62.31 H new ATOM 0 HG2 PRO A 4 -23.619 -1.206 -10.538 1.00 54.14 H new ATOM 0 HG3 PRO A 4 -25.232 -1.223 -11.221 1.00 54.14 H new ATOM 0 HD2 PRO A 4 -24.271 0.887 -9.720 1.00 3.52 H new ATOM 0 HD3 PRO A 4 -25.978 0.509 -9.832 1.00 3.52 H new ATOM 65 N GLY A 5 -22.566 -1.065 -6.943 1.00 63.01 N ATOM 66 CA GLY A 5 -21.191 -1.222 -6.472 1.00 71.10 C ATOM 67 C GLY A 5 -20.172 -1.215 -7.606 1.00 14.41 C ATOM 68 O GLY A 5 -19.347 -2.128 -7.719 1.00 11.43 O ATOM 0 H GLY A 5 -22.962 -0.143 -6.762 1.00 63.01 H new ATOM 0 HA2 GLY A 5 -20.957 -0.418 -5.775 1.00 71.10 H new ATOM 0 HA3 GLY A 5 -21.106 -2.158 -5.919 1.00 71.10 H new ATOM 72 N VAL A 6 -20.244 -0.175 -8.458 1.00 2.20 N ATOM 73 CA VAL A 6 -19.315 0.008 -9.598 1.00 35.52 C ATOM 74 C VAL A 6 -17.970 0.654 -9.167 1.00 41.43 C ATOM 75 O VAL A 6 -17.043 0.750 -9.981 1.00 3.51 O ATOM 76 CB VAL A 6 -19.975 0.873 -10.742 1.00 30.22 C ATOM 77 CG1 VAL A 6 -21.238 0.182 -11.309 1.00 1.22 C ATOM 78 CG2 VAL A 6 -20.294 2.308 -10.249 1.00 41.25 C ATOM 0 H VAL A 6 -20.944 0.562 -8.379 1.00 2.20 H new ATOM 0 HA VAL A 6 -19.102 -0.990 -9.981 1.00 35.52 H new ATOM 0 HB VAL A 6 -19.251 0.956 -11.553 1.00 30.22 H new ATOM 0 HG11 VAL A 6 -21.670 0.802 -12.095 1.00 1.22 H new ATOM 0 HG12 VAL A 6 -20.967 -0.790 -11.721 1.00 1.22 H new ATOM 0 HG13 VAL A 6 -21.968 0.047 -10.511 1.00 1.22 H new ATOM 0 HG21 VAL A 6 -20.747 2.879 -11.059 1.00 41.25 H new ATOM 0 HG22 VAL A 6 -20.986 2.258 -9.408 1.00 41.25 H new ATOM 0 HG23 VAL A 6 -19.373 2.797 -9.932 1.00 41.25 H new ATOM 88 N ALA A 7 -17.882 1.094 -7.896 1.00 23.15 N ATOM 89 CA ALA A 7 -16.686 1.776 -7.359 1.00 12.53 C ATOM 90 C ALA A 7 -15.472 0.813 -7.295 1.00 12.45 C ATOM 91 O ALA A 7 -15.384 -0.030 -6.397 1.00 50.15 O ATOM 92 CB ALA A 7 -16.987 2.375 -5.972 1.00 23.34 C ATOM 0 H ALA A 7 -18.634 0.988 -7.215 1.00 23.15 H new ATOM 0 HA ALA A 7 -16.426 2.589 -8.037 1.00 12.53 H new ATOM 0 HB1 ALA A 7 -16.096 2.874 -5.590 1.00 23.34 H new ATOM 0 HB2 ALA A 7 -17.799 3.097 -6.056 1.00 23.34 H new ATOM 0 HB3 ALA A 7 -17.279 1.579 -5.287 1.00 23.34 H new ATOM 98 N LYS A 8 -14.572 0.932 -8.288 1.00 5.23 N ATOM 99 CA LYS A 8 -13.320 0.160 -8.357 1.00 54.42 C ATOM 100 C LYS A 8 -12.219 1.107 -8.888 1.00 50.30 C ATOM 101 O LYS A 8 -12.446 1.839 -9.858 1.00 3.13 O ATOM 102 CB LYS A 8 -13.504 -1.096 -9.288 1.00 34.02 C ATOM 103 CG LYS A 8 -12.650 -2.343 -8.923 1.00 51.12 C ATOM 104 CD LYS A 8 -11.123 -2.098 -8.985 1.00 22.42 C ATOM 105 CE LYS A 8 -10.294 -3.341 -8.631 1.00 74.14 C ATOM 106 NZ LYS A 8 -10.449 -4.418 -9.641 1.00 75.35 N ATOM 0 H LYS A 8 -14.695 1.573 -9.072 1.00 5.23 H new ATOM 0 HA LYS A 8 -13.037 -0.215 -7.373 1.00 54.42 H new ATOM 0 HB2 LYS A 8 -14.555 -1.383 -9.274 1.00 34.02 H new ATOM 0 HB3 LYS A 8 -13.266 -0.804 -10.311 1.00 34.02 H new ATOM 0 HG2 LYS A 8 -12.915 -2.671 -7.918 1.00 51.12 H new ATOM 0 HG3 LYS A 8 -12.905 -3.157 -9.601 1.00 51.12 H new ATOM 0 HD2 LYS A 8 -10.856 -1.765 -9.988 1.00 22.42 H new ATOM 0 HD3 LYS A 8 -10.864 -1.290 -8.301 1.00 22.42 H new ATOM 0 HE2 LYS A 8 -9.242 -3.065 -8.553 1.00 74.14 H new ATOM 0 HE3 LYS A 8 -10.599 -3.714 -7.653 1.00 74.14 H new ATOM 0 HZ1 LYS A 8 -10.723 -5.302 -9.167 1.00 75.35 H new ATOM 0 HZ2 LYS A 8 -11.185 -4.149 -10.325 1.00 75.35 H new ATOM 0 HZ3 LYS A 8 -9.547 -4.558 -10.140 1.00 75.35 H new ATOM 120 N LEU A 9 -11.043 1.092 -8.234 1.00 45.31 N ATOM 121 CA LEU A 9 -9.900 1.941 -8.613 1.00 31.13 C ATOM 122 C LEU A 9 -9.157 1.333 -9.820 1.00 1.35 C ATOM 123 O LEU A 9 -8.895 0.123 -9.853 1.00 12.15 O ATOM 124 CB LEU A 9 -8.933 2.085 -7.412 1.00 55.43 C ATOM 125 CG LEU A 9 -7.720 3.045 -7.604 1.00 34.12 C ATOM 126 CD1 LEU A 9 -8.195 4.488 -7.818 1.00 61.33 C ATOM 127 CD2 LEU A 9 -6.725 2.940 -6.424 1.00 41.03 C ATOM 0 H LEU A 9 -10.859 0.492 -7.430 1.00 45.31 H new ATOM 0 HA LEU A 9 -10.271 2.927 -8.894 1.00 31.13 H new ATOM 0 HB2 LEU A 9 -9.507 2.429 -6.552 1.00 55.43 H new ATOM 0 HB3 LEU A 9 -8.549 1.096 -7.164 1.00 55.43 H new ATOM 0 HG LEU A 9 -7.185 2.736 -8.502 1.00 34.12 H new ATOM 0 HD11 LEU A 9 -7.331 5.140 -7.950 1.00 61.33 H new ATOM 0 HD12 LEU A 9 -8.824 4.536 -8.707 1.00 61.33 H new ATOM 0 HD13 LEU A 9 -8.767 4.815 -6.950 1.00 61.33 H new ATOM 0 HD21 LEU A 9 -5.891 3.622 -6.589 1.00 41.03 H new ATOM 0 HD22 LEU A 9 -7.232 3.205 -5.496 1.00 41.03 H new ATOM 0 HD23 LEU A 9 -6.350 1.919 -6.354 1.00 41.03 H new ATOM 139 N THR A 10 -8.819 2.187 -10.795 1.00 13.30 N ATOM 140 CA THR A 10 -8.102 1.797 -12.019 1.00 35.43 C ATOM 141 C THR A 10 -6.583 1.680 -11.775 1.00 32.02 C ATOM 142 O THR A 10 -6.055 2.114 -10.741 1.00 63.23 O ATOM 143 CB THR A 10 -8.428 2.800 -13.173 1.00 64.24 C ATOM 144 OG1 THR A 10 -8.413 4.139 -12.651 1.00 11.51 O ATOM 145 CG2 THR A 10 -9.798 2.503 -13.816 1.00 65.03 C ATOM 0 H THR A 10 -9.038 3.182 -10.756 1.00 13.30 H new ATOM 0 HA THR A 10 -8.446 0.807 -12.319 1.00 35.43 H new ATOM 0 HB THR A 10 -7.670 2.690 -13.948 1.00 64.24 H new ATOM 0 HG1 THR A 10 -7.776 4.682 -13.161 1.00 11.51 H new ATOM 0 HG21 THR A 10 -9.989 3.221 -14.614 1.00 65.03 H new ATOM 0 HG22 THR A 10 -9.795 1.494 -14.229 1.00 65.03 H new ATOM 0 HG23 THR A 10 -10.580 2.584 -13.061 1.00 65.03 H new ATOM 153 N THR A 11 -5.899 1.105 -12.769 1.00 61.22 N ATOM 154 CA THR A 11 -4.540 0.567 -12.633 1.00 71.23 C ATOM 155 C THR A 11 -3.434 1.642 -12.576 1.00 72.34 C ATOM 156 O THR A 11 -2.448 1.436 -11.871 1.00 24.04 O ATOM 157 CB THR A 11 -4.269 -0.453 -13.785 1.00 12.44 C ATOM 158 OG1 THR A 11 -4.645 0.132 -15.045 1.00 51.33 O ATOM 159 CG2 THR A 11 -5.057 -1.764 -13.582 1.00 63.14 C ATOM 0 H THR A 11 -6.281 0.998 -13.709 1.00 61.22 H new ATOM 0 HA THR A 11 -4.496 0.067 -11.666 1.00 71.23 H new ATOM 0 HB THR A 11 -3.205 -0.689 -13.778 1.00 12.44 H new ATOM 0 HG1 THR A 11 -4.473 -0.508 -15.767 1.00 51.33 H new ATOM 0 HG21 THR A 11 -4.843 -2.448 -14.403 1.00 63.14 H new ATOM 0 HG22 THR A 11 -4.761 -2.224 -12.639 1.00 63.14 H new ATOM 0 HG23 THR A 11 -6.125 -1.547 -13.560 1.00 63.14 H new ATOM 167 N TYR A 12 -3.599 2.786 -13.287 1.00 62.35 N ATOM 168 CA TYR A 12 -2.550 3.850 -13.350 1.00 5.12 C ATOM 169 C TYR A 12 -2.148 4.353 -11.939 1.00 73.53 C ATOM 170 O TYR A 12 -0.984 4.684 -11.690 1.00 73.13 O ATOM 171 CB TYR A 12 -3.001 5.044 -14.248 1.00 51.03 C ATOM 172 CG TYR A 12 -4.235 5.828 -13.752 1.00 4.14 C ATOM 173 CD1 TYR A 12 -4.117 6.837 -12.789 1.00 42.34 C ATOM 174 CD2 TYR A 12 -5.514 5.560 -14.243 1.00 64.41 C ATOM 175 CE1 TYR A 12 -5.213 7.529 -12.338 1.00 23.15 C ATOM 176 CE2 TYR A 12 -6.612 6.269 -13.793 1.00 72.25 C ATOM 177 CZ TYR A 12 -6.451 7.247 -12.837 1.00 22.21 C ATOM 178 OH TYR A 12 -7.534 7.955 -12.384 1.00 1.14 O ATOM 0 H TYR A 12 -4.440 3.000 -13.823 1.00 62.35 H new ATOM 0 HA TYR A 12 -1.669 3.395 -13.803 1.00 5.12 H new ATOM 0 HB2 TYR A 12 -2.166 5.739 -14.342 1.00 51.03 H new ATOM 0 HB3 TYR A 12 -3.213 4.663 -15.247 1.00 51.03 H new ATOM 0 HD1 TYR A 12 -3.142 7.076 -12.392 1.00 42.34 H new ATOM 0 HD2 TYR A 12 -5.648 4.787 -14.986 1.00 64.41 H new ATOM 0 HE1 TYR A 12 -5.095 8.297 -11.588 1.00 23.15 H new ATOM 0 HE2 TYR A 12 -7.594 6.056 -14.190 1.00 72.25 H new ATOM 0 HH TYR A 12 -8.344 7.638 -12.835 1.00 1.14 H new ATOM 188 N ALA A 13 -3.142 4.379 -11.033 1.00 44.23 N ATOM 189 CA ALA A 13 -2.988 4.843 -9.650 1.00 53.01 C ATOM 190 C ALA A 13 -2.047 3.922 -8.850 1.00 20.21 C ATOM 191 O ALA A 13 -1.179 4.395 -8.110 1.00 42.22 O ATOM 192 CB ALA A 13 -4.372 4.920 -8.990 1.00 12.14 C ATOM 0 H ALA A 13 -4.090 4.072 -11.249 1.00 44.23 H new ATOM 0 HA ALA A 13 -2.534 5.834 -9.657 1.00 53.01 H new ATOM 0 HB1 ALA A 13 -4.266 5.264 -7.961 1.00 12.14 H new ATOM 0 HB2 ALA A 13 -5.001 5.618 -9.543 1.00 12.14 H new ATOM 0 HB3 ALA A 13 -4.834 3.933 -8.996 1.00 12.14 H new ATOM 198 N SER A 14 -2.225 2.600 -9.039 1.00 74.24 N ATOM 199 CA SER A 14 -1.444 1.570 -8.331 1.00 24.11 C ATOM 200 C SER A 14 -0.036 1.419 -8.934 1.00 3.12 C ATOM 201 O SER A 14 0.918 1.116 -8.209 1.00 71.33 O ATOM 202 CB SER A 14 -2.201 0.225 -8.357 1.00 34.11 C ATOM 203 OG SER A 14 -2.470 -0.212 -9.680 1.00 41.24 O ATOM 0 H SER A 14 -2.914 2.218 -9.687 1.00 74.24 H new ATOM 0 HA SER A 14 -1.321 1.885 -7.295 1.00 24.11 H new ATOM 0 HB2 SER A 14 -1.612 -0.532 -7.839 1.00 34.11 H new ATOM 0 HB3 SER A 14 -3.139 0.327 -7.812 1.00 34.11 H new ATOM 0 HG SER A 14 -2.283 0.516 -10.309 1.00 41.24 H new ATOM 209 N LYS A 15 0.075 1.651 -10.263 1.00 3.11 N ATOM 210 CA LYS A 15 1.351 1.557 -11.005 1.00 22.22 C ATOM 211 C LYS A 15 2.362 2.593 -10.490 1.00 11.04 C ATOM 212 O LYS A 15 3.503 2.253 -10.174 1.00 1.04 O ATOM 213 CB LYS A 15 1.117 1.777 -12.529 1.00 12.23 C ATOM 214 CG LYS A 15 0.294 0.680 -13.231 1.00 64.23 C ATOM 215 CD LYS A 15 1.015 -0.688 -13.278 1.00 5.43 C ATOM 216 CE LYS A 15 0.171 -1.767 -13.979 1.00 21.45 C ATOM 217 NZ LYS A 15 0.909 -3.050 -14.135 1.00 74.24 N ATOM 0 H LYS A 15 -0.719 1.909 -10.850 1.00 3.11 H new ATOM 0 HA LYS A 15 1.755 0.557 -10.844 1.00 22.22 H new ATOM 0 HB2 LYS A 15 0.612 2.733 -12.669 1.00 12.23 H new ATOM 0 HB3 LYS A 15 2.086 1.853 -13.022 1.00 12.23 H new ATOM 0 HG2 LYS A 15 -0.659 0.563 -12.715 1.00 64.23 H new ATOM 0 HG3 LYS A 15 0.068 0.999 -14.248 1.00 64.23 H new ATOM 0 HD2 LYS A 15 1.966 -0.578 -13.799 1.00 5.43 H new ATOM 0 HD3 LYS A 15 1.244 -1.011 -12.262 1.00 5.43 H new ATOM 0 HE2 LYS A 15 -0.740 -1.942 -13.406 1.00 21.45 H new ATOM 0 HE3 LYS A 15 -0.135 -1.405 -14.961 1.00 21.45 H new ATOM 0 HZ1 LYS A 15 0.253 -3.791 -14.454 1.00 74.24 H new ATOM 0 HZ2 LYS A 15 1.666 -2.932 -14.838 1.00 74.24 H new ATOM 0 HZ3 LYS A 15 1.324 -3.325 -13.222 1.00 74.24 H new ATOM 231 N GLN A 16 1.912 3.855 -10.411 1.00 45.43 N ATOM 232 CA GLN A 16 2.771 5.002 -10.059 1.00 43.15 C ATOM 233 C GLN A 16 3.102 5.036 -8.561 1.00 2.02 C ATOM 234 O GLN A 16 4.138 5.583 -8.161 1.00 35.42 O ATOM 235 CB GLN A 16 2.096 6.319 -10.504 1.00 20.13 C ATOM 236 CG GLN A 16 1.810 6.385 -12.020 1.00 61.52 C ATOM 237 CD GLN A 16 3.058 6.220 -12.900 1.00 21.30 C ATOM 238 OE1 GLN A 16 4.166 6.599 -12.521 1.00 65.02 O ATOM 239 NE2 GLN A 16 2.885 5.669 -14.095 1.00 32.03 N ATOM 0 H GLN A 16 0.941 4.112 -10.589 1.00 45.43 H new ATOM 0 HA GLN A 16 3.717 4.888 -10.589 1.00 43.15 H new ATOM 0 HB2 GLN A 16 1.159 6.439 -9.960 1.00 20.13 H new ATOM 0 HB3 GLN A 16 2.735 7.157 -10.226 1.00 20.13 H new ATOM 0 HG2 GLN A 16 1.091 5.607 -12.278 1.00 61.52 H new ATOM 0 HG3 GLN A 16 1.340 7.342 -12.249 1.00 61.52 H new ATOM 0 HE21 GLN A 16 1.957 5.363 -14.386 1.00 32.03 H new ATOM 0 HE22 GLN A 16 3.681 5.552 -14.722 1.00 32.03 H new ATOM 248 N ALA A 17 2.218 4.442 -7.746 1.00 14.55 N ATOM 249 CA ALA A 17 2.413 4.342 -6.296 1.00 15.10 C ATOM 250 C ALA A 17 3.541 3.353 -5.967 1.00 63.35 C ATOM 251 O ALA A 17 4.436 3.657 -5.174 1.00 13.11 O ATOM 252 CB ALA A 17 1.108 3.929 -5.616 1.00 60.42 C ATOM 0 H ALA A 17 1.350 4.019 -8.075 1.00 14.55 H new ATOM 0 HA ALA A 17 2.705 5.321 -5.915 1.00 15.10 H new ATOM 0 HB1 ALA A 17 1.265 3.858 -4.540 1.00 60.42 H new ATOM 0 HB2 ALA A 17 0.339 4.673 -5.822 1.00 60.42 H new ATOM 0 HB3 ALA A 17 0.788 2.961 -6.001 1.00 60.42 H new ATOM 258 N THR A 18 3.496 2.172 -6.597 1.00 45.45 N ATOM 259 CA THR A 18 4.504 1.113 -6.398 1.00 64.34 C ATOM 260 C THR A 18 5.845 1.488 -7.057 1.00 40.30 C ATOM 261 O THR A 18 6.918 1.103 -6.568 1.00 2.32 O ATOM 262 CB THR A 18 3.983 -0.235 -6.959 1.00 20.35 C ATOM 263 OG1 THR A 18 3.587 -0.068 -8.330 1.00 23.13 O ATOM 264 CG2 THR A 18 2.800 -0.777 -6.135 1.00 3.53 C ATOM 0 H THR A 18 2.762 1.920 -7.259 1.00 45.45 H new ATOM 0 HA THR A 18 4.676 1.007 -5.327 1.00 64.34 H new ATOM 0 HB THR A 18 4.793 -0.961 -6.893 1.00 20.35 H new ATOM 0 HG1 THR A 18 2.894 -0.724 -8.553 1.00 23.13 H new ATOM 0 HG21 THR A 18 2.464 -1.723 -6.560 1.00 3.53 H new ATOM 0 HG22 THR A 18 3.117 -0.935 -5.104 1.00 3.53 H new ATOM 0 HG23 THR A 18 1.981 -0.058 -6.157 1.00 3.53 H new ATOM 272 N ASP A 19 5.749 2.249 -8.165 1.00 44.01 N ATOM 273 CA ASP A 19 6.901 2.868 -8.850 1.00 54.32 C ATOM 274 C ASP A 19 7.633 3.832 -7.902 1.00 23.42 C ATOM 275 O ASP A 19 8.866 3.912 -7.897 1.00 30.42 O ATOM 276 CB ASP A 19 6.413 3.625 -10.115 1.00 32.53 C ATOM 277 CG ASP A 19 7.538 4.308 -10.907 1.00 42.24 C ATOM 278 OD1 ASP A 19 8.280 3.601 -11.619 1.00 41.14 O ATOM 279 OD2 ASP A 19 7.677 5.546 -10.842 1.00 15.21 O ATOM 0 H ASP A 19 4.857 2.454 -8.615 1.00 44.01 H new ATOM 0 HA ASP A 19 7.598 2.085 -9.150 1.00 54.32 H new ATOM 0 HB2 ASP A 19 5.896 2.923 -10.769 1.00 32.53 H new ATOM 0 HB3 ASP A 19 5.684 4.378 -9.817 1.00 32.53 H new ATOM 284 N MET A 20 6.833 4.540 -7.087 1.00 2.10 N ATOM 285 CA MET A 20 7.317 5.502 -6.085 1.00 1.44 C ATOM 286 C MET A 20 8.048 4.763 -4.940 1.00 53.32 C ATOM 287 O MET A 20 9.020 5.274 -4.377 1.00 42.12 O ATOM 288 CB MET A 20 6.119 6.322 -5.523 1.00 44.43 C ATOM 289 CG MET A 20 6.475 7.700 -4.941 1.00 32.10 C ATOM 290 SD MET A 20 6.960 8.887 -6.215 1.00 2.41 S ATOM 291 CE MET A 20 5.560 8.815 -7.343 1.00 64.14 C ATOM 0 H MET A 20 5.816 4.458 -7.107 1.00 2.10 H new ATOM 0 HA MET A 20 8.023 6.184 -6.559 1.00 1.44 H new ATOM 0 HB2 MET A 20 5.390 6.462 -6.322 1.00 44.43 H new ATOM 0 HB3 MET A 20 5.631 5.734 -4.746 1.00 44.43 H new ATOM 0 HG2 MET A 20 5.618 8.091 -4.392 1.00 32.10 H new ATOM 0 HG3 MET A 20 7.289 7.589 -4.224 1.00 32.10 H new ATOM 0 HE1 MET A 20 5.532 9.722 -7.947 1.00 64.14 H new ATOM 0 HE2 MET A 20 5.663 7.948 -7.995 1.00 64.14 H new ATOM 0 HE3 MET A 20 4.636 8.731 -6.771 1.00 64.14 H new ATOM 301 N GLY A 21 7.555 3.550 -4.600 1.00 24.23 N ATOM 302 CA GLY A 21 8.155 2.709 -3.551 1.00 43.40 C ATOM 303 C GLY A 21 7.136 2.165 -2.550 1.00 21.34 C ATOM 304 O GLY A 21 7.520 1.704 -1.470 1.00 22.45 O ATOM 0 H GLY A 21 6.737 3.134 -5.044 1.00 24.23 H new ATOM 0 HA2 GLY A 21 8.675 1.873 -4.019 1.00 43.40 H new ATOM 0 HA3 GLY A 21 8.905 3.290 -3.015 1.00 43.40 H new ATOM 308 N ALA A 22 5.837 2.198 -2.913 1.00 42.21 N ATOM 309 CA ALA A 22 4.748 1.664 -2.063 1.00 23.23 C ATOM 310 C ALA A 22 4.666 0.127 -2.174 1.00 32.14 C ATOM 311 O ALA A 22 5.080 -0.453 -3.187 1.00 71.13 O ATOM 312 CB ALA A 22 3.411 2.312 -2.450 1.00 73.20 C ATOM 0 H ALA A 22 5.513 2.592 -3.796 1.00 42.21 H new ATOM 0 HA ALA A 22 4.966 1.911 -1.024 1.00 23.23 H new ATOM 0 HB1 ALA A 22 2.617 1.912 -1.819 1.00 73.20 H new ATOM 0 HB2 ALA A 22 3.476 3.391 -2.312 1.00 73.20 H new ATOM 0 HB3 ALA A 22 3.189 2.093 -3.495 1.00 73.20 H new ATOM 318 N ILE A 23 4.130 -0.520 -1.122 1.00 73.11 N ATOM 319 CA ILE A 23 4.065 -1.999 -1.018 1.00 30.15 C ATOM 320 C ILE A 23 2.607 -2.492 -1.053 1.00 62.02 C ATOM 321 O ILE A 23 1.663 -1.702 -0.922 1.00 61.32 O ATOM 322 CB ILE A 23 4.746 -2.519 0.308 1.00 72.45 C ATOM 323 CG1 ILE A 23 3.939 -2.056 1.568 1.00 40.24 C ATOM 324 CG2 ILE A 23 6.219 -2.053 0.389 1.00 13.13 C ATOM 325 CD1 ILE A 23 4.471 -2.548 2.905 1.00 5.44 C ATOM 0 H ILE A 23 3.729 -0.037 -0.318 1.00 73.11 H new ATOM 0 HA ILE A 23 4.607 -2.397 -1.876 1.00 30.15 H new ATOM 0 HB ILE A 23 4.739 -3.609 0.288 1.00 72.45 H new ATOM 0 HG12 ILE A 23 3.918 -0.966 1.584 1.00 40.24 H new ATOM 0 HG13 ILE A 23 2.908 -2.393 1.461 1.00 40.24 H new ATOM 0 HG21 ILE A 23 6.668 -2.423 1.311 1.00 13.13 H new ATOM 0 HG22 ILE A 23 6.772 -2.443 -0.466 1.00 13.13 H new ATOM 0 HG23 ILE A 23 6.257 -0.964 0.379 1.00 13.13 H new ATOM 0 HD11 ILE A 23 3.840 -2.170 3.709 1.00 5.44 H new ATOM 0 HD12 ILE A 23 4.465 -3.638 2.920 1.00 5.44 H new ATOM 0 HD13 ILE A 23 5.491 -2.189 3.045 1.00 5.44 H new ATOM 337 N TYR A 24 2.455 -3.818 -1.187 1.00 33.54 N ATOM 338 CA TYR A 24 1.154 -4.499 -1.158 1.00 32.43 C ATOM 339 C TYR A 24 1.114 -5.545 -0.033 1.00 53.13 C ATOM 340 O TYR A 24 2.066 -6.319 0.157 1.00 42.15 O ATOM 341 CB TYR A 24 0.839 -5.150 -2.538 1.00 64.52 C ATOM 342 CG TYR A 24 0.038 -4.234 -3.465 1.00 71.23 C ATOM 343 CD1 TYR A 24 -1.283 -3.905 -3.145 1.00 11.54 C ATOM 344 CD2 TYR A 24 0.580 -3.693 -4.634 1.00 42.05 C ATOM 345 CE1 TYR A 24 -2.027 -3.076 -3.947 1.00 64.51 C ATOM 346 CE2 TYR A 24 -0.170 -2.861 -5.442 1.00 23.25 C ATOM 347 CZ TYR A 24 -1.472 -2.555 -5.094 1.00 2.13 C ATOM 348 OH TYR A 24 -2.218 -1.723 -5.889 1.00 43.42 O ATOM 0 H TYR A 24 3.241 -4.454 -1.320 1.00 33.54 H new ATOM 0 HA TYR A 24 0.384 -3.755 -0.955 1.00 32.43 H new ATOM 0 HB2 TYR A 24 1.775 -5.423 -3.026 1.00 64.52 H new ATOM 0 HB3 TYR A 24 0.282 -6.073 -2.379 1.00 64.52 H new ATOM 0 HD1 TYR A 24 -1.727 -4.312 -2.248 1.00 11.54 H new ATOM 0 HD2 TYR A 24 1.598 -3.928 -4.909 1.00 42.05 H new ATOM 0 HE1 TYR A 24 -3.045 -2.833 -3.679 1.00 64.51 H new ATOM 0 HE2 TYR A 24 0.260 -2.451 -6.344 1.00 23.25 H new ATOM 0 HH TYR A 24 -2.862 -1.233 -5.336 1.00 43.42 H new ATOM 358 N VAL A 25 -0.005 -5.533 0.710 1.00 41.11 N ATOM 359 CA VAL A 25 -0.309 -6.486 1.790 1.00 72.34 C ATOM 360 C VAL A 25 -1.758 -7.002 1.641 1.00 43.34 C ATOM 361 O VAL A 25 -2.529 -6.479 0.828 1.00 71.23 O ATOM 362 CB VAL A 25 -0.106 -5.845 3.224 1.00 52.11 C ATOM 363 CG1 VAL A 25 1.364 -5.427 3.461 1.00 33.23 C ATOM 364 CG2 VAL A 25 -1.064 -4.655 3.467 1.00 4.32 C ATOM 0 H VAL A 25 -0.742 -4.842 0.572 1.00 41.11 H new ATOM 0 HA VAL A 25 0.390 -7.318 1.703 1.00 72.34 H new ATOM 0 HB VAL A 25 -0.354 -6.619 3.950 1.00 52.11 H new ATOM 0 HG11 VAL A 25 1.463 -4.992 4.455 1.00 33.23 H new ATOM 0 HG12 VAL A 25 2.008 -6.303 3.383 1.00 33.23 H new ATOM 0 HG13 VAL A 25 1.658 -4.692 2.712 1.00 33.23 H new ATOM 0 HG21 VAL A 25 -0.891 -4.246 4.462 1.00 4.32 H new ATOM 0 HG22 VAL A 25 -0.881 -3.883 2.720 1.00 4.32 H new ATOM 0 HG23 VAL A 25 -2.096 -4.997 3.390 1.00 4.32 H new ATOM 374 N ASN A 26 -2.102 -8.050 2.404 1.00 0.30 N ATOM 375 CA ASN A 26 -3.496 -8.556 2.507 1.00 74.04 C ATOM 376 C ASN A 26 -4.108 -8.110 3.840 1.00 41.30 C ATOM 377 O ASN A 26 -3.509 -7.296 4.555 1.00 73.21 O ATOM 378 CB ASN A 26 -3.548 -10.102 2.352 1.00 25.05 C ATOM 379 CG ASN A 26 -2.621 -10.847 3.311 1.00 31.32 C ATOM 380 OD1 ASN A 26 -2.971 -11.117 4.451 1.00 31.30 O ATOM 381 ND2 ASN A 26 -1.426 -11.179 2.854 1.00 11.02 N ATOM 0 H ASN A 26 -1.433 -8.574 2.968 1.00 0.30 H new ATOM 0 HA ASN A 26 -4.084 -8.133 1.692 1.00 74.04 H new ATOM 0 HB2 ASN A 26 -4.571 -10.440 2.514 1.00 25.05 H new ATOM 0 HB3 ASN A 26 -3.284 -10.365 1.328 1.00 25.05 H new ATOM 0 HD21 ASN A 26 -0.769 -11.674 3.457 1.00 11.02 H new ATOM 0 HD22 ASN A 26 -1.161 -10.941 1.898 1.00 11.02 H new ATOM 388 N SER A 27 -5.299 -8.656 4.179 1.00 23.35 N ATOM 389 CA SER A 27 -6.079 -8.235 5.363 1.00 72.33 C ATOM 390 C SER A 27 -5.405 -8.664 6.687 1.00 22.14 C ATOM 391 O SER A 27 -5.848 -8.265 7.770 1.00 34.12 O ATOM 392 CB SER A 27 -7.528 -8.781 5.271 1.00 12.43 C ATOM 393 OG SER A 27 -8.373 -8.264 6.296 1.00 12.43 O ATOM 0 H SER A 27 -5.744 -9.399 3.640 1.00 23.35 H new ATOM 0 HA SER A 27 -6.114 -7.146 5.367 1.00 72.33 H new ATOM 0 HB2 SER A 27 -7.947 -8.528 4.297 1.00 12.43 H new ATOM 0 HB3 SER A 27 -7.508 -9.869 5.336 1.00 12.43 H new ATOM 0 HG SER A 27 -7.846 -8.111 7.108 1.00 12.43 H new ATOM 399 N LYS A 28 -4.346 -9.493 6.598 1.00 42.35 N ATOM 400 CA LYS A 28 -3.514 -9.857 7.760 1.00 15.33 C ATOM 401 C LYS A 28 -2.308 -8.918 7.830 1.00 14.14 C ATOM 402 O LYS A 28 -2.009 -8.363 8.884 1.00 15.02 O ATOM 403 CB LYS A 28 -3.061 -11.338 7.679 1.00 20.12 C ATOM 404 CG LYS A 28 -4.214 -12.330 7.412 1.00 0.22 C ATOM 405 CD LYS A 28 -5.349 -12.260 8.467 1.00 23.21 C ATOM 406 CE LYS A 28 -6.576 -13.103 8.071 1.00 32.33 C ATOM 407 NZ LYS A 28 -6.254 -14.547 7.914 1.00 62.53 N ATOM 0 H LYS A 28 -4.046 -9.926 5.725 1.00 42.35 H new ATOM 0 HA LYS A 28 -4.105 -9.749 8.670 1.00 15.33 H new ATOM 0 HB2 LYS A 28 -2.318 -11.438 6.888 1.00 20.12 H new ATOM 0 HB3 LYS A 28 -2.570 -11.609 8.614 1.00 20.12 H new ATOM 0 HG2 LYS A 28 -4.633 -12.130 6.426 1.00 0.22 H new ATOM 0 HG3 LYS A 28 -3.813 -13.343 7.389 1.00 0.22 H new ATOM 0 HD2 LYS A 28 -4.969 -12.607 9.428 1.00 23.21 H new ATOM 0 HD3 LYS A 28 -5.653 -11.222 8.600 1.00 23.21 H new ATOM 0 HE2 LYS A 28 -7.351 -12.988 8.829 1.00 32.33 H new ATOM 0 HE3 LYS A 28 -6.986 -12.723 7.136 1.00 32.33 H new ATOM 0 HZ1 LYS A 28 -7.117 -15.070 7.664 1.00 62.53 H new ATOM 0 HZ2 LYS A 28 -5.547 -14.665 7.160 1.00 62.53 H new ATOM 0 HZ3 LYS A 28 -5.872 -14.917 8.808 1.00 62.53 H new ATOM 421 N GLY A 29 -1.636 -8.709 6.684 1.00 14.12 N ATOM 422 CA GLY A 29 -0.491 -7.786 6.604 1.00 74.41 C ATOM 423 C GLY A 29 0.740 -8.407 5.978 1.00 52.44 C ATOM 424 O GLY A 29 1.806 -7.799 5.986 1.00 34.34 O ATOM 0 H GLY A 29 -1.866 -9.166 5.802 1.00 14.12 H new ATOM 0 HA2 GLY A 29 -0.781 -6.909 6.025 1.00 74.41 H new ATOM 0 HA3 GLY A 29 -0.243 -7.438 7.607 1.00 74.41 H new ATOM 428 N ASP A 30 0.592 -9.616 5.429 1.00 60.45 N ATOM 429 CA ASP A 30 1.675 -10.326 4.715 1.00 72.42 C ATOM 430 C ASP A 30 1.750 -9.853 3.257 1.00 31.43 C ATOM 431 O ASP A 30 0.802 -9.244 2.755 1.00 71.11 O ATOM 432 CB ASP A 30 1.410 -11.852 4.729 1.00 65.30 C ATOM 433 CG ASP A 30 1.289 -12.441 6.135 1.00 4.33 C ATOM 434 OD1 ASP A 30 0.263 -12.177 6.794 1.00 23.31 O ATOM 435 OD2 ASP A 30 2.198 -13.181 6.571 1.00 2.14 O ATOM 0 H ASP A 30 -0.284 -10.138 5.464 1.00 60.45 H new ATOM 0 HA ASP A 30 2.616 -10.109 5.220 1.00 72.42 H new ATOM 0 HB2 ASP A 30 0.492 -12.058 4.178 1.00 65.30 H new ATOM 0 HB3 ASP A 30 2.219 -12.357 4.201 1.00 65.30 H new ATOM 440 N ARG A 31 2.879 -10.160 2.587 1.00 33.43 N ATOM 441 CA ARG A 31 3.021 -10.000 1.119 1.00 41.21 C ATOM 442 C ARG A 31 1.913 -10.766 0.377 1.00 0.21 C ATOM 443 O ARG A 31 1.563 -11.893 0.747 1.00 65.40 O ATOM 444 CB ARG A 31 4.388 -10.546 0.613 1.00 75.24 C ATOM 445 CG ARG A 31 5.649 -9.784 1.050 1.00 23.41 C ATOM 446 CD ARG A 31 5.824 -8.406 0.362 1.00 13.51 C ATOM 447 NE ARG A 31 4.983 -7.366 0.976 1.00 74.41 N ATOM 448 CZ ARG A 31 5.338 -6.627 2.035 1.00 63.51 C ATOM 449 NH1 ARG A 31 6.536 -6.768 2.615 1.00 32.23 N ATOM 450 NH2 ARG A 31 4.474 -5.765 2.529 1.00 74.23 N ATOM 0 H ARG A 31 3.716 -10.524 3.042 1.00 33.43 H new ATOM 0 HA ARG A 31 2.952 -8.931 0.916 1.00 41.21 H new ATOM 0 HB2 ARG A 31 4.484 -11.579 0.946 1.00 75.24 H new ATOM 0 HB3 ARG A 31 4.363 -10.563 -0.477 1.00 75.24 H new ATOM 0 HG2 ARG A 31 5.617 -9.638 2.130 1.00 23.41 H new ATOM 0 HG3 ARG A 31 6.524 -10.398 0.838 1.00 23.41 H new ATOM 0 HD2 ARG A 31 6.870 -8.104 0.418 1.00 13.51 H new ATOM 0 HD3 ARG A 31 5.574 -8.495 -0.695 1.00 13.51 H new ATOM 0 HE ARG A 31 4.065 -7.196 0.566 1.00 74.41 H new ATOM 0 HH11 ARG A 31 7.202 -7.450 2.251 1.00 32.23 H new ATOM 0 HH12 ARG A 31 6.783 -6.193 3.421 1.00 32.23 H new ATOM 0 HH21 ARG A 31 3.551 -5.668 2.105 1.00 74.23 H new ATOM 0 HH22 ARG A 31 4.728 -5.194 3.335 1.00 74.23 H new ATOM 464 N ILE A 32 1.358 -10.148 -0.663 1.00 73.13 N ATOM 465 CA ILE A 32 0.503 -10.857 -1.628 1.00 64.41 C ATOM 466 C ILE A 32 1.310 -11.136 -2.907 1.00 13.33 C ATOM 467 O ILE A 32 1.303 -12.257 -3.426 1.00 53.20 O ATOM 468 CB ILE A 32 -0.824 -10.068 -1.952 1.00 21.22 C ATOM 469 CG1 ILE A 32 -0.538 -8.665 -2.567 1.00 51.23 C ATOM 470 CG2 ILE A 32 -1.690 -9.929 -0.684 1.00 1.11 C ATOM 471 CD1 ILE A 32 -1.767 -7.896 -3.012 1.00 13.50 C ATOM 0 H ILE A 32 1.482 -9.156 -0.864 1.00 73.13 H new ATOM 0 HA ILE A 32 0.191 -11.800 -1.179 1.00 64.41 H new ATOM 0 HB ILE A 32 -1.370 -10.646 -2.698 1.00 21.22 H new ATOM 0 HG12 ILE A 32 0.000 -8.066 -1.832 1.00 51.23 H new ATOM 0 HG13 ILE A 32 0.124 -8.789 -3.424 1.00 51.23 H new ATOM 0 HG21 ILE A 32 -2.602 -9.382 -0.924 1.00 1.11 H new ATOM 0 HG22 ILE A 32 -1.949 -10.919 -0.310 1.00 1.11 H new ATOM 0 HG23 ILE A 32 -1.132 -9.387 0.080 1.00 1.11 H new ATOM 0 HD11 ILE A 32 -1.464 -6.934 -3.425 1.00 13.50 H new ATOM 0 HD12 ILE A 32 -2.298 -8.467 -3.774 1.00 13.50 H new ATOM 0 HD13 ILE A 32 -2.424 -7.733 -2.157 1.00 13.50 H new ATOM 483 N VAL A 33 2.071 -10.122 -3.339 1.00 53.11 N ATOM 484 CA VAL A 33 2.769 -10.102 -4.628 1.00 31.24 C ATOM 485 C VAL A 33 4.098 -9.337 -4.464 1.00 73.11 C ATOM 486 O VAL A 33 4.299 -8.635 -3.460 1.00 35.42 O ATOM 487 CB VAL A 33 1.859 -9.415 -5.724 1.00 14.43 C ATOM 488 CG1 VAL A 33 1.662 -7.906 -5.451 1.00 62.12 C ATOM 489 CG2 VAL A 33 2.366 -9.678 -7.160 1.00 44.50 C ATOM 0 H VAL A 33 2.221 -9.276 -2.790 1.00 53.11 H new ATOM 0 HA VAL A 33 2.980 -11.121 -4.953 1.00 31.24 H new ATOM 0 HB VAL A 33 0.878 -9.884 -5.649 1.00 14.43 H new ATOM 0 HG11 VAL A 33 1.031 -7.475 -6.228 1.00 62.12 H new ATOM 0 HG12 VAL A 33 1.185 -7.771 -4.480 1.00 62.12 H new ATOM 0 HG13 VAL A 33 2.631 -7.407 -5.452 1.00 62.12 H new ATOM 0 HG21 VAL A 33 1.707 -9.185 -7.875 1.00 44.50 H new ATOM 0 HG22 VAL A 33 3.377 -9.284 -7.267 1.00 44.50 H new ATOM 0 HG23 VAL A 33 2.373 -10.751 -7.353 1.00 44.50 H new ATOM 499 N ASN A 34 4.995 -9.515 -5.444 1.00 61.20 N ATOM 500 CA ASN A 34 6.247 -8.746 -5.562 1.00 32.11 C ATOM 501 C ASN A 34 5.921 -7.245 -5.640 1.00 12.42 C ATOM 502 O ASN A 34 6.483 -6.424 -4.901 1.00 42.32 O ATOM 503 CB ASN A 34 7.021 -9.220 -6.839 1.00 51.22 C ATOM 504 CG ASN A 34 8.484 -8.741 -6.975 1.00 31.23 C ATOM 505 OD1 ASN A 34 8.809 -7.509 -6.598 1.00 73.11 O flip ATOM 506 ND2 ASN A 34 9.329 -9.476 -7.482 1.00 73.42 N flip ATOM 0 H ASN A 34 4.873 -10.204 -6.186 1.00 61.20 H new ATOM 0 HA ASN A 34 6.877 -8.915 -4.689 1.00 32.11 H new ATOM 0 HB2 ASN A 34 7.016 -10.310 -6.856 1.00 51.22 H new ATOM 0 HB3 ASN A 34 6.469 -8.884 -7.717 1.00 51.22 H new ATOM 0 HD21 ASN A 34 9.076 -10.421 -7.770 1.00 73.42 H new ATOM 0 HD22 ASN A 34 10.283 -9.141 -7.614 1.00 73.42 H new ATOM 513 N GLU A 35 4.991 -6.931 -6.552 1.00 32.43 N ATOM 514 CA GLU A 35 4.587 -5.560 -6.870 1.00 50.21 C ATOM 515 C GLU A 35 3.382 -5.629 -7.841 1.00 64.41 C ATOM 516 O GLU A 35 2.984 -6.723 -8.263 1.00 23.55 O ATOM 517 CB GLU A 35 5.806 -4.806 -7.502 1.00 34.34 C ATOM 518 CG GLU A 35 5.689 -3.280 -7.525 1.00 31.23 C ATOM 519 CD GLU A 35 6.923 -2.592 -8.114 1.00 11.32 C ATOM 520 OE1 GLU A 35 7.916 -2.403 -7.375 1.00 4.44 O ATOM 521 OE2 GLU A 35 6.913 -2.257 -9.313 1.00 0.42 O ATOM 0 H GLU A 35 4.492 -7.635 -7.096 1.00 32.43 H new ATOM 0 HA GLU A 35 4.284 -5.012 -5.978 1.00 50.21 H new ATOM 0 HB2 GLU A 35 6.706 -5.077 -6.950 1.00 34.34 H new ATOM 0 HB3 GLU A 35 5.941 -5.159 -8.524 1.00 34.34 H new ATOM 0 HG2 GLU A 35 4.811 -2.998 -8.106 1.00 31.23 H new ATOM 0 HG3 GLU A 35 5.529 -2.918 -6.509 1.00 31.23 H new ATOM 528 N SER A 36 2.801 -4.472 -8.211 1.00 74.12 N ATOM 529 CA SER A 36 1.728 -4.401 -9.231 1.00 53.42 C ATOM 530 C SER A 36 2.348 -4.405 -10.655 1.00 44.24 C ATOM 531 O SER A 36 2.011 -3.562 -11.502 1.00 23.43 O ATOM 532 CB SER A 36 0.859 -3.134 -8.989 1.00 61.55 C ATOM 533 OG SER A 36 1.646 -1.955 -8.995 1.00 14.24 O ATOM 0 H SER A 36 3.056 -3.566 -7.818 1.00 74.12 H new ATOM 0 HA SER A 36 1.082 -5.275 -9.147 1.00 53.42 H new ATOM 0 HB2 SER A 36 0.092 -3.065 -9.761 1.00 61.55 H new ATOM 0 HB3 SER A 36 0.342 -3.223 -8.033 1.00 61.55 H new ATOM 0 HG SER A 36 1.089 -1.189 -8.743 1.00 14.24 H new ATOM 539 N ASN A 37 3.232 -5.407 -10.907 1.00 21.11 N ATOM 540 CA ASN A 37 4.008 -5.532 -12.158 1.00 14.44 C ATOM 541 C ASN A 37 3.062 -5.684 -13.358 1.00 25.22 C ATOM 542 O ASN A 37 3.071 -4.868 -14.281 1.00 41.41 O ATOM 543 CB ASN A 37 4.983 -6.745 -12.085 1.00 22.41 C ATOM 544 CG ASN A 37 5.955 -6.676 -10.902 1.00 1.44 C ATOM 545 OD1 ASN A 37 5.691 -7.220 -9.827 1.00 44.53 O ATOM 546 ND2 ASN A 37 7.081 -5.999 -11.084 1.00 73.41 N ATOM 0 H ASN A 37 3.423 -6.153 -10.239 1.00 21.11 H new ATOM 0 HA ASN A 37 4.598 -4.624 -12.286 1.00 14.44 H new ATOM 0 HB2 ASN A 37 4.402 -7.665 -12.015 1.00 22.41 H new ATOM 0 HB3 ASN A 37 5.554 -6.799 -13.012 1.00 22.41 H new ATOM 0 HD21 ASN A 37 7.756 -5.918 -10.323 1.00 73.41 H new ATOM 0 HD22 ASN A 37 7.272 -5.560 -11.984 1.00 73.41 H new ATOM 553 N VAL A 38 2.212 -6.714 -13.295 1.00 74.25 N ATOM 554 CA VAL A 38 1.175 -6.978 -14.306 1.00 13.21 C ATOM 555 C VAL A 38 -0.100 -7.475 -13.598 1.00 31.43 C ATOM 556 O VAL A 38 -0.010 -8.038 -12.493 1.00 33.04 O ATOM 557 CB VAL A 38 1.673 -8.014 -15.391 1.00 14.13 C ATOM 558 CG1 VAL A 38 1.968 -9.402 -14.778 1.00 11.23 C ATOM 559 CG2 VAL A 38 0.686 -8.120 -16.581 1.00 72.23 C ATOM 0 H VAL A 38 2.222 -7.395 -12.536 1.00 74.25 H new ATOM 0 HA VAL A 38 0.953 -6.053 -14.838 1.00 13.21 H new ATOM 0 HB VAL A 38 2.615 -7.629 -15.781 1.00 14.13 H new ATOM 0 HG11 VAL A 38 2.307 -10.081 -15.561 1.00 11.23 H new ATOM 0 HG12 VAL A 38 2.744 -9.307 -14.019 1.00 11.23 H new ATOM 0 HG13 VAL A 38 1.061 -9.799 -14.322 1.00 11.23 H new ATOM 0 HG21 VAL A 38 1.065 -8.842 -17.304 1.00 72.23 H new ATOM 0 HG22 VAL A 38 -0.288 -8.447 -16.218 1.00 72.23 H new ATOM 0 HG23 VAL A 38 0.586 -7.145 -17.059 1.00 72.23 H new ATOM 569 N TYR A 39 -1.271 -7.256 -14.237 1.00 1.24 N ATOM 570 CA TYR A 39 -2.591 -7.652 -13.706 1.00 14.44 C ATOM 571 C TYR A 39 -2.632 -9.153 -13.375 1.00 64.52 C ATOM 572 O TYR A 39 -3.274 -9.549 -12.415 1.00 43.20 O ATOM 573 CB TYR A 39 -3.727 -7.297 -14.719 1.00 44.13 C ATOM 574 CG TYR A 39 -3.635 -8.039 -16.075 1.00 3.24 C ATOM 575 CD1 TYR A 39 -2.888 -7.524 -17.137 1.00 12.21 C ATOM 576 CD2 TYR A 39 -4.273 -9.275 -16.275 1.00 34.32 C ATOM 577 CE1 TYR A 39 -2.783 -8.201 -18.338 1.00 74.21 C ATOM 578 CE2 TYR A 39 -4.160 -9.954 -17.468 1.00 1.22 C ATOM 579 CZ TYR A 39 -3.417 -9.414 -18.496 1.00 45.24 C ATOM 580 OH TYR A 39 -3.301 -10.096 -19.689 1.00 13.01 O ATOM 0 H TYR A 39 -1.325 -6.795 -15.145 1.00 1.24 H new ATOM 0 HA TYR A 39 -2.754 -7.093 -12.785 1.00 14.44 H new ATOM 0 HB2 TYR A 39 -4.689 -7.524 -14.260 1.00 44.13 H new ATOM 0 HB3 TYR A 39 -3.708 -6.223 -14.905 1.00 44.13 H new ATOM 0 HD1 TYR A 39 -2.382 -6.577 -17.018 1.00 12.21 H new ATOM 0 HD2 TYR A 39 -4.864 -9.701 -15.477 1.00 34.32 H new ATOM 0 HE1 TYR A 39 -2.206 -7.781 -19.149 1.00 74.21 H new ATOM 0 HE2 TYR A 39 -4.652 -10.907 -17.598 1.00 1.22 H new ATOM 0 HH TYR A 39 -3.806 -10.934 -19.637 1.00 13.01 H new ATOM 590 N THR A 40 -1.926 -9.964 -14.196 1.00 34.31 N ATOM 591 CA THR A 40 -1.909 -11.423 -14.072 1.00 21.32 C ATOM 592 C THR A 40 -1.335 -11.842 -12.707 1.00 11.53 C ATOM 593 O THR A 40 -2.028 -12.460 -11.904 1.00 11.04 O ATOM 594 CB THR A 40 -1.075 -12.071 -15.231 1.00 21.05 C ATOM 595 OG1 THR A 40 -1.429 -11.466 -16.489 1.00 14.11 O ATOM 596 CG2 THR A 40 -1.308 -13.590 -15.319 1.00 44.02 C ATOM 0 H THR A 40 -1.353 -9.614 -14.964 1.00 34.31 H new ATOM 0 HA THR A 40 -2.936 -11.780 -14.145 1.00 21.32 H new ATOM 0 HB THR A 40 -0.021 -11.897 -15.014 1.00 21.05 H new ATOM 0 HG1 THR A 40 -2.331 -11.088 -16.428 1.00 14.11 H new ATOM 0 HG21 THR A 40 -0.713 -14.003 -16.134 1.00 44.02 H new ATOM 0 HG22 THR A 40 -1.012 -14.058 -14.380 1.00 44.02 H new ATOM 0 HG23 THR A 40 -2.364 -13.786 -15.505 1.00 44.02 H new ATOM 604 N THR A 41 -0.084 -11.427 -12.448 1.00 50.43 N ATOM 605 CA THR A 41 0.652 -11.774 -11.225 1.00 45.43 C ATOM 606 C THR A 41 -0.029 -11.184 -9.970 1.00 3.24 C ATOM 607 O THR A 41 -0.119 -11.853 -8.949 1.00 60.15 O ATOM 608 CB THR A 41 2.130 -11.275 -11.328 1.00 24.14 C ATOM 609 OG1 THR A 41 2.684 -11.720 -12.573 1.00 42.52 O ATOM 610 CG2 THR A 41 3.014 -11.788 -10.178 1.00 70.30 C ATOM 0 H THR A 41 0.448 -10.837 -13.088 1.00 50.43 H new ATOM 0 HA THR A 41 0.648 -12.859 -11.125 1.00 45.43 H new ATOM 0 HB THR A 41 2.112 -10.187 -11.266 1.00 24.14 H new ATOM 0 HG1 THR A 41 3.611 -11.410 -12.648 1.00 42.52 H new ATOM 0 HG21 THR A 41 4.029 -11.410 -10.302 1.00 70.30 H new ATOM 0 HG22 THR A 41 2.611 -11.441 -9.227 1.00 70.30 H new ATOM 0 HG23 THR A 41 3.029 -12.878 -10.189 1.00 70.30 H new ATOM 618 N PHE A 42 -0.538 -9.943 -10.097 1.00 61.25 N ATOM 619 CA PHE A 42 -1.172 -9.204 -8.987 1.00 11.44 C ATOM 620 C PHE A 42 -2.512 -9.849 -8.565 1.00 30.21 C ATOM 621 O PHE A 42 -2.745 -10.098 -7.377 1.00 52.31 O ATOM 622 CB PHE A 42 -1.389 -7.722 -9.405 1.00 63.34 C ATOM 623 CG PHE A 42 -2.143 -6.887 -8.371 1.00 55.24 C ATOM 624 CD1 PHE A 42 -1.576 -6.628 -7.124 1.00 73.52 C ATOM 625 CD2 PHE A 42 -3.421 -6.380 -8.633 1.00 31.25 C ATOM 626 CE1 PHE A 42 -2.258 -5.896 -6.178 1.00 34.14 C ATOM 627 CE2 PHE A 42 -4.098 -5.641 -7.684 1.00 43.41 C ATOM 628 CZ PHE A 42 -3.517 -5.400 -6.455 1.00 43.25 C ATOM 0 H PHE A 42 -0.521 -9.423 -10.974 1.00 61.25 H new ATOM 0 HA PHE A 42 -0.506 -9.245 -8.125 1.00 11.44 H new ATOM 0 HB2 PHE A 42 -0.418 -7.262 -9.590 1.00 63.34 H new ATOM 0 HB3 PHE A 42 -1.938 -7.698 -10.346 1.00 63.34 H new ATOM 0 HD1 PHE A 42 -0.590 -7.006 -6.897 1.00 73.52 H new ATOM 0 HD2 PHE A 42 -3.884 -6.570 -9.590 1.00 31.25 H new ATOM 0 HE1 PHE A 42 -1.806 -5.709 -5.215 1.00 34.14 H new ATOM 0 HE2 PHE A 42 -5.081 -5.252 -7.903 1.00 43.41 H new ATOM 0 HZ PHE A 42 -4.047 -4.824 -5.711 1.00 43.25 H new ATOM 638 N ARG A 43 -3.381 -10.098 -9.556 1.00 54.41 N ATOM 639 CA ARG A 43 -4.721 -10.681 -9.347 1.00 54.53 C ATOM 640 C ARG A 43 -4.598 -12.104 -8.790 1.00 34.31 C ATOM 641 O ARG A 43 -5.181 -12.417 -7.748 1.00 11.21 O ATOM 642 CB ARG A 43 -5.495 -10.683 -10.687 1.00 25.22 C ATOM 643 CG ARG A 43 -6.915 -11.284 -10.651 1.00 51.13 C ATOM 644 CD ARG A 43 -7.562 -11.274 -12.045 1.00 43.11 C ATOM 645 NE ARG A 43 -8.929 -11.819 -12.043 1.00 1.32 N ATOM 646 CZ ARG A 43 -10.026 -11.177 -12.479 1.00 24.53 C ATOM 647 NH1 ARG A 43 -9.953 -9.932 -12.962 1.00 50.11 N ATOM 648 NH2 ARG A 43 -11.190 -11.799 -12.452 1.00 40.13 N ATOM 0 H ARG A 43 -3.174 -9.900 -10.535 1.00 54.41 H new ATOM 0 HA ARG A 43 -5.270 -10.080 -8.622 1.00 54.53 H new ATOM 0 HB2 ARG A 43 -5.567 -9.655 -11.043 1.00 25.22 H new ATOM 0 HB3 ARG A 43 -4.908 -11.235 -11.421 1.00 25.22 H new ATOM 0 HG2 ARG A 43 -6.870 -12.307 -10.276 1.00 51.13 H new ATOM 0 HG3 ARG A 43 -7.535 -10.717 -9.956 1.00 51.13 H new ATOM 0 HD2 ARG A 43 -7.584 -10.252 -12.423 1.00 43.11 H new ATOM 0 HD3 ARG A 43 -6.945 -11.855 -12.731 1.00 43.11 H new ATOM 0 HE ARG A 43 -9.054 -12.764 -11.680 1.00 1.32 H new ATOM 0 HH11 ARG A 43 -9.053 -9.453 -13.004 1.00 50.11 H new ATOM 0 HH12 ARG A 43 -10.797 -9.461 -13.288 1.00 50.11 H new ATOM 0 HH21 ARG A 43 -11.249 -12.756 -12.103 1.00 40.13 H new ATOM 0 HH22 ARG A 43 -12.030 -11.323 -12.780 1.00 40.13 H new ATOM 662 N ASN A 44 -3.788 -12.936 -9.483 1.00 72.14 N ATOM 663 CA ASN A 44 -3.511 -14.334 -9.086 1.00 20.45 C ATOM 664 C ASN A 44 -2.871 -14.415 -7.695 1.00 65.40 C ATOM 665 O ASN A 44 -3.012 -15.425 -7.018 1.00 63.21 O ATOM 666 CB ASN A 44 -2.598 -15.039 -10.123 1.00 41.01 C ATOM 667 CG ASN A 44 -3.290 -15.322 -11.459 1.00 23.55 C ATOM 668 OD1 ASN A 44 -4.491 -15.596 -11.509 1.00 22.23 O ATOM 669 ND2 ASN A 44 -2.540 -15.245 -12.548 1.00 10.42 N ATOM 0 H ASN A 44 -3.306 -12.655 -10.337 1.00 72.14 H new ATOM 0 HA ASN A 44 -4.472 -14.848 -9.051 1.00 20.45 H new ATOM 0 HB2 ASN A 44 -1.720 -14.418 -10.303 1.00 41.01 H new ATOM 0 HB3 ASN A 44 -2.243 -15.979 -9.701 1.00 41.01 H new ATOM 0 HD21 ASN A 44 -2.953 -15.415 -13.465 1.00 10.42 H new ATOM 0 HD22 ASN A 44 -1.549 -15.016 -12.470 1.00 10.42 H new ATOM 676 N ALA A 45 -2.165 -13.347 -7.295 1.00 74.14 N ATOM 677 CA ALA A 45 -1.554 -13.237 -5.960 1.00 15.40 C ATOM 678 C ALA A 45 -2.620 -13.114 -4.859 1.00 62.10 C ATOM 679 O ALA A 45 -2.478 -13.713 -3.801 1.00 42.21 O ATOM 680 CB ALA A 45 -0.615 -12.042 -5.914 1.00 33.34 C ATOM 0 H ALA A 45 -2.001 -12.534 -7.888 1.00 74.14 H new ATOM 0 HA ALA A 45 -0.988 -14.150 -5.775 1.00 15.40 H new ATOM 0 HB1 ALA A 45 -0.168 -11.969 -4.923 1.00 33.34 H new ATOM 0 HB2 ALA A 45 0.171 -12.168 -6.658 1.00 33.34 H new ATOM 0 HB3 ALA A 45 -1.174 -11.131 -6.128 1.00 33.34 H new ATOM 686 N ILE A 46 -3.680 -12.328 -5.124 1.00 73.31 N ATOM 687 CA ILE A 46 -4.799 -12.139 -4.174 1.00 40.45 C ATOM 688 C ILE A 46 -5.648 -13.434 -4.102 1.00 31.13 C ATOM 689 O ILE A 46 -6.138 -13.822 -3.038 1.00 15.34 O ATOM 690 CB ILE A 46 -5.698 -10.916 -4.590 1.00 75.53 C ATOM 691 CG1 ILE A 46 -4.820 -9.654 -4.867 1.00 71.03 C ATOM 692 CG2 ILE A 46 -6.761 -10.608 -3.504 1.00 35.34 C ATOM 693 CD1 ILE A 46 -5.570 -8.489 -5.482 1.00 72.11 C ATOM 0 H ILE A 46 -3.788 -11.808 -5.995 1.00 73.31 H new ATOM 0 HA ILE A 46 -4.383 -11.926 -3.189 1.00 40.45 H new ATOM 0 HB ILE A 46 -6.220 -11.184 -5.509 1.00 75.53 H new ATOM 0 HG12 ILE A 46 -4.371 -9.326 -3.929 1.00 71.03 H new ATOM 0 HG13 ILE A 46 -4.002 -9.934 -5.531 1.00 71.03 H new ATOM 0 HG21 ILE A 46 -7.367 -9.759 -3.819 1.00 35.34 H new ATOM 0 HG22 ILE A 46 -7.401 -11.479 -3.364 1.00 35.34 H new ATOM 0 HG23 ILE A 46 -6.263 -10.370 -2.564 1.00 35.34 H new ATOM 0 HD11 ILE A 46 -4.884 -7.657 -5.640 1.00 72.11 H new ATOM 0 HD12 ILE A 46 -5.996 -8.794 -6.438 1.00 72.11 H new ATOM 0 HD13 ILE A 46 -6.370 -8.177 -4.811 1.00 72.11 H new ATOM 705 N LEU A 47 -5.774 -14.106 -5.264 1.00 33.45 N ATOM 706 CA LEU A 47 -6.444 -15.419 -5.383 1.00 55.01 C ATOM 707 C LEU A 47 -5.626 -16.510 -4.649 1.00 62.32 C ATOM 708 O LEU A 47 -6.185 -17.450 -4.078 1.00 63.35 O ATOM 709 CB LEU A 47 -6.623 -15.792 -6.882 1.00 20.13 C ATOM 710 CG LEU A 47 -7.360 -14.735 -7.773 1.00 72.32 C ATOM 711 CD1 LEU A 47 -7.350 -15.148 -9.256 1.00 12.52 C ATOM 712 CD2 LEU A 47 -8.793 -14.466 -7.274 1.00 44.43 C ATOM 0 H LEU A 47 -5.413 -13.753 -6.150 1.00 33.45 H new ATOM 0 HA LEU A 47 -7.428 -15.355 -4.918 1.00 55.01 H new ATOM 0 HB2 LEU A 47 -5.637 -15.974 -7.310 1.00 20.13 H new ATOM 0 HB3 LEU A 47 -7.173 -16.731 -6.938 1.00 20.13 H new ATOM 0 HG LEU A 47 -6.808 -13.799 -7.687 1.00 72.32 H new ATOM 0 HD11 LEU A 47 -7.869 -14.394 -9.847 1.00 12.52 H new ATOM 0 HD12 LEU A 47 -6.320 -15.235 -9.602 1.00 12.52 H new ATOM 0 HD13 LEU A 47 -7.854 -16.108 -9.370 1.00 12.52 H new ATOM 0 HD21 LEU A 47 -9.270 -13.728 -7.918 1.00 44.43 H new ATOM 0 HD22 LEU A 47 -9.366 -15.393 -7.298 1.00 44.43 H new ATOM 0 HD23 LEU A 47 -8.757 -14.087 -6.253 1.00 44.43 H new ATOM 724 N LYS A 48 -4.292 -16.338 -4.684 1.00 2.01 N ATOM 725 CA LYS A 48 -3.298 -17.209 -4.019 1.00 64.43 C ATOM 726 C LYS A 48 -3.428 -17.131 -2.488 1.00 33.44 C ATOM 727 O LYS A 48 -3.237 -18.134 -1.787 1.00 23.43 O ATOM 728 CB LYS A 48 -1.879 -16.761 -4.469 1.00 2.14 C ATOM 729 CG LYS A 48 -0.678 -17.280 -3.660 1.00 54.34 C ATOM 730 CD LYS A 48 0.619 -16.536 -4.052 1.00 13.41 C ATOM 731 CE LYS A 48 1.818 -16.931 -3.196 1.00 2.43 C ATOM 732 NZ LYS A 48 2.171 -18.365 -3.350 1.00 54.13 N ATOM 0 H LYS A 48 -3.860 -15.566 -5.191 1.00 2.01 H new ATOM 0 HA LYS A 48 -3.473 -18.246 -4.305 1.00 64.43 H new ATOM 0 HB2 LYS A 48 -1.743 -17.068 -5.506 1.00 2.14 H new ATOM 0 HB3 LYS A 48 -1.850 -15.672 -4.452 1.00 2.14 H new ATOM 0 HG2 LYS A 48 -0.869 -17.149 -2.595 1.00 54.34 H new ATOM 0 HG3 LYS A 48 -0.554 -18.349 -3.832 1.00 54.34 H new ATOM 0 HD2 LYS A 48 0.845 -16.739 -5.099 1.00 13.41 H new ATOM 0 HD3 LYS A 48 0.455 -15.462 -3.964 1.00 13.41 H new ATOM 0 HE2 LYS A 48 2.676 -16.316 -3.470 1.00 2.43 H new ATOM 0 HE3 LYS A 48 1.598 -16.723 -2.149 1.00 2.43 H new ATOM 0 HZ1 LYS A 48 3.001 -18.583 -2.763 1.00 54.13 H new ATOM 0 HZ2 LYS A 48 1.369 -18.954 -3.048 1.00 54.13 H new ATOM 0 HZ3 LYS A 48 2.390 -18.563 -4.347 1.00 54.13 H new ATOM 746 N GLN A 49 -3.746 -15.931 -1.972 1.00 53.10 N ATOM 747 CA GLN A 49 -3.973 -15.729 -0.530 1.00 20.11 C ATOM 748 C GLN A 49 -5.370 -16.246 -0.168 1.00 11.25 C ATOM 749 O GLN A 49 -6.233 -16.386 -1.047 1.00 65.45 O ATOM 750 CB GLN A 49 -3.841 -14.230 -0.125 1.00 44.10 C ATOM 751 CG GLN A 49 -2.616 -13.504 -0.714 1.00 42.22 C ATOM 752 CD GLN A 49 -1.272 -14.244 -0.560 1.00 14.14 C ATOM 753 OE1 GLN A 49 -1.028 -14.952 0.413 1.00 61.33 O ATOM 754 NE2 GLN A 49 -0.400 -14.110 -1.552 1.00 72.52 N ATOM 0 H GLN A 49 -3.852 -15.085 -2.533 1.00 53.10 H new ATOM 0 HA GLN A 49 -3.210 -16.282 0.017 1.00 20.11 H new ATOM 0 HB2 GLN A 49 -4.742 -13.703 -0.438 1.00 44.10 H new ATOM 0 HB3 GLN A 49 -3.796 -14.165 0.962 1.00 44.10 H new ATOM 0 HG2 GLN A 49 -2.795 -13.327 -1.775 1.00 42.22 H new ATOM 0 HG3 GLN A 49 -2.530 -12.527 -0.238 1.00 42.22 H new ATOM 0 HE21 GLN A 49 -0.624 -13.517 -2.351 1.00 72.52 H new ATOM 0 HE22 GLN A 49 0.494 -14.601 -1.515 1.00 72.52 H new ATOM 763 N ALA A 50 -5.574 -16.538 1.122 1.00 72.20 N ATOM 764 CA ALA A 50 -6.896 -16.891 1.663 1.00 44.04 C ATOM 765 C ALA A 50 -7.828 -15.663 1.614 1.00 43.01 C ATOM 766 O ALA A 50 -9.034 -15.792 1.366 1.00 23.33 O ATOM 767 CB ALA A 50 -6.756 -17.441 3.094 1.00 14.30 C ATOM 0 H ALA A 50 -4.831 -16.537 1.820 1.00 72.20 H new ATOM 0 HA ALA A 50 -7.341 -17.675 1.051 1.00 44.04 H new ATOM 0 HB1 ALA A 50 -7.741 -17.698 3.483 1.00 14.30 H new ATOM 0 HB2 ALA A 50 -6.127 -18.331 3.082 1.00 14.30 H new ATOM 0 HB3 ALA A 50 -6.301 -16.684 3.732 1.00 14.30 H new ATOM 773 N ASP A 51 -7.230 -14.471 1.813 1.00 61.44 N ATOM 774 CA ASP A 51 -7.929 -13.174 1.725 1.00 60.42 C ATOM 775 C ASP A 51 -8.230 -12.821 0.257 1.00 63.44 C ATOM 776 O ASP A 51 -7.458 -13.169 -0.641 1.00 63.23 O ATOM 777 CB ASP A 51 -7.082 -12.052 2.383 1.00 33.53 C ATOM 778 CG ASP A 51 -6.736 -12.359 3.851 1.00 51.43 C ATOM 779 OD1 ASP A 51 -7.572 -12.088 4.743 1.00 12.15 O ATOM 780 OD2 ASP A 51 -5.648 -12.912 4.108 1.00 62.41 O ATOM 0 H ASP A 51 -6.240 -14.381 2.041 1.00 61.44 H new ATOM 0 HA ASP A 51 -8.873 -13.258 2.264 1.00 60.42 H new ATOM 0 HB2 ASP A 51 -6.161 -11.917 1.816 1.00 33.53 H new ATOM 0 HB3 ASP A 51 -7.629 -11.111 2.331 1.00 33.53 H new ATOM 785 N LYS A 52 -9.370 -12.147 0.029 1.00 33.24 N ATOM 786 CA LYS A 52 -9.815 -11.699 -1.314 1.00 45.04 C ATOM 787 C LYS A 52 -9.865 -10.166 -1.376 1.00 0.00 C ATOM 788 O LYS A 52 -10.776 -9.566 -1.967 1.00 22.41 O ATOM 789 CB LYS A 52 -11.188 -12.352 -1.663 1.00 1.31 C ATOM 790 CG LYS A 52 -11.093 -13.881 -1.854 1.00 70.21 C ATOM 791 CD LYS A 52 -10.215 -14.277 -3.079 1.00 13.44 C ATOM 792 CE LYS A 52 -9.599 -15.673 -2.958 1.00 21.05 C ATOM 793 NZ LYS A 52 -8.678 -15.753 -1.794 1.00 2.41 N ATOM 0 H LYS A 52 -10.018 -11.893 0.774 1.00 33.24 H new ATOM 0 HA LYS A 52 -9.096 -12.025 -2.066 1.00 45.04 H new ATOM 0 HB2 LYS A 52 -11.901 -12.134 -0.868 1.00 1.31 H new ATOM 0 HB3 LYS A 52 -11.578 -11.900 -2.575 1.00 1.31 H new ATOM 0 HG2 LYS A 52 -10.677 -14.331 -0.953 1.00 70.21 H new ATOM 0 HG3 LYS A 52 -12.095 -14.291 -1.982 1.00 70.21 H new ATOM 0 HD2 LYS A 52 -10.823 -14.233 -3.982 1.00 13.44 H new ATOM 0 HD3 LYS A 52 -9.417 -13.544 -3.197 1.00 13.44 H new ATOM 0 HE2 LYS A 52 -10.390 -16.415 -2.851 1.00 21.05 H new ATOM 0 HE3 LYS A 52 -9.057 -15.915 -3.872 1.00 21.05 H new ATOM 0 HZ1 LYS A 52 -7.802 -16.237 -2.077 1.00 2.41 H new ATOM 0 HZ2 LYS A 52 -8.452 -14.793 -1.464 1.00 2.41 H new ATOM 0 HZ3 LYS A 52 -9.135 -16.285 -1.026 1.00 2.41 H new ATOM 807 N VAL A 53 -8.823 -9.548 -0.795 1.00 1.43 N ATOM 808 CA VAL A 53 -8.656 -8.092 -0.755 1.00 60.30 C ATOM 809 C VAL A 53 -7.160 -7.735 -0.598 1.00 51.20 C ATOM 810 O VAL A 53 -6.426 -8.393 0.151 1.00 42.11 O ATOM 811 CB VAL A 53 -9.515 -7.442 0.395 1.00 21.32 C ATOM 812 CG1 VAL A 53 -9.237 -8.089 1.773 1.00 20.23 C ATOM 813 CG2 VAL A 53 -9.332 -5.904 0.440 1.00 61.14 C ATOM 0 H VAL A 53 -8.066 -10.055 -0.336 1.00 1.43 H new ATOM 0 HA VAL A 53 -9.018 -7.682 -1.698 1.00 60.30 H new ATOM 0 HB VAL A 53 -10.560 -7.643 0.160 1.00 21.32 H new ATOM 0 HG11 VAL A 53 -9.853 -7.607 2.532 1.00 20.23 H new ATOM 0 HG12 VAL A 53 -9.478 -9.151 1.731 1.00 20.23 H new ATOM 0 HG13 VAL A 53 -8.184 -7.965 2.027 1.00 20.23 H new ATOM 0 HG21 VAL A 53 -9.939 -5.489 1.245 1.00 61.14 H new ATOM 0 HG22 VAL A 53 -8.283 -5.667 0.617 1.00 61.14 H new ATOM 0 HG23 VAL A 53 -9.645 -5.472 -0.511 1.00 61.14 H new ATOM 823 N ALA A 54 -6.732 -6.699 -1.328 1.00 74.10 N ATOM 824 CA ALA A 54 -5.363 -6.163 -1.289 1.00 33.32 C ATOM 825 C ALA A 54 -5.366 -4.765 -0.665 1.00 13.04 C ATOM 826 O ALA A 54 -6.398 -4.088 -0.652 1.00 73.12 O ATOM 827 CB ALA A 54 -4.790 -6.100 -2.699 1.00 31.42 C ATOM 0 H ALA A 54 -7.339 -6.198 -1.977 1.00 74.10 H new ATOM 0 HA ALA A 54 -4.742 -6.821 -0.681 1.00 33.32 H new ATOM 0 HB1 ALA A 54 -3.776 -5.702 -2.662 1.00 31.42 H new ATOM 0 HB2 ALA A 54 -4.771 -7.101 -3.129 1.00 31.42 H new ATOM 0 HB3 ALA A 54 -5.412 -5.451 -3.316 1.00 31.42 H new ATOM 833 N TYR A 55 -4.208 -4.345 -0.132 1.00 12.44 N ATOM 834 CA TYR A 55 -4.035 -3.032 0.515 1.00 24.45 C ATOM 835 C TYR A 55 -2.690 -2.423 0.095 1.00 35.32 C ATOM 836 O TYR A 55 -1.632 -3.033 0.298 1.00 55.34 O ATOM 837 CB TYR A 55 -4.100 -3.160 2.057 1.00 52.15 C ATOM 838 CG TYR A 55 -5.416 -3.730 2.602 1.00 32.22 C ATOM 839 CD1 TYR A 55 -5.618 -5.106 2.691 1.00 23.24 C ATOM 840 CD2 TYR A 55 -6.460 -2.896 3.021 1.00 3.15 C ATOM 841 CE1 TYR A 55 -6.794 -5.629 3.169 1.00 51.22 C ATOM 842 CE2 TYR A 55 -7.639 -3.425 3.506 1.00 13.10 C ATOM 843 CZ TYR A 55 -7.801 -4.791 3.576 1.00 75.42 C ATOM 844 OH TYR A 55 -8.983 -5.329 4.041 1.00 70.33 O ATOM 0 H TYR A 55 -3.359 -4.910 -0.137 1.00 12.44 H new ATOM 0 HA TYR A 55 -4.847 -2.379 0.194 1.00 24.45 H new ATOM 0 HB2 TYR A 55 -3.280 -3.796 2.389 1.00 52.15 H new ATOM 0 HB3 TYR A 55 -3.938 -2.176 2.496 1.00 52.15 H new ATOM 0 HD1 TYR A 55 -4.832 -5.776 2.377 1.00 23.24 H new ATOM 0 HD2 TYR A 55 -6.341 -1.824 2.964 1.00 3.15 H new ATOM 0 HE1 TYR A 55 -6.926 -6.699 3.225 1.00 51.22 H new ATOM 0 HE2 TYR A 55 -8.433 -2.769 3.830 1.00 13.10 H new ATOM 0 HH TYR A 55 -9.738 -4.817 3.684 1.00 70.33 H new ATOM 854 N LEU A 56 -2.749 -1.228 -0.490 1.00 22.12 N ATOM 855 CA LEU A 56 -1.579 -0.498 -0.995 1.00 33.11 C ATOM 856 C LEU A 56 -1.128 0.527 0.057 1.00 55.25 C ATOM 857 O LEU A 56 -1.758 1.578 0.222 1.00 23.12 O ATOM 858 CB LEU A 56 -1.970 0.176 -2.342 1.00 32.15 C ATOM 859 CG LEU A 56 -0.879 1.014 -3.083 1.00 31.22 C ATOM 860 CD1 LEU A 56 0.418 0.211 -3.313 1.00 42.01 C ATOM 861 CD2 LEU A 56 -1.444 1.556 -4.414 1.00 54.43 C ATOM 0 H LEU A 56 -3.626 -0.727 -0.631 1.00 22.12 H new ATOM 0 HA LEU A 56 -0.740 -1.169 -1.176 1.00 33.11 H new ATOM 0 HB2 LEU A 56 -2.310 -0.606 -3.021 1.00 32.15 H new ATOM 0 HB3 LEU A 56 -2.823 0.828 -2.155 1.00 32.15 H new ATOM 0 HG LEU A 56 -0.613 1.855 -2.443 1.00 31.22 H new ATOM 0 HD11 LEU A 56 1.146 0.836 -3.831 1.00 42.01 H new ATOM 0 HD12 LEU A 56 0.827 -0.102 -2.352 1.00 42.01 H new ATOM 0 HD13 LEU A 56 0.199 -0.669 -3.918 1.00 42.01 H new ATOM 0 HD21 LEU A 56 -0.677 2.139 -4.924 1.00 54.43 H new ATOM 0 HD22 LEU A 56 -1.747 0.722 -5.047 1.00 54.43 H new ATOM 0 HD23 LEU A 56 -2.307 2.190 -4.212 1.00 54.43 H new ATOM 873 N VAL A 57 -0.055 0.186 0.795 1.00 25.12 N ATOM 874 CA VAL A 57 0.487 1.039 1.868 1.00 54.12 C ATOM 875 C VAL A 57 1.524 1.992 1.257 1.00 20.53 C ATOM 876 O VAL A 57 2.476 1.537 0.612 1.00 34.13 O ATOM 877 CB VAL A 57 1.149 0.197 3.027 1.00 65.01 C ATOM 878 CG1 VAL A 57 1.626 1.107 4.190 1.00 33.03 C ATOM 879 CG2 VAL A 57 0.187 -0.908 3.532 1.00 24.35 C ATOM 0 H VAL A 57 0.459 -0.686 0.665 1.00 25.12 H new ATOM 0 HA VAL A 57 -0.338 1.596 2.312 1.00 54.12 H new ATOM 0 HB VAL A 57 2.032 -0.293 2.616 1.00 65.01 H new ATOM 0 HG11 VAL A 57 2.077 0.494 4.970 1.00 33.03 H new ATOM 0 HG12 VAL A 57 2.363 1.818 3.817 1.00 33.03 H new ATOM 0 HG13 VAL A 57 0.774 1.649 4.601 1.00 33.03 H new ATOM 0 HG21 VAL A 57 0.669 -1.473 4.330 1.00 24.35 H new ATOM 0 HG22 VAL A 57 -0.726 -0.450 3.912 1.00 24.35 H new ATOM 0 HG23 VAL A 57 -0.059 -1.580 2.710 1.00 24.35 H new ATOM 889 N MET A 58 1.326 3.304 1.463 1.00 51.21 N ATOM 890 CA MET A 58 2.169 4.362 0.875 1.00 1.12 C ATOM 891 C MET A 58 2.363 5.514 1.878 1.00 2.51 C ATOM 892 O MET A 58 1.803 5.498 2.980 1.00 55.31 O ATOM 893 CB MET A 58 1.517 4.898 -0.438 1.00 11.44 C ATOM 894 CG MET A 58 0.213 5.693 -0.249 1.00 24.40 C ATOM 895 SD MET A 58 -0.456 6.362 -1.788 1.00 41.35 S ATOM 896 CE MET A 58 -0.972 4.880 -2.646 1.00 1.24 C ATOM 0 H MET A 58 0.571 3.665 2.046 1.00 51.21 H new ATOM 0 HA MET A 58 3.145 3.939 0.639 1.00 1.12 H new ATOM 0 HB2 MET A 58 2.240 5.534 -0.949 1.00 11.44 H new ATOM 0 HB3 MET A 58 1.315 4.052 -1.095 1.00 11.44 H new ATOM 0 HG2 MET A 58 -0.534 5.046 0.211 1.00 24.40 H new ATOM 0 HG3 MET A 58 0.395 6.513 0.445 1.00 24.40 H new ATOM 0 HE1 MET A 58 -0.373 4.755 -3.548 1.00 1.24 H new ATOM 0 HE2 MET A 58 -0.833 4.016 -1.996 1.00 1.24 H new ATOM 0 HE3 MET A 58 -2.024 4.965 -2.918 1.00 1.24 H new ATOM 906 N ASP A 59 3.172 6.500 1.473 1.00 5.12 N ATOM 907 CA ASP A 59 3.341 7.783 2.190 1.00 32.41 C ATOM 908 C ASP A 59 2.409 8.844 1.555 1.00 43.41 C ATOM 909 O ASP A 59 1.899 8.638 0.447 1.00 3.34 O ATOM 910 CB ASP A 59 4.835 8.216 2.126 1.00 23.21 C ATOM 911 CG ASP A 59 5.104 9.611 2.721 1.00 32.34 C ATOM 912 OD1 ASP A 59 4.864 9.804 3.932 1.00 43.44 O ATOM 913 OD2 ASP A 59 5.521 10.524 1.976 1.00 20.22 O ATOM 0 H ASP A 59 3.738 6.435 0.627 1.00 5.12 H new ATOM 0 HA ASP A 59 3.068 7.675 3.240 1.00 32.41 H new ATOM 0 HB2 ASP A 59 5.440 7.482 2.658 1.00 23.21 H new ATOM 0 HB3 ASP A 59 5.162 8.205 1.086 1.00 23.21 H new ATOM 918 N GLU A 60 2.189 9.974 2.262 1.00 42.15 N ATOM 919 CA GLU A 60 1.301 11.055 1.798 1.00 43.20 C ATOM 920 C GLU A 60 1.805 11.698 0.497 1.00 50.15 C ATOM 921 O GLU A 60 0.999 12.043 -0.362 1.00 71.13 O ATOM 922 CB GLU A 60 1.115 12.147 2.884 1.00 21.32 C ATOM 923 CG GLU A 60 0.102 13.248 2.475 1.00 33.43 C ATOM 924 CD GLU A 60 -0.236 14.225 3.599 1.00 22.22 C ATOM 925 OE1 GLU A 60 -1.006 13.852 4.510 1.00 30.52 O ATOM 926 OE2 GLU A 60 0.250 15.376 3.571 1.00 63.42 O ATOM 0 H GLU A 60 2.622 10.159 3.167 1.00 42.15 H new ATOM 0 HA GLU A 60 0.335 10.591 1.598 1.00 43.20 H new ATOM 0 HB2 GLU A 60 0.778 11.678 3.808 1.00 21.32 H new ATOM 0 HB3 GLU A 60 2.079 12.609 3.094 1.00 21.32 H new ATOM 0 HG2 GLU A 60 0.508 13.806 1.631 1.00 33.43 H new ATOM 0 HG3 GLU A 60 -0.817 12.773 2.131 1.00 33.43 H new ATOM 933 N ARG A 61 3.133 11.845 0.351 1.00 3.31 N ATOM 934 CA ARG A 61 3.742 12.443 -0.862 1.00 73.33 C ATOM 935 C ARG A 61 3.508 11.540 -2.094 1.00 71.41 C ATOM 936 O ARG A 61 3.409 12.028 -3.226 1.00 5.52 O ATOM 937 CB ARG A 61 5.252 12.691 -0.642 1.00 61.15 C ATOM 938 CG ARG A 61 5.580 13.578 0.585 1.00 4.05 C ATOM 939 CD ARG A 61 7.094 13.673 0.846 1.00 22.14 C ATOM 940 NE ARG A 61 7.714 12.330 0.930 1.00 64.33 N ATOM 941 CZ ARG A 61 8.753 11.901 0.191 1.00 3.01 C ATOM 942 NH1 ARG A 61 9.326 12.699 -0.710 1.00 53.31 N ATOM 943 NH2 ARG A 61 9.183 10.664 0.335 1.00 33.53 N ATOM 0 H ARG A 61 3.811 11.559 1.057 1.00 3.31 H new ATOM 0 HA ARG A 61 3.261 13.403 -1.051 1.00 73.33 H new ATOM 0 HB2 ARG A 61 5.753 11.730 -0.525 1.00 61.15 H new ATOM 0 HB3 ARG A 61 5.665 13.159 -1.535 1.00 61.15 H new ATOM 0 HG2 ARG A 61 5.177 14.578 0.426 1.00 4.05 H new ATOM 0 HG3 ARG A 61 5.086 13.172 1.467 1.00 4.05 H new ATOM 0 HD2 ARG A 61 7.567 14.244 0.047 1.00 22.14 H new ATOM 0 HD3 ARG A 61 7.271 14.216 1.774 1.00 22.14 H new ATOM 0 HE ARG A 61 7.320 11.675 1.605 1.00 64.33 H new ATOM 0 HH11 ARG A 61 8.977 13.648 -0.846 1.00 53.31 H new ATOM 0 HH12 ARG A 61 10.113 12.361 -1.264 1.00 53.31 H new ATOM 0 HH21 ARG A 61 8.729 10.041 1.002 1.00 33.53 H new ATOM 0 HH22 ARG A 61 9.970 10.330 -0.221 1.00 33.53 H new ATOM 957 N THR A 62 3.405 10.218 -1.843 1.00 23.41 N ATOM 958 CA THR A 62 3.029 9.226 -2.861 1.00 51.14 C ATOM 959 C THR A 62 1.533 9.368 -3.211 1.00 14.05 C ATOM 960 O THR A 62 1.148 9.280 -4.383 1.00 52.02 O ATOM 961 CB THR A 62 3.327 7.779 -2.347 1.00 72.35 C ATOM 962 OG1 THR A 62 4.707 7.685 -1.943 1.00 2.35 O ATOM 963 CG2 THR A 62 3.021 6.700 -3.409 1.00 33.22 C ATOM 0 H THR A 62 3.582 9.812 -0.924 1.00 23.41 H new ATOM 0 HA THR A 62 3.621 9.405 -3.759 1.00 51.14 H new ATOM 0 HB THR A 62 2.670 7.593 -1.497 1.00 72.35 H new ATOM 0 HG1 THR A 62 4.892 6.779 -1.620 1.00 2.35 H new ATOM 0 HG21 THR A 62 3.245 5.714 -3.001 1.00 33.22 H new ATOM 0 HG22 THR A 62 1.967 6.748 -3.683 1.00 33.22 H new ATOM 0 HG23 THR A 62 3.634 6.875 -4.293 1.00 33.22 H new ATOM 971 N TRP A 63 0.713 9.622 -2.171 1.00 14.40 N ATOM 972 CA TRP A 63 -0.734 9.832 -2.319 1.00 33.32 C ATOM 973 C TRP A 63 -1.027 11.120 -3.103 1.00 41.21 C ATOM 974 O TRP A 63 -1.988 11.152 -3.852 1.00 60.32 O ATOM 975 CB TRP A 63 -1.441 9.862 -0.939 1.00 51.41 C ATOM 976 CG TRP A 63 -2.912 10.226 -1.021 1.00 74.31 C ATOM 977 CD1 TRP A 63 -3.498 11.387 -0.596 1.00 42.15 C ATOM 978 CD2 TRP A 63 -3.965 9.447 -1.621 1.00 33.35 C ATOM 979 NE1 TRP A 63 -4.843 11.360 -0.853 1.00 20.24 N ATOM 980 CE2 TRP A 63 -5.153 10.184 -1.482 1.00 51.34 C ATOM 981 CE3 TRP A 63 -4.019 8.192 -2.242 1.00 53.41 C ATOM 982 CZ2 TRP A 63 -6.374 9.717 -1.950 1.00 33.24 C ATOM 983 CZ3 TRP A 63 -5.236 7.733 -2.710 1.00 60.10 C ATOM 984 CH2 TRP A 63 -6.400 8.492 -2.557 1.00 74.10 C ATOM 0 H TRP A 63 1.039 9.686 -1.207 1.00 14.40 H new ATOM 0 HA TRP A 63 -1.132 8.990 -2.885 1.00 33.32 H new ATOM 0 HB2 TRP A 63 -1.342 8.884 -0.468 1.00 51.41 H new ATOM 0 HB3 TRP A 63 -0.933 10.579 -0.295 1.00 51.41 H new ATOM 0 HD1 TRP A 63 -2.975 12.207 -0.126 1.00 42.15 H new ATOM 0 HE1 TRP A 63 -5.507 12.097 -0.614 1.00 20.24 H new ATOM 0 HE3 TRP A 63 -3.126 7.594 -2.353 1.00 53.41 H new ATOM 0 HZ2 TRP A 63 -7.275 10.303 -1.838 1.00 33.24 H new ATOM 0 HZ3 TRP A 63 -5.288 6.773 -3.202 1.00 60.10 H new ATOM 0 HH2 TRP A 63 -7.338 8.103 -2.925 1.00 74.10 H new ATOM 995 N LYS A 64 -0.193 12.172 -2.934 1.00 64.41 N ATOM 996 CA LYS A 64 -0.345 13.435 -3.684 1.00 14.54 C ATOM 997 C LYS A 64 -0.324 13.164 -5.195 1.00 2.14 C ATOM 998 O LYS A 64 -1.062 13.787 -5.949 1.00 13.22 O ATOM 999 CB LYS A 64 0.774 14.451 -3.327 1.00 3.22 C ATOM 1000 CG LYS A 64 0.831 14.877 -1.845 1.00 44.25 C ATOM 1001 CD LYS A 64 -0.527 15.397 -1.312 1.00 70.41 C ATOM 1002 CE LYS A 64 -0.391 16.100 0.046 1.00 3.44 C ATOM 1003 NZ LYS A 64 -1.692 16.651 0.519 1.00 72.42 N ATOM 0 H LYS A 64 0.592 12.168 -2.283 1.00 64.41 H new ATOM 0 HA LYS A 64 -1.305 13.868 -3.401 1.00 14.54 H new ATOM 0 HB2 LYS A 64 1.736 14.017 -3.600 1.00 3.22 H new ATOM 0 HB3 LYS A 64 0.641 15.343 -3.939 1.00 3.22 H new ATOM 0 HG2 LYS A 64 1.151 14.028 -1.241 1.00 44.25 H new ATOM 0 HG3 LYS A 64 1.584 15.656 -1.725 1.00 44.25 H new ATOM 0 HD2 LYS A 64 -0.957 16.090 -2.035 1.00 70.41 H new ATOM 0 HD3 LYS A 64 -1.221 14.562 -1.218 1.00 70.41 H new ATOM 0 HE2 LYS A 64 -0.006 15.395 0.783 1.00 3.44 H new ATOM 0 HE3 LYS A 64 0.337 16.907 -0.034 1.00 3.44 H new ATOM 0 HZ1 LYS A 64 -1.558 17.118 1.439 1.00 72.42 H new ATOM 0 HZ2 LYS A 64 -2.048 17.343 -0.171 1.00 72.42 H new ATOM 0 HZ3 LYS A 64 -2.380 15.878 0.620 1.00 72.42 H new ATOM 1017 N LYS A 65 0.519 12.198 -5.599 1.00 1.40 N ATOM 1018 CA LYS A 65 0.652 11.770 -6.996 1.00 31.30 C ATOM 1019 C LYS A 65 -0.596 10.993 -7.449 1.00 15.53 C ATOM 1020 O LYS A 65 -1.183 11.321 -8.476 1.00 24.24 O ATOM 1021 CB LYS A 65 1.935 10.911 -7.167 1.00 41.42 C ATOM 1022 CG LYS A 65 3.237 11.640 -6.752 1.00 40.31 C ATOM 1023 CD LYS A 65 3.536 12.897 -7.602 1.00 72.51 C ATOM 1024 CE LYS A 65 3.706 12.580 -9.097 1.00 13.22 C ATOM 1025 NZ LYS A 65 3.997 13.799 -9.893 1.00 53.32 N ATOM 0 H LYS A 65 1.130 11.691 -4.958 1.00 1.40 H new ATOM 0 HA LYS A 65 0.740 12.654 -7.628 1.00 31.30 H new ATOM 0 HB2 LYS A 65 1.834 10.002 -6.574 1.00 41.42 H new ATOM 0 HB3 LYS A 65 2.019 10.604 -8.209 1.00 41.42 H new ATOM 0 HG2 LYS A 65 3.164 11.929 -5.703 1.00 40.31 H new ATOM 0 HG3 LYS A 65 4.074 10.947 -6.835 1.00 40.31 H new ATOM 0 HD2 LYS A 65 2.725 13.615 -7.478 1.00 72.51 H new ATOM 0 HD3 LYS A 65 4.444 13.373 -7.231 1.00 72.51 H new ATOM 0 HE2 LYS A 65 4.515 11.861 -9.226 1.00 13.22 H new ATOM 0 HE3 LYS A 65 2.798 12.109 -9.474 1.00 13.22 H new ATOM 0 HZ1 LYS A 65 4.104 13.542 -10.895 1.00 53.32 H new ATOM 0 HZ2 LYS A 65 3.214 14.475 -9.791 1.00 53.32 H new ATOM 0 HZ3 LYS A 65 4.877 14.235 -9.551 1.00 53.32 H new ATOM 1039 N VAL A 66 -1.011 9.997 -6.638 1.00 33.14 N ATOM 1040 CA VAL A 66 -2.179 9.133 -6.930 1.00 72.10 C ATOM 1041 C VAL A 66 -3.476 9.970 -7.033 1.00 2.33 C ATOM 1042 O VAL A 66 -4.127 9.975 -8.076 1.00 64.21 O ATOM 1043 CB VAL A 66 -2.330 8.005 -5.836 1.00 74.33 C ATOM 1044 CG1 VAL A 66 -3.597 7.143 -6.063 1.00 32.10 C ATOM 1045 CG2 VAL A 66 -1.056 7.125 -5.795 1.00 4.21 C ATOM 0 H VAL A 66 -0.546 9.767 -5.760 1.00 33.14 H new ATOM 0 HA VAL A 66 -2.008 8.654 -7.894 1.00 72.10 H new ATOM 0 HB VAL A 66 -2.449 8.493 -4.869 1.00 74.33 H new ATOM 0 HG11 VAL A 66 -3.661 6.380 -5.288 1.00 32.10 H new ATOM 0 HG12 VAL A 66 -4.482 7.778 -6.021 1.00 32.10 H new ATOM 0 HG13 VAL A 66 -3.541 6.664 -7.040 1.00 32.10 H new ATOM 0 HG21 VAL A 66 -1.173 6.351 -5.037 1.00 4.21 H new ATOM 0 HG22 VAL A 66 -0.904 6.659 -6.769 1.00 4.21 H new ATOM 0 HG23 VAL A 66 -0.193 7.745 -5.551 1.00 4.21 H new ATOM 1055 N TYR A 67 -3.797 10.680 -5.934 1.00 14.11 N ATOM 1056 CA TYR A 67 -4.938 11.621 -5.813 1.00 60.35 C ATOM 1057 C TYR A 67 -5.019 12.605 -7.002 1.00 13.54 C ATOM 1058 O TYR A 67 -6.111 12.850 -7.543 1.00 20.13 O ATOM 1059 CB TYR A 67 -4.799 12.407 -4.477 1.00 1.32 C ATOM 1060 CG TYR A 67 -5.901 13.441 -4.197 1.00 31.05 C ATOM 1061 CD1 TYR A 67 -7.146 13.043 -3.718 1.00 73.01 C ATOM 1062 CD2 TYR A 67 -5.697 14.808 -4.410 1.00 12.05 C ATOM 1063 CE1 TYR A 67 -8.145 13.960 -3.460 1.00 34.40 C ATOM 1064 CE2 TYR A 67 -6.696 15.726 -4.152 1.00 51.30 C ATOM 1065 CZ TYR A 67 -7.916 15.297 -3.678 1.00 51.20 C ATOM 1066 OH TYR A 67 -8.917 16.210 -3.423 1.00 71.15 O ATOM 0 H TYR A 67 -3.253 10.615 -5.074 1.00 14.11 H new ATOM 0 HA TYR A 67 -5.860 11.040 -5.822 1.00 60.35 H new ATOM 0 HB2 TYR A 67 -4.780 11.691 -3.655 1.00 1.32 H new ATOM 0 HB3 TYR A 67 -3.837 12.919 -4.476 1.00 1.32 H new ATOM 0 HD1 TYR A 67 -7.334 11.994 -3.544 1.00 73.01 H new ATOM 0 HD2 TYR A 67 -4.743 15.151 -4.782 1.00 12.05 H new ATOM 0 HE1 TYR A 67 -9.103 13.628 -3.088 1.00 34.40 H new ATOM 0 HE2 TYR A 67 -6.521 16.778 -4.322 1.00 51.30 H new ATOM 0 HH TYR A 67 -8.596 17.113 -3.627 1.00 71.15 H new ATOM 1076 N ASP A 68 -3.848 13.156 -7.385 1.00 53.14 N ATOM 1077 CA ASP A 68 -3.727 14.086 -8.520 1.00 4.03 C ATOM 1078 C ASP A 68 -4.180 13.402 -9.818 1.00 22.12 C ATOM 1079 O ASP A 68 -5.030 13.928 -10.532 1.00 22.43 O ATOM 1080 CB ASP A 68 -2.272 14.598 -8.668 1.00 0.12 C ATOM 1081 CG ASP A 68 -2.087 15.539 -9.868 1.00 22.44 C ATOM 1082 OD1 ASP A 68 -2.407 16.741 -9.740 1.00 64.05 O ATOM 1083 OD2 ASP A 68 -1.632 15.091 -10.944 1.00 63.34 O ATOM 0 H ASP A 68 -2.963 12.967 -6.915 1.00 53.14 H new ATOM 0 HA ASP A 68 -4.372 14.943 -8.325 1.00 4.03 H new ATOM 0 HB2 ASP A 68 -1.981 15.119 -7.756 1.00 0.12 H new ATOM 0 HB3 ASP A 68 -1.602 13.745 -8.775 1.00 0.12 H new ATOM 1088 N LEU A 69 -3.631 12.194 -10.060 1.00 74.54 N ATOM 1089 CA LEU A 69 -3.917 11.388 -11.262 1.00 22.52 C ATOM 1090 C LEU A 69 -5.404 10.998 -11.351 1.00 34.15 C ATOM 1091 O LEU A 69 -5.955 10.891 -12.458 1.00 50.13 O ATOM 1092 CB LEU A 69 -3.040 10.110 -11.273 1.00 41.12 C ATOM 1093 CG LEU A 69 -1.508 10.324 -11.418 1.00 12.22 C ATOM 1094 CD1 LEU A 69 -0.747 8.989 -11.283 1.00 4.33 C ATOM 1095 CD2 LEU A 69 -1.173 11.040 -12.738 1.00 45.42 C ATOM 0 H LEU A 69 -2.972 11.748 -9.421 1.00 74.54 H new ATOM 0 HA LEU A 69 -3.679 12.003 -12.130 1.00 22.52 H new ATOM 0 HB2 LEU A 69 -3.222 9.563 -10.348 1.00 41.12 H new ATOM 0 HB3 LEU A 69 -3.375 9.473 -12.092 1.00 41.12 H new ATOM 0 HG LEU A 69 -1.178 10.970 -10.605 1.00 12.22 H new ATOM 0 HD11 LEU A 69 0.323 9.168 -11.389 1.00 4.33 H new ATOM 0 HD12 LEU A 69 -0.947 8.553 -10.304 1.00 4.33 H new ATOM 0 HD13 LEU A 69 -1.078 8.301 -12.061 1.00 4.33 H new ATOM 0 HD21 LEU A 69 -0.094 11.177 -12.814 1.00 45.42 H new ATOM 0 HD22 LEU A 69 -1.522 10.438 -13.577 1.00 45.42 H new ATOM 0 HD23 LEU A 69 -1.665 12.013 -12.759 1.00 45.42 H new ATOM 1107 N LEU A 70 -6.039 10.774 -10.179 1.00 4.30 N ATOM 1108 CA LEU A 70 -7.467 10.408 -10.096 1.00 52.23 C ATOM 1109 C LEU A 70 -8.327 11.514 -10.718 1.00 22.34 C ATOM 1110 O LEU A 70 -9.072 11.272 -11.672 1.00 54.45 O ATOM 1111 CB LEU A 70 -7.895 10.134 -8.624 1.00 63.11 C ATOM 1112 CG LEU A 70 -7.147 8.977 -7.897 1.00 10.12 C ATOM 1113 CD1 LEU A 70 -7.724 8.719 -6.486 1.00 35.23 C ATOM 1114 CD2 LEU A 70 -7.133 7.697 -8.758 1.00 14.04 C ATOM 0 H LEU A 70 -5.578 10.842 -9.271 1.00 4.30 H new ATOM 0 HA LEU A 70 -7.620 9.486 -10.657 1.00 52.23 H new ATOM 0 HB2 LEU A 70 -7.753 11.049 -8.049 1.00 63.11 H new ATOM 0 HB3 LEU A 70 -8.962 9.913 -8.612 1.00 63.11 H new ATOM 0 HG LEU A 70 -6.112 9.288 -7.759 1.00 10.12 H new ATOM 0 HD11 LEU A 70 -7.176 7.905 -6.012 1.00 35.23 H new ATOM 0 HD12 LEU A 70 -7.627 9.622 -5.883 1.00 35.23 H new ATOM 0 HD13 LEU A 70 -8.777 8.448 -6.567 1.00 35.23 H new ATOM 0 HD21 LEU A 70 -6.604 6.906 -8.226 1.00 14.04 H new ATOM 0 HD22 LEU A 70 -8.157 7.380 -8.955 1.00 14.04 H new ATOM 0 HD23 LEU A 70 -6.628 7.899 -9.702 1.00 14.04 H new ATOM 1126 N ILE A 71 -8.144 12.739 -10.205 1.00 21.21 N ATOM 1127 CA ILE A 71 -8.887 13.930 -10.651 1.00 22.15 C ATOM 1128 C ILE A 71 -8.440 14.360 -12.068 1.00 43.33 C ATOM 1129 O ILE A 71 -9.230 14.920 -12.834 1.00 30.12 O ATOM 1130 CB ILE A 71 -8.690 15.113 -9.634 1.00 21.44 C ATOM 1131 CG1 ILE A 71 -9.047 14.648 -8.188 1.00 75.35 C ATOM 1132 CG2 ILE A 71 -9.531 16.356 -10.029 1.00 32.11 C ATOM 1133 CD1 ILE A 71 -8.797 15.694 -7.125 1.00 73.14 C ATOM 0 H ILE A 71 -7.472 12.934 -9.463 1.00 21.21 H new ATOM 0 HA ILE A 71 -9.946 13.674 -10.690 1.00 22.15 H new ATOM 0 HB ILE A 71 -7.640 15.405 -9.664 1.00 21.44 H new ATOM 0 HG12 ILE A 71 -10.098 14.360 -8.159 1.00 75.35 H new ATOM 0 HG13 ILE A 71 -8.466 13.757 -7.950 1.00 75.35 H new ATOM 0 HG21 ILE A 71 -9.368 17.152 -9.302 1.00 32.11 H new ATOM 0 HG22 ILE A 71 -9.229 16.700 -11.018 1.00 32.11 H new ATOM 0 HG23 ILE A 71 -10.588 16.090 -10.045 1.00 32.11 H new ATOM 0 HD11 ILE A 71 -9.070 15.293 -6.149 1.00 73.14 H new ATOM 0 HD12 ILE A 71 -7.741 15.966 -7.123 1.00 73.14 H new ATOM 0 HD13 ILE A 71 -9.399 16.578 -7.336 1.00 73.14 H new ATOM 1145 N LEU A 72 -7.168 14.058 -12.405 1.00 5.42 N ATOM 1146 CA LEU A 72 -6.560 14.412 -13.703 1.00 51.04 C ATOM 1147 C LEU A 72 -7.271 13.647 -14.835 1.00 23.44 C ATOM 1148 O LEU A 72 -7.539 14.216 -15.896 1.00 63.05 O ATOM 1149 CB LEU A 72 -5.019 14.129 -13.669 1.00 15.43 C ATOM 1150 CG LEU A 72 -4.123 14.637 -14.863 1.00 74.54 C ATOM 1151 CD1 LEU A 72 -4.180 13.706 -16.097 1.00 13.12 C ATOM 1152 CD2 LEU A 72 -4.466 16.100 -15.249 1.00 70.34 C ATOM 0 H LEU A 72 -6.533 13.560 -11.781 1.00 5.42 H new ATOM 0 HA LEU A 72 -6.688 15.477 -13.896 1.00 51.04 H new ATOM 0 HB2 LEU A 72 -4.624 14.566 -12.752 1.00 15.43 H new ATOM 0 HB3 LEU A 72 -4.884 13.050 -13.592 1.00 15.43 H new ATOM 0 HG LEU A 72 -3.095 14.613 -14.503 1.00 74.54 H new ATOM 0 HD11 LEU A 72 -3.544 14.108 -16.886 1.00 13.12 H new ATOM 0 HD12 LEU A 72 -3.830 12.712 -15.819 1.00 13.12 H new ATOM 0 HD13 LEU A 72 -5.207 13.642 -16.457 1.00 13.12 H new ATOM 0 HD21 LEU A 72 -3.829 16.417 -16.075 1.00 70.34 H new ATOM 0 HD22 LEU A 72 -5.511 16.161 -15.552 1.00 70.34 H new ATOM 0 HD23 LEU A 72 -4.299 16.751 -14.391 1.00 70.34 H new ATOM 1164 N HIS A 73 -7.573 12.355 -14.602 1.00 71.42 N ATOM 1165 CA HIS A 73 -8.296 11.534 -15.591 1.00 73.33 C ATOM 1166 C HIS A 73 -9.816 11.767 -15.467 1.00 34.41 C ATOM 1167 O HIS A 73 -10.407 12.397 -16.350 1.00 31.41 O ATOM 1168 CB HIS A 73 -7.946 10.028 -15.422 1.00 63.41 C ATOM 1169 CG HIS A 73 -6.571 9.643 -15.899 1.00 52.03 C ATOM 1170 ND1 HIS A 73 -6.360 8.924 -17.050 1.00 24.51 N ATOM 1171 CD2 HIS A 73 -5.346 9.853 -15.367 1.00 52.31 C ATOM 1172 CE1 HIS A 73 -5.077 8.701 -17.201 1.00 1.24 C ATOM 1173 NE2 HIS A 73 -4.438 9.255 -16.195 1.00 0.43 N ATOM 0 H HIS A 73 -7.329 11.861 -13.744 1.00 71.42 H new ATOM 0 HA HIS A 73 -7.982 11.837 -16.590 1.00 73.33 H new ATOM 0 HB2 HIS A 73 -8.037 9.764 -14.368 1.00 63.41 H new ATOM 0 HB3 HIS A 73 -8.683 9.435 -15.964 1.00 63.41 H new ATOM 0 HD2 HIS A 73 -5.126 10.393 -14.458 1.00 52.31 H new ATOM 0 HE1 HIS A 73 -4.622 8.155 -18.014 1.00 1.24 H new ATOM 0 HE2 HIS A 73 -3.428 9.241 -16.055 1.00 0.43 H new ATOM 1182 N ASP A 74 -10.404 11.352 -14.318 1.00 60.40 N ATOM 1183 CA ASP A 74 -11.871 11.418 -14.055 1.00 43.13 C ATOM 1184 C ASP A 74 -12.176 10.887 -12.640 1.00 55.12 C ATOM 1185 O ASP A 74 -12.279 9.666 -12.444 1.00 72.52 O ATOM 1186 CB ASP A 74 -12.717 10.603 -15.114 1.00 45.21 C ATOM 1187 CG ASP A 74 -13.301 11.474 -16.244 1.00 34.40 C ATOM 1188 OD1 ASP A 74 -14.071 12.407 -15.939 1.00 60.35 O ATOM 1189 OD2 ASP A 74 -13.012 11.234 -17.439 1.00 62.54 O ATOM 0 H ASP A 74 -9.874 10.959 -13.540 1.00 60.40 H new ATOM 0 HA ASP A 74 -12.161 12.465 -14.138 1.00 43.13 H new ATOM 0 HB2 ASP A 74 -12.086 9.830 -15.552 1.00 45.21 H new ATOM 0 HB3 ASP A 74 -13.533 10.095 -14.600 1.00 45.21 H new ATOM 1194 N PHE A 75 -12.288 11.796 -11.661 1.00 21.43 N ATOM 1195 CA PHE A 75 -12.700 11.450 -10.286 1.00 13.32 C ATOM 1196 C PHE A 75 -13.036 12.751 -9.544 1.00 52.13 C ATOM 1197 O PHE A 75 -12.292 13.737 -9.644 1.00 4.30 O ATOM 1198 CB PHE A 75 -11.566 10.670 -9.529 1.00 22.31 C ATOM 1199 CG PHE A 75 -12.029 9.577 -8.557 1.00 21.31 C ATOM 1200 CD1 PHE A 75 -13.164 9.732 -7.758 1.00 20.34 C ATOM 1201 CD2 PHE A 75 -11.306 8.381 -8.442 1.00 5.22 C ATOM 1202 CE1 PHE A 75 -13.558 8.741 -6.882 1.00 42.12 C ATOM 1203 CE2 PHE A 75 -11.703 7.392 -7.565 1.00 53.54 C ATOM 1204 CZ PHE A 75 -12.830 7.569 -6.787 1.00 32.01 C ATOM 0 H PHE A 75 -12.097 12.789 -11.795 1.00 21.43 H new ATOM 0 HA PHE A 75 -13.572 10.797 -10.324 1.00 13.32 H new ATOM 0 HB2 PHE A 75 -10.910 10.214 -10.270 1.00 22.31 H new ATOM 0 HB3 PHE A 75 -10.966 11.391 -8.974 1.00 22.31 H new ATOM 0 HD1 PHE A 75 -13.742 10.642 -7.827 1.00 20.34 H new ATOM 0 HD2 PHE A 75 -10.425 8.232 -9.049 1.00 5.22 H new ATOM 0 HE1 PHE A 75 -14.436 8.881 -6.270 1.00 42.12 H new ATOM 0 HE2 PHE A 75 -11.132 6.479 -7.487 1.00 53.54 H new ATOM 0 HZ PHE A 75 -13.143 6.793 -6.105 1.00 32.01 H new ATOM 1214 N THR A 76 -14.155 12.747 -8.805 1.00 70.05 N ATOM 1215 CA THR A 76 -14.569 13.872 -7.981 1.00 71.25 C ATOM 1216 C THR A 76 -13.738 13.895 -6.681 1.00 51.04 C ATOM 1217 O THR A 76 -13.727 12.886 -5.958 1.00 4.34 O ATOM 1218 CB THR A 76 -16.087 13.754 -7.632 1.00 5.45 C ATOM 1219 OG1 THR A 76 -16.853 13.580 -8.834 1.00 74.34 O ATOM 1220 CG2 THR A 76 -16.602 14.986 -6.886 1.00 40.12 C ATOM 0 H THR A 76 -14.796 11.954 -8.768 1.00 70.05 H new ATOM 0 HA THR A 76 -14.404 14.796 -8.535 1.00 71.25 H new ATOM 0 HB THR A 76 -16.203 12.889 -6.980 1.00 5.45 H new ATOM 0 HG1 THR A 76 -17.804 13.505 -8.608 1.00 74.34 H new ATOM 0 HG21 THR A 76 -17.662 14.860 -6.664 1.00 40.12 H new ATOM 0 HG22 THR A 76 -16.048 15.106 -5.955 1.00 40.12 H new ATOM 0 HG23 THR A 76 -16.464 15.871 -7.507 1.00 40.12 H new ATOM 1228 N PRO A 77 -13.035 15.035 -6.360 1.00 62.34 N ATOM 1229 CA PRO A 77 -12.269 15.187 -5.093 1.00 20.22 C ATOM 1230 C PRO A 77 -13.140 14.903 -3.860 1.00 21.03 C ATOM 1231 O PRO A 77 -12.676 14.280 -2.897 1.00 24.01 O ATOM 1232 CB PRO A 77 -11.788 16.668 -5.121 1.00 62.30 C ATOM 1233 CG PRO A 77 -12.611 17.333 -6.186 1.00 41.10 C ATOM 1234 CD PRO A 77 -12.901 16.254 -7.202 1.00 60.03 C ATOM 0 HA PRO A 77 -11.444 14.478 -5.022 1.00 20.22 H new ATOM 0 HB2 PRO A 77 -11.936 17.148 -4.153 1.00 62.30 H new ATOM 0 HB3 PRO A 77 -10.724 16.732 -5.349 1.00 62.30 H new ATOM 0 HG2 PRO A 77 -13.533 17.741 -5.772 1.00 41.10 H new ATOM 0 HG3 PRO A 77 -12.070 18.164 -6.639 1.00 41.10 H new ATOM 0 HD2 PRO A 77 -13.813 16.461 -7.762 1.00 60.03 H new ATOM 0 HD3 PRO A 77 -12.095 16.156 -7.929 1.00 60.03 H new ATOM 1242 N GLU A 78 -14.420 15.338 -3.950 1.00 22.24 N ATOM 1243 CA GLU A 78 -15.425 15.194 -2.881 1.00 60.03 C ATOM 1244 C GLU A 78 -15.677 13.716 -2.539 1.00 25.35 C ATOM 1245 O GLU A 78 -15.805 13.368 -1.366 1.00 24.30 O ATOM 1246 CB GLU A 78 -16.748 15.899 -3.276 1.00 32.12 C ATOM 1247 CG GLU A 78 -16.576 17.383 -3.656 1.00 70.02 C ATOM 1248 CD GLU A 78 -17.912 18.097 -3.889 1.00 53.10 C ATOM 1249 OE1 GLU A 78 -18.515 17.896 -4.961 1.00 73.14 O ATOM 1250 OE2 GLU A 78 -18.369 18.852 -2.996 1.00 11.52 O ATOM 0 H GLU A 78 -14.784 15.805 -4.781 1.00 22.24 H new ATOM 0 HA GLU A 78 -15.029 15.676 -1.987 1.00 60.03 H new ATOM 0 HB2 GLU A 78 -17.194 15.368 -4.117 1.00 32.12 H new ATOM 0 HB3 GLU A 78 -17.449 15.826 -2.445 1.00 32.12 H new ATOM 0 HG2 GLU A 78 -16.029 17.895 -2.864 1.00 70.02 H new ATOM 0 HG3 GLU A 78 -15.969 17.454 -4.559 1.00 70.02 H new ATOM 1257 N GLU A 79 -15.716 12.854 -3.572 1.00 20.23 N ATOM 1258 CA GLU A 79 -15.912 11.403 -3.387 1.00 41.24 C ATOM 1259 C GLU A 79 -14.700 10.762 -2.709 1.00 52.14 C ATOM 1260 O GLU A 79 -14.858 9.976 -1.769 1.00 23.54 O ATOM 1261 CB GLU A 79 -16.210 10.706 -4.744 1.00 23.32 C ATOM 1262 CG GLU A 79 -17.606 11.012 -5.310 1.00 40.14 C ATOM 1263 CD GLU A 79 -18.731 10.509 -4.389 1.00 24.33 C ATOM 1264 OE1 GLU A 79 -19.043 9.295 -4.429 1.00 44.20 O ATOM 1265 OE2 GLU A 79 -19.286 11.308 -3.608 1.00 40.53 O ATOM 0 H GLU A 79 -15.614 13.138 -4.546 1.00 20.23 H new ATOM 0 HA GLU A 79 -16.774 11.267 -2.734 1.00 41.24 H new ATOM 0 HB2 GLU A 79 -15.459 11.013 -5.471 1.00 23.32 H new ATOM 0 HB3 GLU A 79 -16.109 9.628 -4.617 1.00 23.32 H new ATOM 0 HG2 GLU A 79 -17.710 12.088 -5.453 1.00 40.14 H new ATOM 0 HG3 GLU A 79 -17.708 10.548 -6.291 1.00 40.14 H new ATOM 1272 N ILE A 80 -13.498 11.143 -3.178 1.00 71.22 N ATOM 1273 CA ILE A 80 -12.223 10.599 -2.681 1.00 43.31 C ATOM 1274 C ILE A 80 -12.073 10.848 -1.164 1.00 3.11 C ATOM 1275 O ILE A 80 -11.813 9.918 -0.395 1.00 73.11 O ATOM 1276 CB ILE A 80 -11.004 11.221 -3.453 1.00 32.42 C ATOM 1277 CG1 ILE A 80 -11.161 11.039 -4.998 1.00 60.15 C ATOM 1278 CG2 ILE A 80 -9.673 10.606 -2.960 1.00 62.33 C ATOM 1279 CD1 ILE A 80 -10.101 11.739 -5.835 1.00 42.13 C ATOM 0 H ILE A 80 -13.384 11.839 -3.915 1.00 71.22 H new ATOM 0 HA ILE A 80 -12.231 9.524 -2.859 1.00 43.31 H new ATOM 0 HB ILE A 80 -10.985 12.291 -3.244 1.00 32.42 H new ATOM 0 HG12 ILE A 80 -11.140 9.974 -5.228 1.00 60.15 H new ATOM 0 HG13 ILE A 80 -12.142 11.410 -5.295 1.00 60.15 H new ATOM 0 HG21 ILE A 80 -8.842 11.051 -3.508 1.00 62.33 H new ATOM 0 HG22 ILE A 80 -9.553 10.804 -1.895 1.00 62.33 H new ATOM 0 HG23 ILE A 80 -9.685 9.529 -3.130 1.00 62.33 H new ATOM 0 HD11 ILE A 80 -10.293 11.556 -6.892 1.00 42.13 H new ATOM 0 HD12 ILE A 80 -10.134 12.811 -5.641 1.00 42.13 H new ATOM 0 HD13 ILE A 80 -9.116 11.352 -5.572 1.00 42.13 H new ATOM 1291 N LYS A 81 -12.316 12.110 -0.752 1.00 54.43 N ATOM 1292 CA LYS A 81 -12.186 12.545 0.657 1.00 34.33 C ATOM 1293 C LYS A 81 -13.327 11.985 1.537 1.00 34.14 C ATOM 1294 O LYS A 81 -13.187 11.919 2.766 1.00 24.31 O ATOM 1295 CB LYS A 81 -12.097 14.092 0.743 1.00 2.40 C ATOM 1296 CG LYS A 81 -13.314 14.851 0.167 1.00 53.23 C ATOM 1297 CD LYS A 81 -12.994 16.317 -0.215 1.00 21.34 C ATOM 1298 CE LYS A 81 -12.681 17.221 0.987 1.00 11.55 C ATOM 1299 NZ LYS A 81 -13.874 17.421 1.853 1.00 44.22 N ATOM 0 H LYS A 81 -12.607 12.856 -1.384 1.00 54.43 H new ATOM 0 HA LYS A 81 -11.257 12.133 1.052 1.00 34.33 H new ATOM 0 HB2 LYS A 81 -11.973 14.376 1.788 1.00 2.40 H new ATOM 0 HB3 LYS A 81 -11.201 14.419 0.215 1.00 2.40 H new ATOM 0 HG2 LYS A 81 -13.679 14.324 -0.715 1.00 53.23 H new ATOM 0 HG3 LYS A 81 -14.120 14.841 0.900 1.00 53.23 H new ATOM 0 HD2 LYS A 81 -12.143 16.327 -0.896 1.00 21.34 H new ATOM 0 HD3 LYS A 81 -13.842 16.733 -0.759 1.00 21.34 H new ATOM 0 HE2 LYS A 81 -11.876 16.779 1.574 1.00 11.55 H new ATOM 0 HE3 LYS A 81 -12.324 18.187 0.632 1.00 11.55 H new ATOM 0 HZ1 LYS A 81 -13.642 18.090 2.615 1.00 44.22 H new ATOM 0 HZ2 LYS A 81 -14.656 17.803 1.284 1.00 44.22 H new ATOM 0 HZ3 LYS A 81 -14.159 16.510 2.267 1.00 44.22 H new ATOM 1313 N SER A 82 -14.444 11.573 0.906 1.00 5.22 N ATOM 1314 CA SER A 82 -15.555 10.895 1.606 1.00 12.22 C ATOM 1315 C SER A 82 -15.268 9.398 1.792 1.00 42.41 C ATOM 1316 O SER A 82 -15.845 8.767 2.680 1.00 73.15 O ATOM 1317 CB SER A 82 -16.881 11.093 0.843 1.00 14.14 C ATOM 1318 OG SER A 82 -17.268 12.456 0.843 1.00 52.21 O ATOM 0 H SER A 82 -14.602 11.699 -0.094 1.00 5.22 H new ATOM 0 HA SER A 82 -15.647 11.347 2.594 1.00 12.22 H new ATOM 0 HB2 SER A 82 -16.770 10.743 -0.183 1.00 14.14 H new ATOM 0 HB3 SER A 82 -17.663 10.489 1.303 1.00 14.14 H new ATOM 0 HG SER A 82 -16.835 12.919 0.095 1.00 52.21 H new ATOM 1324 N PHE A 83 -14.371 8.832 0.955 1.00 14.22 N ATOM 1325 CA PHE A 83 -13.932 7.422 1.083 1.00 34.32 C ATOM 1326 C PHE A 83 -12.923 7.245 2.230 1.00 13.00 C ATOM 1327 O PHE A 83 -12.487 6.125 2.490 1.00 51.20 O ATOM 1328 CB PHE A 83 -13.331 6.891 -0.246 1.00 74.41 C ATOM 1329 CG PHE A 83 -14.319 6.789 -1.408 1.00 31.43 C ATOM 1330 CD1 PHE A 83 -15.639 6.373 -1.202 1.00 22.11 C ATOM 1331 CD2 PHE A 83 -13.929 7.106 -2.710 1.00 1.51 C ATOM 1332 CE1 PHE A 83 -16.526 6.282 -2.259 1.00 23.24 C ATOM 1333 CE2 PHE A 83 -14.818 7.014 -3.762 1.00 23.22 C ATOM 1334 CZ PHE A 83 -16.113 6.604 -3.539 1.00 33.12 C ATOM 0 H PHE A 83 -13.934 9.331 0.180 1.00 14.22 H new ATOM 0 HA PHE A 83 -14.820 6.835 1.317 1.00 34.32 H new ATOM 0 HB2 PHE A 83 -12.511 7.545 -0.543 1.00 74.41 H new ATOM 0 HB3 PHE A 83 -12.903 5.905 -0.065 1.00 74.41 H new ATOM 0 HD1 PHE A 83 -15.969 6.120 -0.205 1.00 22.11 H new ATOM 0 HD2 PHE A 83 -12.915 7.428 -2.897 1.00 1.51 H new ATOM 0 HE1 PHE A 83 -17.542 5.959 -2.085 1.00 23.24 H new ATOM 0 HE2 PHE A 83 -14.497 7.264 -4.762 1.00 23.22 H new ATOM 0 HZ PHE A 83 -16.807 6.534 -4.364 1.00 33.12 H new ATOM 1344 N PHE A 84 -12.547 8.352 2.892 1.00 2.05 N ATOM 1345 CA PHE A 84 -11.744 8.327 4.133 1.00 71.42 C ATOM 1346 C PHE A 84 -12.630 8.183 5.377 1.00 20.25 C ATOM 1347 O PHE A 84 -12.127 7.934 6.475 1.00 4.24 O ATOM 1348 CB PHE A 84 -10.864 9.597 4.240 1.00 24.31 C ATOM 1349 CG PHE A 84 -9.699 9.619 3.256 1.00 2.34 C ATOM 1350 CD1 PHE A 84 -8.468 9.080 3.601 1.00 12.41 C ATOM 1351 CD2 PHE A 84 -9.839 10.173 1.993 1.00 62.43 C ATOM 1352 CE1 PHE A 84 -7.417 9.094 2.714 1.00 71.52 C ATOM 1353 CE2 PHE A 84 -8.788 10.192 1.098 1.00 73.50 C ATOM 1354 CZ PHE A 84 -7.575 9.652 1.461 1.00 41.23 C ATOM 0 H PHE A 84 -12.790 9.293 2.583 1.00 2.05 H new ATOM 0 HA PHE A 84 -11.094 7.453 4.085 1.00 71.42 H new ATOM 0 HB2 PHE A 84 -11.487 10.475 4.072 1.00 24.31 H new ATOM 0 HB3 PHE A 84 -10.473 9.673 5.255 1.00 24.31 H new ATOM 0 HD1 PHE A 84 -8.333 8.643 4.580 1.00 12.41 H new ATOM 0 HD2 PHE A 84 -10.789 10.598 1.704 1.00 62.43 H new ATOM 0 HE1 PHE A 84 -6.466 8.668 2.998 1.00 71.52 H new ATOM 0 HE2 PHE A 84 -8.917 10.628 0.118 1.00 73.50 H new ATOM 0 HZ PHE A 84 -6.748 9.665 0.767 1.00 41.23 H new ATOM 1364 N GLU A 85 -13.952 8.340 5.205 1.00 3.11 N ATOM 1365 CA GLU A 85 -14.926 8.283 6.312 1.00 3.24 C ATOM 1366 C GLU A 85 -16.026 7.264 5.980 1.00 61.12 C ATOM 1367 O GLU A 85 -16.320 7.025 4.804 1.00 4.04 O ATOM 1368 CB GLU A 85 -15.549 9.691 6.532 1.00 35.15 C ATOM 1369 CG GLU A 85 -14.513 10.832 6.680 1.00 1.11 C ATOM 1370 CD GLU A 85 -15.149 12.211 6.871 1.00 24.22 C ATOM 1371 OE1 GLU A 85 -15.824 12.679 5.943 1.00 24.33 O ATOM 1372 OE2 GLU A 85 -14.973 12.836 7.943 1.00 21.32 O ATOM 0 H GLU A 85 -14.378 8.510 4.294 1.00 3.11 H new ATOM 0 HA GLU A 85 -14.420 7.972 7.226 1.00 3.24 H new ATOM 0 HB2 GLU A 85 -16.206 9.920 5.693 1.00 35.15 H new ATOM 0 HB3 GLU A 85 -16.172 9.664 7.426 1.00 35.15 H new ATOM 0 HG2 GLU A 85 -13.867 10.617 7.531 1.00 1.11 H new ATOM 0 HG3 GLU A 85 -13.878 10.853 5.794 1.00 1.11 H new ATOM 1379 N ASN A 86 -16.621 6.666 7.024 1.00 53.51 N ATOM 1380 CA ASN A 86 -17.817 5.815 6.887 1.00 21.15 C ATOM 1381 C ASN A 86 -18.463 5.631 8.271 1.00 13.44 C ATOM 1382 O ASN A 86 -17.773 5.679 9.297 1.00 51.24 O ATOM 1383 CB ASN A 86 -17.474 4.431 6.254 1.00 14.14 C ATOM 1384 CG ASN A 86 -18.682 3.802 5.545 1.00 2.12 C ATOM 1385 OD1 ASN A 86 -19.545 3.188 6.171 1.00 35.53 O ATOM 1386 ND2 ASN A 86 -18.756 3.961 4.235 1.00 61.53 N ATOM 0 H ASN A 86 -16.289 6.757 7.984 1.00 53.51 H new ATOM 0 HA ASN A 86 -18.518 6.308 6.214 1.00 21.15 H new ATOM 0 HB2 ASN A 86 -16.659 4.552 5.541 1.00 14.14 H new ATOM 0 HB3 ASN A 86 -17.119 3.755 7.032 1.00 14.14 H new ATOM 0 HD21 ASN A 86 -19.543 3.570 3.717 1.00 61.53 H new ATOM 0 HD22 ASN A 86 -18.026 4.475 3.742 1.00 61.53 H new ATOM 1393 N LYS A 87 -19.791 5.413 8.291 1.00 31.53 N ATOM 1394 CA LYS A 87 -20.586 5.351 9.537 1.00 2.50 C ATOM 1395 C LYS A 87 -20.785 3.903 10.017 1.00 65.11 C ATOM 1396 O LYS A 87 -21.039 3.677 11.206 1.00 75.32 O ATOM 1397 CB LYS A 87 -21.959 6.041 9.334 1.00 43.44 C ATOM 1398 CG LYS A 87 -21.867 7.506 8.848 1.00 53.24 C ATOM 1399 CD LYS A 87 -23.243 8.205 8.767 1.00 62.44 C ATOM 1400 CE LYS A 87 -23.901 8.402 10.143 1.00 23.33 C ATOM 1401 NZ LYS A 87 -23.068 9.240 11.047 1.00 1.22 N ATOM 0 H LYS A 87 -20.345 5.275 7.446 1.00 31.53 H new ATOM 0 HA LYS A 87 -20.028 5.881 10.309 1.00 2.50 H new ATOM 0 HB2 LYS A 87 -22.538 5.466 8.612 1.00 43.44 H new ATOM 0 HB3 LYS A 87 -22.508 6.016 10.275 1.00 43.44 H new ATOM 0 HG2 LYS A 87 -21.220 8.067 9.523 1.00 53.24 H new ATOM 0 HG3 LYS A 87 -21.397 7.528 7.865 1.00 53.24 H new ATOM 0 HD2 LYS A 87 -23.123 9.176 8.286 1.00 62.44 H new ATOM 0 HD3 LYS A 87 -23.907 7.616 8.134 1.00 62.44 H new ATOM 0 HE2 LYS A 87 -24.877 8.869 10.014 1.00 23.33 H new ATOM 0 HE3 LYS A 87 -24.071 7.430 10.605 1.00 23.33 H new ATOM 0 HZ1 LYS A 87 -23.617 9.488 11.895 1.00 1.22 H new ATOM 0 HZ2 LYS A 87 -22.219 8.709 11.328 1.00 1.22 H new ATOM 0 HZ3 LYS A 87 -22.785 10.109 10.551 1.00 1.22 H new ATOM 1415 N GLY A 88 -20.663 2.930 9.094 1.00 24.30 N ATOM 1416 CA GLY A 88 -20.933 1.517 9.407 1.00 24.12 C ATOM 1417 C GLY A 88 -19.923 0.579 8.770 1.00 53.31 C ATOM 1418 O GLY A 88 -19.315 -0.256 9.455 1.00 70.30 O ATOM 0 H GLY A 88 -20.380 3.098 8.129 1.00 24.30 H new ATOM 0 HA2 GLY A 88 -20.921 1.379 10.488 1.00 24.12 H new ATOM 0 HA3 GLY A 88 -21.934 1.256 9.063 1.00 24.12 H new ATOM 1422 N LYS A 89 -19.747 0.717 7.444 1.00 71.21 N ATOM 1423 CA LYS A 89 -18.757 -0.060 6.669 1.00 14.32 C ATOM 1424 C LYS A 89 -17.352 0.536 6.872 1.00 33.41 C ATOM 1425 O LYS A 89 -17.140 1.407 7.723 1.00 3.01 O ATOM 1426 CB LYS A 89 -19.124 -0.097 5.146 1.00 62.11 C ATOM 1427 CG LYS A 89 -20.349 -0.975 4.779 1.00 2.42 C ATOM 1428 CD LYS A 89 -21.702 -0.398 5.262 1.00 34.44 C ATOM 1429 CE LYS A 89 -22.058 0.948 4.604 1.00 63.23 C ATOM 1430 NZ LYS A 89 -23.404 1.434 5.016 1.00 32.55 N ATOM 0 H LYS A 89 -20.287 1.371 6.877 1.00 71.21 H new ATOM 0 HA LYS A 89 -18.767 -1.087 7.034 1.00 14.32 H new ATOM 0 HB2 LYS A 89 -19.315 0.922 4.811 1.00 62.11 H new ATOM 0 HB3 LYS A 89 -18.259 -0.459 4.590 1.00 62.11 H new ATOM 0 HG2 LYS A 89 -20.384 -1.099 3.697 1.00 2.42 H new ATOM 0 HG3 LYS A 89 -20.214 -1.967 5.209 1.00 2.42 H new ATOM 0 HD2 LYS A 89 -22.493 -1.118 5.051 1.00 34.44 H new ATOM 0 HD3 LYS A 89 -21.669 -0.269 6.344 1.00 34.44 H new ATOM 0 HE2 LYS A 89 -21.307 1.692 4.871 1.00 63.23 H new ATOM 0 HE3 LYS A 89 -22.028 0.840 3.520 1.00 63.23 H new ATOM 0 HZ1 LYS A 89 -23.603 2.342 4.550 1.00 32.55 H new ATOM 0 HZ2 LYS A 89 -24.125 0.737 4.738 1.00 32.55 H new ATOM 0 HZ3 LYS A 89 -23.426 1.562 6.048 1.00 32.55 H new ATOM 1444 N ARG A 90 -16.398 0.036 6.086 1.00 31.23 N ATOM 1445 CA ARG A 90 -15.002 0.464 6.153 1.00 4.33 C ATOM 1446 C ARG A 90 -14.725 1.558 5.100 1.00 15.10 C ATOM 1447 O ARG A 90 -15.266 1.485 3.989 1.00 21.14 O ATOM 1448 CB ARG A 90 -14.090 -0.763 5.921 1.00 60.33 C ATOM 1449 CG ARG A 90 -12.580 -0.476 6.046 1.00 61.43 C ATOM 1450 CD ARG A 90 -11.745 -1.734 5.878 1.00 70.35 C ATOM 1451 NE ARG A 90 -12.094 -2.776 6.866 1.00 55.42 N ATOM 1452 CZ ARG A 90 -11.661 -4.040 6.829 1.00 31.43 C ATOM 1453 NH1 ARG A 90 -10.851 -4.447 5.855 1.00 52.13 N ATOM 1454 NH2 ARG A 90 -12.029 -4.891 7.778 1.00 34.00 N ATOM 0 H ARG A 90 -16.574 -0.681 5.382 1.00 31.23 H new ATOM 0 HA ARG A 90 -14.794 0.887 7.136 1.00 4.33 H new ATOM 0 HB2 ARG A 90 -14.359 -1.539 6.637 1.00 60.33 H new ATOM 0 HB3 ARG A 90 -14.289 -1.164 4.927 1.00 60.33 H new ATOM 0 HG2 ARG A 90 -12.287 0.257 5.294 1.00 61.43 H new ATOM 0 HG3 ARG A 90 -12.375 -0.032 7.020 1.00 61.43 H new ATOM 0 HD2 ARG A 90 -11.886 -2.129 4.872 1.00 70.35 H new ATOM 0 HD3 ARG A 90 -10.689 -1.482 5.977 1.00 70.35 H new ATOM 0 HE ARG A 90 -12.711 -2.511 7.633 1.00 55.42 H new ATOM 0 HH11 ARG A 90 -10.556 -3.793 5.130 1.00 52.13 H new ATOM 0 HH12 ARG A 90 -10.525 -5.413 5.833 1.00 52.13 H new ATOM 0 HH21 ARG A 90 -12.641 -4.580 8.533 1.00 34.00 H new ATOM 0 HH22 ARG A 90 -11.700 -5.856 7.753 1.00 34.00 H new ATOM 1468 N PRO A 91 -13.912 2.609 5.452 1.00 62.23 N ATOM 1469 CA PRO A 91 -13.365 3.562 4.455 1.00 24.04 C ATOM 1470 C PRO A 91 -12.469 2.846 3.411 1.00 60.15 C ATOM 1471 O PRO A 91 -11.646 1.995 3.771 1.00 53.24 O ATOM 1472 CB PRO A 91 -12.548 4.565 5.321 1.00 44.14 C ATOM 1473 CG PRO A 91 -12.284 3.849 6.613 1.00 42.35 C ATOM 1474 CD PRO A 91 -13.501 2.984 6.841 1.00 60.31 C ATOM 0 HA PRO A 91 -14.143 4.049 3.867 1.00 24.04 H new ATOM 0 HB2 PRO A 91 -11.616 4.843 4.828 1.00 44.14 H new ATOM 0 HB3 PRO A 91 -13.107 5.486 5.489 1.00 44.14 H new ATOM 0 HG2 PRO A 91 -11.378 3.246 6.551 1.00 42.35 H new ATOM 0 HG3 PRO A 91 -12.143 4.554 7.432 1.00 42.35 H new ATOM 0 HD2 PRO A 91 -13.265 2.106 7.443 1.00 60.31 H new ATOM 0 HD3 PRO A 91 -14.290 3.526 7.363 1.00 60.31 H new ATOM 1482 N VAL A 92 -12.653 3.203 2.125 1.00 4.01 N ATOM 1483 CA VAL A 92 -11.882 2.623 1.003 1.00 40.52 C ATOM 1484 C VAL A 92 -10.430 3.137 1.049 1.00 43.50 C ATOM 1485 O VAL A 92 -9.471 2.362 0.980 1.00 22.44 O ATOM 1486 CB VAL A 92 -12.534 2.975 -0.390 1.00 13.54 C ATOM 1487 CG1 VAL A 92 -11.738 2.347 -1.566 1.00 64.54 C ATOM 1488 CG2 VAL A 92 -14.026 2.552 -0.425 1.00 34.41 C ATOM 0 H VAL A 92 -13.338 3.900 1.833 1.00 4.01 H new ATOM 0 HA VAL A 92 -11.891 1.538 1.111 1.00 40.52 H new ATOM 0 HB VAL A 92 -12.491 4.057 -0.514 1.00 13.54 H new ATOM 0 HG11 VAL A 92 -12.215 2.610 -2.510 1.00 64.54 H new ATOM 0 HG12 VAL A 92 -10.716 2.727 -1.558 1.00 64.54 H new ATOM 0 HG13 VAL A 92 -11.723 1.263 -1.457 1.00 64.54 H new ATOM 0 HG21 VAL A 92 -14.453 2.805 -1.395 1.00 34.41 H new ATOM 0 HG22 VAL A 92 -14.103 1.477 -0.264 1.00 34.41 H new ATOM 0 HG23 VAL A 92 -14.571 3.077 0.360 1.00 34.41 H new ATOM 1498 N PHE A 93 -10.294 4.462 1.160 1.00 2.01 N ATOM 1499 CA PHE A 93 -8.999 5.134 1.311 1.00 14.32 C ATOM 1500 C PHE A 93 -8.812 5.464 2.795 1.00 60.02 C ATOM 1501 O PHE A 93 -9.670 6.101 3.391 1.00 42.22 O ATOM 1502 CB PHE A 93 -8.951 6.423 0.452 1.00 45.13 C ATOM 1503 CG PHE A 93 -9.254 6.228 -1.040 1.00 64.22 C ATOM 1504 CD1 PHE A 93 -8.716 5.156 -1.756 1.00 13.24 C ATOM 1505 CD2 PHE A 93 -10.063 7.127 -1.730 1.00 42.54 C ATOM 1506 CE1 PHE A 93 -8.980 4.996 -3.105 1.00 31.10 C ATOM 1507 CE2 PHE A 93 -10.327 6.964 -3.077 1.00 22.22 C ATOM 1508 CZ PHE A 93 -9.785 5.898 -3.766 1.00 73.12 C ATOM 0 H PHE A 93 -11.086 5.104 1.147 1.00 2.01 H new ATOM 0 HA PHE A 93 -8.194 4.484 0.967 1.00 14.32 H new ATOM 0 HB2 PHE A 93 -9.664 7.139 0.860 1.00 45.13 H new ATOM 0 HB3 PHE A 93 -7.961 6.868 0.550 1.00 45.13 H new ATOM 0 HD1 PHE A 93 -8.085 4.441 -1.249 1.00 13.24 H new ATOM 0 HD2 PHE A 93 -10.492 7.967 -1.203 1.00 42.54 H new ATOM 0 HE1 PHE A 93 -8.554 4.161 -3.642 1.00 31.10 H new ATOM 0 HE2 PHE A 93 -10.959 7.673 -3.592 1.00 22.22 H new ATOM 0 HZ PHE A 93 -9.991 5.771 -4.819 1.00 73.12 H new ATOM 1518 N VAL A 94 -7.709 5.006 3.392 1.00 2.34 N ATOM 1519 CA VAL A 94 -7.441 5.177 4.836 1.00 14.00 C ATOM 1520 C VAL A 94 -6.130 5.961 5.032 1.00 24.51 C ATOM 1521 O VAL A 94 -5.232 5.871 4.193 1.00 24.51 O ATOM 1522 CB VAL A 94 -7.363 3.775 5.552 1.00 63.44 C ATOM 1523 CG1 VAL A 94 -7.116 3.926 7.062 1.00 31.22 C ATOM 1524 CG2 VAL A 94 -8.640 2.938 5.282 1.00 74.13 C ATOM 0 H VAL A 94 -6.972 4.505 2.895 1.00 2.34 H new ATOM 0 HA VAL A 94 -8.259 5.741 5.285 1.00 14.00 H new ATOM 0 HB VAL A 94 -6.512 3.240 5.130 1.00 63.44 H new ATOM 0 HG11 VAL A 94 -7.068 2.940 7.523 1.00 31.22 H new ATOM 0 HG12 VAL A 94 -6.174 4.450 7.226 1.00 31.22 H new ATOM 0 HG13 VAL A 94 -7.931 4.496 7.509 1.00 31.22 H new ATOM 0 HG21 VAL A 94 -8.558 1.976 5.788 1.00 74.13 H new ATOM 0 HG22 VAL A 94 -9.512 3.473 5.658 1.00 74.13 H new ATOM 0 HG23 VAL A 94 -8.749 2.776 4.210 1.00 74.13 H new ATOM 1534 N LYS A 95 -6.035 6.733 6.136 1.00 10.31 N ATOM 1535 CA LYS A 95 -4.834 7.523 6.475 1.00 33.33 C ATOM 1536 C LYS A 95 -4.600 7.564 7.998 1.00 52.13 C ATOM 1537 O LYS A 95 -5.469 7.166 8.786 1.00 13.15 O ATOM 1538 CB LYS A 95 -4.948 8.963 5.916 1.00 61.25 C ATOM 1539 CG LYS A 95 -6.147 9.778 6.457 1.00 13.41 C ATOM 1540 CD LYS A 95 -6.198 11.216 5.885 1.00 53.42 C ATOM 1541 CE LYS A 95 -5.020 12.093 6.341 1.00 2.51 C ATOM 1542 NZ LYS A 95 -5.071 13.446 5.724 1.00 42.04 N ATOM 0 H LYS A 95 -6.789 6.825 6.816 1.00 10.31 H new ATOM 0 HA LYS A 95 -3.978 7.032 6.012 1.00 33.33 H new ATOM 0 HB2 LYS A 95 -4.028 9.501 6.146 1.00 61.25 H new ATOM 0 HB3 LYS A 95 -5.023 8.911 4.830 1.00 61.25 H new ATOM 0 HG2 LYS A 95 -7.074 9.260 6.211 1.00 13.41 H new ATOM 0 HG3 LYS A 95 -6.088 9.826 7.544 1.00 13.41 H new ATOM 0 HD2 LYS A 95 -6.205 11.167 4.796 1.00 53.42 H new ATOM 0 HD3 LYS A 95 -7.132 11.688 6.189 1.00 53.42 H new ATOM 0 HE2 LYS A 95 -5.035 12.187 7.427 1.00 2.51 H new ATOM 0 HE3 LYS A 95 -4.081 11.607 6.076 1.00 2.51 H new ATOM 0 HZ1 LYS A 95 -4.608 14.132 6.354 1.00 42.04 H new ATOM 0 HZ2 LYS A 95 -4.578 13.429 4.808 1.00 42.04 H new ATOM 0 HZ3 LYS A 95 -6.063 13.724 5.578 1.00 42.04 H new ATOM 1556 N GLY A 96 -3.401 8.038 8.381 1.00 31.50 N ATOM 1557 CA GLY A 96 -3.025 8.239 9.781 1.00 34.42 C ATOM 1558 C GLY A 96 -1.606 7.774 10.052 1.00 74.55 C ATOM 1559 O GLY A 96 -0.737 7.912 9.191 1.00 34.42 O ATOM 0 H GLY A 96 -2.666 8.292 7.721 1.00 31.50 H new ATOM 0 HA2 GLY A 96 -3.117 9.295 10.035 1.00 34.42 H new ATOM 0 HA3 GLY A 96 -3.716 7.695 10.425 1.00 34.42 H new ATOM 1563 N SER A 97 -1.367 7.248 11.262 1.00 33.42 N ATOM 1564 CA SER A 97 -0.096 6.582 11.620 1.00 72.40 C ATOM 1565 C SER A 97 -0.078 5.151 11.038 1.00 33.40 C ATOM 1566 O SER A 97 -1.061 4.718 10.431 1.00 4.11 O ATOM 1567 CB SER A 97 0.059 6.568 13.162 1.00 15.45 C ATOM 1568 OG SER A 97 1.270 5.943 13.570 1.00 30.24 O ATOM 0 H SER A 97 -2.046 7.270 12.023 1.00 33.42 H new ATOM 0 HA SER A 97 0.747 7.128 11.196 1.00 72.40 H new ATOM 0 HB2 SER A 97 0.034 7.591 13.538 1.00 15.45 H new ATOM 0 HB3 SER A 97 -0.787 6.044 13.607 1.00 15.45 H new ATOM 0 HG SER A 97 1.331 5.956 14.548 1.00 30.24 H new ATOM 1574 N LEU A 98 1.042 4.420 11.233 1.00 61.32 N ATOM 1575 CA LEU A 98 1.182 3.027 10.760 1.00 21.12 C ATOM 1576 C LEU A 98 0.111 2.123 11.411 1.00 53.12 C ATOM 1577 O LEU A 98 -0.583 1.365 10.722 1.00 63.34 O ATOM 1578 CB LEU A 98 2.608 2.483 11.063 1.00 0.51 C ATOM 1579 CG LEU A 98 2.898 1.021 10.577 1.00 22.10 C ATOM 1580 CD1 LEU A 98 2.787 0.900 9.041 1.00 14.13 C ATOM 1581 CD2 LEU A 98 4.265 0.518 11.086 1.00 32.41 C ATOM 0 H LEU A 98 1.866 4.776 11.718 1.00 61.32 H new ATOM 0 HA LEU A 98 1.034 3.018 9.680 1.00 21.12 H new ATOM 0 HB2 LEU A 98 3.336 3.150 10.602 1.00 0.51 H new ATOM 0 HB3 LEU A 98 2.772 2.527 12.140 1.00 0.51 H new ATOM 0 HG LEU A 98 2.132 0.377 11.009 1.00 22.10 H new ATOM 0 HD11 LEU A 98 2.995 -0.127 8.741 1.00 14.13 H new ATOM 0 HD12 LEU A 98 1.780 1.174 8.726 1.00 14.13 H new ATOM 0 HD13 LEU A 98 3.508 1.568 8.570 1.00 14.13 H new ATOM 0 HD21 LEU A 98 4.434 -0.499 10.731 1.00 32.41 H new ATOM 0 HD22 LEU A 98 5.055 1.169 10.712 1.00 32.41 H new ATOM 0 HD23 LEU A 98 4.273 0.527 12.176 1.00 32.41 H new ATOM 1593 N GLU A 99 -0.018 2.246 12.745 1.00 12.12 N ATOM 1594 CA GLU A 99 -0.998 1.478 13.536 1.00 62.30 C ATOM 1595 C GLU A 99 -2.433 1.967 13.282 1.00 74.05 C ATOM 1596 O GLU A 99 -3.338 1.162 13.093 1.00 32.24 O ATOM 1597 CB GLU A 99 -0.672 1.568 15.046 1.00 34.54 C ATOM 1598 CG GLU A 99 0.670 0.928 15.445 1.00 53.24 C ATOM 1599 CD GLU A 99 0.919 0.957 16.959 1.00 11.32 C ATOM 1600 OE1 GLU A 99 0.079 0.424 17.716 1.00 31.50 O ATOM 1601 OE2 GLU A 99 1.940 1.522 17.405 1.00 3.02 O ATOM 0 H GLU A 99 0.553 2.880 13.304 1.00 12.12 H new ATOM 0 HA GLU A 99 -0.930 0.438 13.218 1.00 62.30 H new ATOM 0 HB2 GLU A 99 -0.663 2.617 15.342 1.00 34.54 H new ATOM 0 HB3 GLU A 99 -1.472 1.086 15.608 1.00 34.54 H new ATOM 0 HG2 GLU A 99 0.691 -0.105 15.098 1.00 53.24 H new ATOM 0 HG3 GLU A 99 1.481 1.451 14.938 1.00 53.24 H new ATOM 1608 N SER A 100 -2.610 3.303 13.255 1.00 51.41 N ATOM 1609 CA SER A 100 -3.931 3.946 13.107 1.00 54.41 C ATOM 1610 C SER A 100 -4.605 3.556 11.781 1.00 73.23 C ATOM 1611 O SER A 100 -5.757 3.098 11.761 1.00 74.45 O ATOM 1612 CB SER A 100 -3.771 5.480 13.186 1.00 54.11 C ATOM 1613 OG SER A 100 -3.125 5.859 14.386 1.00 2.45 O ATOM 0 H SER A 100 -1.840 3.967 13.335 1.00 51.41 H new ATOM 0 HA SER A 100 -4.570 3.599 13.919 1.00 54.41 H new ATOM 0 HB2 SER A 100 -3.195 5.834 12.331 1.00 54.11 H new ATOM 0 HB3 SER A 100 -4.750 5.955 13.130 1.00 54.11 H new ATOM 0 HG SER A 100 -3.033 6.834 14.414 1.00 2.45 H new ATOM 1619 N ALA A 101 -3.844 3.722 10.683 1.00 21.34 N ATOM 1620 CA ALA A 101 -4.302 3.404 9.324 1.00 55.15 C ATOM 1621 C ALA A 101 -4.558 1.894 9.161 1.00 10.35 C ATOM 1622 O ALA A 101 -5.368 1.489 8.334 1.00 43.13 O ATOM 1623 CB ALA A 101 -3.292 3.916 8.283 1.00 2.14 C ATOM 0 H ALA A 101 -2.890 4.082 10.717 1.00 21.34 H new ATOM 0 HA ALA A 101 -5.251 3.914 9.155 1.00 55.15 H new ATOM 0 HB1 ALA A 101 -3.647 3.672 7.282 1.00 2.14 H new ATOM 0 HB2 ALA A 101 -3.188 4.997 8.378 1.00 2.14 H new ATOM 0 HB3 ALA A 101 -2.325 3.442 8.451 1.00 2.14 H new ATOM 1629 N ALA A 102 -3.863 1.076 9.974 1.00 10.21 N ATOM 1630 CA ALA A 102 -4.042 -0.385 10.000 1.00 13.23 C ATOM 1631 C ALA A 102 -5.419 -0.764 10.573 1.00 62.10 C ATOM 1632 O ALA A 102 -6.144 -1.578 9.992 1.00 22.14 O ATOM 1633 CB ALA A 102 -2.933 -1.024 10.836 1.00 25.41 C ATOM 0 H ALA A 102 -3.160 1.412 10.632 1.00 10.21 H new ATOM 0 HA ALA A 102 -3.988 -0.757 8.977 1.00 13.23 H new ATOM 0 HB1 ALA A 102 -3.068 -2.105 10.854 1.00 25.41 H new ATOM 0 HB2 ALA A 102 -1.964 -0.786 10.397 1.00 25.41 H new ATOM 0 HB3 ALA A 102 -2.975 -0.636 11.854 1.00 25.41 H new ATOM 1639 N GLU A 103 -5.765 -0.130 11.712 1.00 52.41 N ATOM 1640 CA GLU A 103 -7.018 -0.400 12.452 1.00 61.31 C ATOM 1641 C GLU A 103 -8.246 0.006 11.627 1.00 14.23 C ATOM 1642 O GLU A 103 -9.230 -0.735 11.550 1.00 44.42 O ATOM 1643 CB GLU A 103 -7.012 0.357 13.807 1.00 33.33 C ATOM 1644 CG GLU A 103 -5.812 0.022 14.706 1.00 33.54 C ATOM 1645 CD GLU A 103 -5.846 0.731 16.061 1.00 21.31 C ATOM 1646 OE1 GLU A 103 -6.642 0.318 16.932 1.00 32.10 O ATOM 1647 OE2 GLU A 103 -5.081 1.698 16.266 1.00 42.30 O ATOM 0 H GLU A 103 -5.183 0.586 12.147 1.00 52.41 H new ATOM 0 HA GLU A 103 -7.075 -1.472 12.641 1.00 61.31 H new ATOM 0 HB2 GLU A 103 -7.018 1.429 13.612 1.00 33.33 H new ATOM 0 HB3 GLU A 103 -7.931 0.125 14.345 1.00 33.33 H new ATOM 0 HG2 GLU A 103 -5.781 -1.055 14.870 1.00 33.54 H new ATOM 0 HG3 GLU A 103 -4.893 0.293 14.187 1.00 33.54 H new ATOM 1654 N GLN A 104 -8.158 1.182 10.993 1.00 31.23 N ATOM 1655 CA GLN A 104 -9.252 1.737 10.176 1.00 51.03 C ATOM 1656 C GLN A 104 -9.371 0.989 8.827 1.00 14.42 C ATOM 1657 O GLN A 104 -10.455 0.951 8.234 1.00 55.33 O ATOM 1658 CB GLN A 104 -9.025 3.251 9.956 1.00 12.21 C ATOM 1659 CG GLN A 104 -8.816 4.058 11.252 1.00 35.30 C ATOM 1660 CD GLN A 104 -8.425 5.514 10.992 1.00 11.12 C ATOM 1661 OE1 GLN A 104 -9.271 6.409 10.934 1.00 33.20 O ATOM 1662 NE2 GLN A 104 -7.139 5.751 10.790 1.00 53.44 N ATOM 0 H GLN A 104 -7.330 1.777 11.030 1.00 31.23 H new ATOM 0 HA GLN A 104 -10.193 1.599 10.709 1.00 51.03 H new ATOM 0 HB2 GLN A 104 -8.155 3.386 9.314 1.00 12.21 H new ATOM 0 HB3 GLN A 104 -9.882 3.661 9.421 1.00 12.21 H new ATOM 0 HG2 GLN A 104 -9.733 4.033 11.841 1.00 35.30 H new ATOM 0 HG3 GLN A 104 -8.040 3.580 11.850 1.00 35.30 H new ATOM 0 HE21 GLN A 104 -6.465 4.988 10.845 1.00 53.44 H new ATOM 0 HE22 GLN A 104 -6.822 6.697 10.579 1.00 53.44 H new ATOM 1671 N ALA A 105 -8.254 0.394 8.355 1.00 55.12 N ATOM 1672 CA ALA A 105 -8.243 -0.470 7.148 1.00 64.24 C ATOM 1673 C ALA A 105 -8.522 -1.942 7.506 1.00 21.12 C ATOM 1674 O ALA A 105 -8.653 -2.778 6.606 1.00 34.43 O ATOM 1675 CB ALA A 105 -6.911 -0.342 6.397 1.00 5.32 C ATOM 0 H ALA A 105 -7.339 0.496 8.794 1.00 55.12 H new ATOM 0 HA ALA A 105 -9.044 -0.128 6.493 1.00 64.24 H new ATOM 0 HB1 ALA A 105 -6.927 -0.984 5.516 1.00 5.32 H new ATOM 0 HB2 ALA A 105 -6.765 0.693 6.089 1.00 5.32 H new ATOM 0 HB3 ALA A 105 -6.094 -0.644 7.052 1.00 5.32 H new ATOM 1681 N GLY A 106 -8.575 -2.254 8.821 1.00 23.22 N ATOM 1682 CA GLY A 106 -8.976 -3.582 9.309 1.00 33.40 C ATOM 1683 C GLY A 106 -7.944 -4.675 9.049 1.00 72.15 C ATOM 1684 O GLY A 106 -8.287 -5.864 8.991 1.00 60.05 O ATOM 0 H GLY A 106 -8.342 -1.595 9.564 1.00 23.22 H new ATOM 0 HA2 GLY A 106 -9.165 -3.522 10.381 1.00 33.40 H new ATOM 0 HA3 GLY A 106 -9.916 -3.864 8.835 1.00 33.40 H new ATOM 1688 N ILE A 107 -6.683 -4.259 8.878 1.00 1.43 N ATOM 1689 CA ILE A 107 -5.542 -5.170 8.701 1.00 35.51 C ATOM 1690 C ILE A 107 -4.937 -5.464 10.085 1.00 10.21 C ATOM 1691 O ILE A 107 -4.909 -4.557 10.935 1.00 43.11 O ATOM 1692 CB ILE A 107 -4.426 -4.532 7.793 1.00 15.04 C ATOM 1693 CG1 ILE A 107 -5.022 -3.780 6.573 1.00 12.31 C ATOM 1694 CG2 ILE A 107 -3.420 -5.603 7.311 1.00 30.23 C ATOM 1695 CD1 ILE A 107 -3.988 -2.990 5.787 1.00 64.34 C ATOM 0 H ILE A 107 -6.422 -3.273 8.858 1.00 1.43 H new ATOM 0 HA ILE A 107 -5.898 -6.080 8.218 1.00 35.51 H new ATOM 0 HB ILE A 107 -3.901 -3.804 8.411 1.00 15.04 H new ATOM 0 HG12 ILE A 107 -5.499 -4.501 5.909 1.00 12.31 H new ATOM 0 HG13 ILE A 107 -5.801 -3.101 6.919 1.00 12.31 H new ATOM 0 HG21 ILE A 107 -2.660 -5.134 6.686 1.00 30.23 H new ATOM 0 HG22 ILE A 107 -2.943 -6.069 8.174 1.00 30.23 H new ATOM 0 HG23 ILE A 107 -3.946 -6.363 6.733 1.00 30.23 H new ATOM 0 HD11 ILE A 107 -4.473 -2.490 4.949 1.00 64.34 H new ATOM 0 HD12 ILE A 107 -3.528 -2.246 6.437 1.00 64.34 H new ATOM 0 HD13 ILE A 107 -3.221 -3.667 5.411 1.00 64.34 H new ATOM 1707 N VAL A 108 -4.448 -6.703 10.311 1.00 71.23 N ATOM 1708 CA VAL A 108 -3.818 -7.068 11.595 1.00 32.33 C ATOM 1709 C VAL A 108 -2.536 -6.231 11.794 1.00 31.25 C ATOM 1710 O VAL A 108 -1.533 -6.409 11.075 1.00 44.14 O ATOM 1711 CB VAL A 108 -3.497 -8.601 11.709 1.00 34.11 C ATOM 1712 CG1 VAL A 108 -2.888 -8.941 13.094 1.00 73.24 C ATOM 1713 CG2 VAL A 108 -4.751 -9.456 11.412 1.00 70.42 C ATOM 0 H VAL A 108 -4.478 -7.459 9.627 1.00 71.23 H new ATOM 0 HA VAL A 108 -4.536 -6.847 12.385 1.00 32.33 H new ATOM 0 HB VAL A 108 -2.750 -8.846 10.954 1.00 34.11 H new ATOM 0 HG11 VAL A 108 -2.675 -10.009 13.146 1.00 73.24 H new ATOM 0 HG12 VAL A 108 -1.964 -8.380 13.233 1.00 73.24 H new ATOM 0 HG13 VAL A 108 -3.596 -8.674 13.878 1.00 73.24 H new ATOM 0 HG21 VAL A 108 -4.499 -10.513 11.498 1.00 70.42 H new ATOM 0 HG22 VAL A 108 -5.536 -9.210 12.127 1.00 70.42 H new ATOM 0 HG23 VAL A 108 -5.102 -9.248 10.401 1.00 70.42 H new ATOM 1723 N VAL A 109 -2.623 -5.305 12.766 1.00 13.34 N ATOM 1724 CA VAL A 109 -1.598 -4.288 13.049 1.00 4.12 C ATOM 1725 C VAL A 109 -0.215 -4.926 13.262 1.00 31.03 C ATOM 1726 O VAL A 109 0.745 -4.550 12.601 1.00 50.02 O ATOM 1727 CB VAL A 109 -1.996 -3.428 14.312 1.00 24.42 C ATOM 1728 CG1 VAL A 109 -0.925 -2.357 14.646 1.00 30.11 C ATOM 1729 CG2 VAL A 109 -3.392 -2.783 14.124 1.00 74.13 C ATOM 0 H VAL A 109 -3.427 -5.243 13.390 1.00 13.34 H new ATOM 0 HA VAL A 109 -1.540 -3.634 12.179 1.00 4.12 H new ATOM 0 HB VAL A 109 -2.046 -4.106 15.164 1.00 24.42 H new ATOM 0 HG11 VAL A 109 -1.239 -1.789 15.521 1.00 30.11 H new ATOM 0 HG12 VAL A 109 0.027 -2.846 14.854 1.00 30.11 H new ATOM 0 HG13 VAL A 109 -0.808 -1.682 13.798 1.00 30.11 H new ATOM 0 HG21 VAL A 109 -3.643 -2.196 15.007 1.00 74.13 H new ATOM 0 HG22 VAL A 109 -3.378 -2.134 13.249 1.00 74.13 H new ATOM 0 HG23 VAL A 109 -4.138 -3.565 13.984 1.00 74.13 H new ATOM 1739 N ASP A 110 -0.165 -5.936 14.143 1.00 22.25 N ATOM 1740 CA ASP A 110 1.090 -6.588 14.568 1.00 21.34 C ATOM 1741 C ASP A 110 1.807 -7.273 13.387 1.00 14.05 C ATOM 1742 O ASP A 110 3.042 -7.232 13.298 1.00 74.32 O ATOM 1743 CB ASP A 110 0.802 -7.608 15.707 1.00 1.01 C ATOM 1744 CG ASP A 110 2.085 -8.169 16.354 1.00 43.40 C ATOM 1745 OD1 ASP A 110 2.694 -7.463 17.189 1.00 62.02 O ATOM 1746 OD2 ASP A 110 2.489 -9.310 16.038 1.00 15.23 O ATOM 0 H ASP A 110 -0.996 -6.328 14.585 1.00 22.25 H new ATOM 0 HA ASP A 110 1.759 -5.815 14.946 1.00 21.34 H new ATOM 0 HB2 ASP A 110 0.196 -7.126 16.474 1.00 1.01 H new ATOM 0 HB3 ASP A 110 0.213 -8.433 15.307 1.00 1.01 H new ATOM 1751 N GLU A 111 1.021 -7.857 12.459 1.00 25.12 N ATOM 1752 CA GLU A 111 1.570 -8.561 11.286 1.00 23.55 C ATOM 1753 C GLU A 111 2.204 -7.571 10.291 1.00 50.25 C ATOM 1754 O GLU A 111 3.300 -7.830 9.776 1.00 30.33 O ATOM 1755 CB GLU A 111 0.492 -9.419 10.578 1.00 43.05 C ATOM 1756 CG GLU A 111 -0.088 -10.560 11.433 1.00 74.33 C ATOM 1757 CD GLU A 111 0.960 -11.582 11.911 1.00 1.23 C ATOM 1758 OE1 GLU A 111 1.580 -12.253 11.059 1.00 11.11 O ATOM 1759 OE2 GLU A 111 1.156 -11.729 13.134 1.00 52.13 O ATOM 0 H GLU A 111 0.002 -7.854 12.501 1.00 25.12 H new ATOM 0 HA GLU A 111 2.348 -9.232 11.650 1.00 23.55 H new ATOM 0 HB2 GLU A 111 -0.324 -8.767 10.265 1.00 43.05 H new ATOM 0 HB3 GLU A 111 0.924 -9.846 9.673 1.00 43.05 H new ATOM 0 HG2 GLU A 111 -0.585 -10.131 12.303 1.00 74.33 H new ATOM 0 HG3 GLU A 111 -0.851 -11.081 10.855 1.00 74.33 H new ATOM 1766 N LEU A 112 1.526 -6.428 10.023 1.00 11.44 N ATOM 1767 CA LEU A 112 2.079 -5.423 9.088 1.00 53.14 C ATOM 1768 C LEU A 112 3.223 -4.617 9.722 1.00 42.23 C ATOM 1769 O LEU A 112 4.098 -4.153 9.005 1.00 35.13 O ATOM 1770 CB LEU A 112 0.989 -4.499 8.472 1.00 62.00 C ATOM 1771 CG LEU A 112 0.111 -3.620 9.431 1.00 13.32 C ATOM 1772 CD1 LEU A 112 0.849 -2.374 9.989 1.00 61.41 C ATOM 1773 CD2 LEU A 112 -1.179 -3.201 8.728 1.00 4.43 C ATOM 0 H LEU A 112 0.622 -6.185 10.428 1.00 11.44 H new ATOM 0 HA LEU A 112 2.502 -5.986 8.256 1.00 53.14 H new ATOM 0 HB2 LEU A 112 1.484 -3.828 7.770 1.00 62.00 H new ATOM 0 HB3 LEU A 112 0.314 -5.127 7.890 1.00 62.00 H new ATOM 0 HG LEU A 112 -0.120 -4.246 10.293 1.00 13.32 H new ATOM 0 HD11 LEU A 112 0.178 -1.817 10.643 1.00 61.41 H new ATOM 0 HD12 LEU A 112 1.725 -2.693 10.554 1.00 61.41 H new ATOM 0 HD13 LEU A 112 1.163 -1.736 9.162 1.00 61.41 H new ATOM 0 HD21 LEU A 112 -1.780 -2.592 9.403 1.00 4.43 H new ATOM 0 HD22 LEU A 112 -0.936 -2.623 7.836 1.00 4.43 H new ATOM 0 HD23 LEU A 112 -1.743 -4.089 8.442 1.00 4.43 H new ATOM 1785 N VAL A 113 3.204 -4.452 11.068 1.00 3.21 N ATOM 1786 CA VAL A 113 4.320 -3.815 11.805 1.00 12.11 C ATOM 1787 C VAL A 113 5.603 -4.615 11.558 1.00 12.00 C ATOM 1788 O VAL A 113 6.673 -4.038 11.353 1.00 75.42 O ATOM 1789 CB VAL A 113 4.027 -3.670 13.358 1.00 5.42 C ATOM 1790 CG1 VAL A 113 5.306 -3.324 14.171 1.00 74.43 C ATOM 1791 CG2 VAL A 113 2.929 -2.601 13.612 1.00 42.21 C ATOM 0 H VAL A 113 2.430 -4.751 11.662 1.00 3.21 H new ATOM 0 HA VAL A 113 4.439 -2.799 11.428 1.00 12.11 H new ATOM 0 HB VAL A 113 3.671 -4.640 13.704 1.00 5.42 H new ATOM 0 HG11 VAL A 113 5.053 -3.236 15.227 1.00 74.43 H new ATOM 0 HG12 VAL A 113 6.045 -4.114 14.040 1.00 74.43 H new ATOM 0 HG13 VAL A 113 5.718 -2.379 13.816 1.00 74.43 H new ATOM 0 HG21 VAL A 113 2.743 -2.517 14.683 1.00 42.21 H new ATOM 0 HG22 VAL A 113 3.262 -1.638 13.225 1.00 42.21 H new ATOM 0 HG23 VAL A 113 2.010 -2.896 13.106 1.00 42.21 H new ATOM 1801 N GLN A 114 5.450 -5.953 11.513 1.00 31.42 N ATOM 1802 CA GLN A 114 6.531 -6.868 11.144 1.00 53.51 C ATOM 1803 C GLN A 114 6.971 -6.627 9.687 1.00 15.21 C ATOM 1804 O GLN A 114 8.132 -6.325 9.447 1.00 23.45 O ATOM 1805 CB GLN A 114 6.110 -8.348 11.358 1.00 54.31 C ATOM 1806 CG GLN A 114 5.983 -8.778 12.832 1.00 43.13 C ATOM 1807 CD GLN A 114 7.308 -8.698 13.597 1.00 2.03 C ATOM 1808 OE1 GLN A 114 8.092 -9.650 13.606 1.00 14.13 O ATOM 1809 NE2 GLN A 114 7.562 -7.577 14.259 1.00 71.33 N ATOM 0 H GLN A 114 4.572 -6.423 11.732 1.00 31.42 H new ATOM 0 HA GLN A 114 7.381 -6.667 11.796 1.00 53.51 H new ATOM 0 HB2 GLN A 114 5.154 -8.514 10.862 1.00 54.31 H new ATOM 0 HB3 GLN A 114 6.839 -8.993 10.868 1.00 54.31 H new ATOM 0 HG2 GLN A 114 5.246 -8.146 13.327 1.00 43.13 H new ATOM 0 HG3 GLN A 114 5.606 -9.800 12.875 1.00 43.13 H new ATOM 0 HE21 GLN A 114 6.894 -6.807 14.233 1.00 71.33 H new ATOM 0 HE22 GLN A 114 8.425 -7.485 14.794 1.00 71.33 H new ATOM 1818 N THR A 115 6.023 -6.701 8.728 1.00 1.32 N ATOM 1819 CA THR A 115 6.358 -6.639 7.287 1.00 21.30 C ATOM 1820 C THR A 115 6.950 -5.262 6.874 1.00 44.11 C ATOM 1821 O THR A 115 7.712 -5.185 5.914 1.00 72.33 O ATOM 1822 CB THR A 115 5.133 -7.010 6.372 1.00 71.02 C ATOM 1823 OG1 THR A 115 5.601 -7.560 5.129 1.00 63.25 O ATOM 1824 CG2 THR A 115 4.222 -5.811 6.049 1.00 1.20 C ATOM 0 H THR A 115 5.027 -6.803 8.922 1.00 1.32 H new ATOM 0 HA THR A 115 7.131 -7.392 7.131 1.00 21.30 H new ATOM 0 HB THR A 115 4.546 -7.734 6.937 1.00 71.02 H new ATOM 0 HG1 THR A 115 4.834 -7.791 4.564 1.00 63.25 H new ATOM 0 HG21 THR A 115 3.399 -6.140 5.415 1.00 1.20 H new ATOM 0 HG22 THR A 115 3.823 -5.397 6.975 1.00 1.20 H new ATOM 0 HG23 THR A 115 4.798 -5.046 5.528 1.00 1.20 H new ATOM 1832 N VAL A 116 6.585 -4.190 7.618 1.00 21.13 N ATOM 1833 CA VAL A 116 7.035 -2.809 7.343 1.00 73.31 C ATOM 1834 C VAL A 116 8.424 -2.556 7.961 1.00 51.15 C ATOM 1835 O VAL A 116 9.282 -1.961 7.304 1.00 71.34 O ATOM 1836 CB VAL A 116 5.977 -1.742 7.849 1.00 11.41 C ATOM 1837 CG1 VAL A 116 6.536 -0.291 7.838 1.00 22.32 C ATOM 1838 CG2 VAL A 116 4.675 -1.830 7.004 1.00 1.52 C ATOM 0 H VAL A 116 5.968 -4.262 8.427 1.00 21.13 H new ATOM 0 HA VAL A 116 7.119 -2.693 6.262 1.00 73.31 H new ATOM 0 HB VAL A 116 5.751 -1.985 8.887 1.00 11.41 H new ATOM 0 HG11 VAL A 116 5.769 0.397 8.194 1.00 22.32 H new ATOM 0 HG12 VAL A 116 7.407 -0.232 8.490 1.00 22.32 H new ATOM 0 HG13 VAL A 116 6.824 -0.020 6.822 1.00 22.32 H new ATOM 0 HG21 VAL A 116 3.958 -1.092 7.363 1.00 1.52 H new ATOM 0 HG22 VAL A 116 4.906 -1.632 5.957 1.00 1.52 H new ATOM 0 HG23 VAL A 116 4.247 -2.828 7.099 1.00 1.52 H new ATOM 1848 N LYS A 117 8.658 -3.029 9.206 1.00 72.22 N ATOM 1849 CA LYS A 117 9.974 -2.856 9.868 1.00 33.20 C ATOM 1850 C LYS A 117 11.035 -3.740 9.183 1.00 43.33 C ATOM 1851 O LYS A 117 12.204 -3.353 9.081 1.00 40.33 O ATOM 1852 CB LYS A 117 9.907 -3.175 11.392 1.00 11.04 C ATOM 1853 CG LYS A 117 9.731 -4.672 11.755 1.00 23.55 C ATOM 1854 CD LYS A 117 9.577 -4.919 13.270 1.00 71.04 C ATOM 1855 CE LYS A 117 10.828 -4.533 14.080 1.00 21.24 C ATOM 1856 NZ LYS A 117 10.618 -4.719 15.544 1.00 34.33 N ATOM 0 H LYS A 117 7.966 -3.526 9.766 1.00 72.22 H new ATOM 0 HA LYS A 117 10.257 -1.808 9.766 1.00 33.20 H new ATOM 0 HB2 LYS A 117 10.820 -2.810 11.862 1.00 11.04 H new ATOM 0 HB3 LYS A 117 9.079 -2.614 11.826 1.00 11.04 H new ATOM 0 HG2 LYS A 117 8.854 -5.063 11.239 1.00 23.55 H new ATOM 0 HG3 LYS A 117 10.592 -5.231 11.388 1.00 23.55 H new ATOM 0 HD2 LYS A 117 8.724 -4.350 13.639 1.00 71.04 H new ATOM 0 HD3 LYS A 117 9.354 -5.973 13.439 1.00 71.04 H new ATOM 0 HE2 LYS A 117 11.673 -5.139 13.754 1.00 21.24 H new ATOM 0 HE3 LYS A 117 11.085 -3.493 13.879 1.00 21.24 H new ATOM 0 HZ1 LYS A 117 11.482 -4.449 16.056 1.00 34.33 H new ATOM 0 HZ2 LYS A 117 9.827 -4.122 15.860 1.00 34.33 H new ATOM 0 HZ3 LYS A 117 10.398 -5.717 15.739 1.00 34.33 H new ATOM 1870 N ASN A 118 10.597 -4.924 8.708 1.00 14.51 N ATOM 1871 CA ASN A 118 11.459 -5.870 7.983 1.00 55.41 C ATOM 1872 C ASN A 118 11.733 -5.351 6.575 1.00 54.21 C ATOM 1873 O ASN A 118 12.852 -5.501 6.077 1.00 21.43 O ATOM 1874 CB ASN A 118 10.839 -7.294 7.937 1.00 41.53 C ATOM 1875 CG ASN A 118 10.748 -7.954 9.320 1.00 3.43 C ATOM 1876 OD1 ASN A 118 11.571 -7.702 10.207 1.00 33.54 O ATOM 1877 ND2 ASN A 118 9.750 -8.804 9.514 1.00 1.14 N ATOM 0 H ASN A 118 9.636 -5.248 8.818 1.00 14.51 H new ATOM 0 HA ASN A 118 12.403 -5.948 8.522 1.00 55.41 H new ATOM 0 HB2 ASN A 118 9.841 -7.236 7.502 1.00 41.53 H new ATOM 0 HB3 ASN A 118 11.438 -7.924 7.279 1.00 41.53 H new ATOM 0 HD21 ASN A 118 9.645 -9.271 10.415 1.00 1.14 H new ATOM 0 HD22 ASN A 118 9.086 -8.992 8.762 1.00 1.14 H new ATOM 1884 N TYR A 119 10.699 -4.720 5.954 1.00 31.14 N ATOM 1885 CA TYR A 119 10.837 -4.031 4.659 1.00 1.31 C ATOM 1886 C TYR A 119 11.939 -2.976 4.761 1.00 5.54 C ATOM 1887 O TYR A 119 13.011 -3.156 4.190 1.00 13.32 O ATOM 1888 CB TYR A 119 9.495 -3.379 4.202 1.00 42.12 C ATOM 1889 CG TYR A 119 9.589 -2.531 2.920 1.00 20.01 C ATOM 1890 CD1 TYR A 119 9.876 -3.118 1.687 1.00 33.54 C ATOM 1891 CD2 TYR A 119 9.403 -1.142 2.946 1.00 62.31 C ATOM 1892 CE1 TYR A 119 9.977 -2.363 0.537 1.00 20.33 C ATOM 1893 CE2 TYR A 119 9.500 -0.386 1.796 1.00 5.15 C ATOM 1894 CZ TYR A 119 9.792 -1.003 0.593 1.00 32.10 C ATOM 1895 OH TYR A 119 9.896 -0.257 -0.562 1.00 31.42 O ATOM 0 H TYR A 119 9.756 -4.680 6.341 1.00 31.14 H new ATOM 0 HA TYR A 119 11.106 -4.771 3.905 1.00 1.31 H new ATOM 0 HB2 TYR A 119 8.760 -4.168 4.045 1.00 42.12 H new ATOM 0 HB3 TYR A 119 9.120 -2.750 5.009 1.00 42.12 H new ATOM 0 HD1 TYR A 119 10.022 -4.187 1.632 1.00 33.54 H new ATOM 0 HD2 TYR A 119 9.180 -0.655 3.884 1.00 62.31 H new ATOM 0 HE1 TYR A 119 10.201 -2.840 -0.406 1.00 20.33 H new ATOM 0 HE2 TYR A 119 9.349 0.683 1.835 1.00 5.15 H new ATOM 0 HH TYR A 119 10.059 0.682 -0.332 1.00 31.42 H new ATOM 1905 N GLN A 120 11.686 -1.937 5.588 1.00 43.34 N ATOM 1906 CA GLN A 120 12.596 -0.791 5.766 1.00 32.42 C ATOM 1907 C GLN A 120 13.986 -1.240 6.249 1.00 34.54 C ATOM 1908 O GLN A 120 14.996 -0.597 5.936 1.00 32.32 O ATOM 1909 CB GLN A 120 11.998 0.237 6.758 1.00 21.05 C ATOM 1910 CG GLN A 120 10.629 0.815 6.336 1.00 13.04 C ATOM 1911 CD GLN A 120 10.130 1.926 7.256 1.00 21.14 C ATOM 1912 OE1 GLN A 120 9.367 2.851 6.707 1.00 35.22 O flip ATOM 1913 NE2 GLN A 120 10.416 1.949 8.451 1.00 51.33 N flip ATOM 0 H GLN A 120 10.839 -1.873 6.152 1.00 43.34 H new ATOM 0 HA GLN A 120 12.713 -0.317 4.791 1.00 32.42 H new ATOM 0 HB2 GLN A 120 11.892 -0.238 7.733 1.00 21.05 H new ATOM 0 HB3 GLN A 120 12.703 1.059 6.878 1.00 21.05 H new ATOM 0 HG2 GLN A 120 10.704 1.201 5.320 1.00 13.04 H new ATOM 0 HG3 GLN A 120 9.893 0.011 6.318 1.00 13.04 H new ATOM 0 HE21 GLN A 120 11.008 1.220 8.848 1.00 51.33 H new ATOM 0 HE22 GLN A 120 10.061 2.697 9.046 1.00 51.33 H new ATOM 1922 N GLY A 121 14.021 -2.373 6.971 1.00 11.51 N ATOM 1923 CA GLY A 121 15.257 -2.943 7.475 1.00 3.42 C ATOM 1924 C GLY A 121 16.128 -3.461 6.348 1.00 62.11 C ATOM 1925 O GLY A 121 17.298 -3.084 6.236 1.00 41.31 O ATOM 0 H GLY A 121 13.189 -2.910 7.215 1.00 11.51 H new ATOM 0 HA2 GLY A 121 15.803 -2.188 8.041 1.00 3.42 H new ATOM 0 HA3 GLY A 121 15.030 -3.756 8.164 1.00 3.42 H new ATOM 1929 N TYR A 122 15.532 -4.283 5.467 1.00 52.10 N ATOM 1930 CA TYR A 122 16.266 -4.898 4.358 1.00 73.53 C ATOM 1931 C TYR A 122 16.554 -3.885 3.225 1.00 1.23 C ATOM 1932 O TYR A 122 17.441 -4.117 2.398 1.00 72.14 O ATOM 1933 CB TYR A 122 15.557 -6.201 3.863 1.00 42.22 C ATOM 1934 CG TYR A 122 14.214 -6.111 3.082 1.00 10.32 C ATOM 1935 CD1 TYR A 122 14.043 -5.295 1.959 1.00 2.31 C ATOM 1936 CD2 TYR A 122 13.137 -6.944 3.414 1.00 60.24 C ATOM 1937 CE1 TYR A 122 12.884 -5.300 1.223 1.00 53.15 C ATOM 1938 CE2 TYR A 122 11.967 -6.938 2.681 1.00 43.52 C ATOM 1939 CZ TYR A 122 11.851 -6.120 1.581 1.00 14.53 C ATOM 1940 OH TYR A 122 10.707 -6.134 0.819 1.00 71.23 O ATOM 0 H TYR A 122 14.544 -4.534 5.505 1.00 52.10 H new ATOM 0 HA TYR A 122 17.244 -5.205 4.730 1.00 73.53 H new ATOM 0 HB2 TYR A 122 16.265 -6.734 3.228 1.00 42.22 H new ATOM 0 HB3 TYR A 122 15.381 -6.826 4.738 1.00 42.22 H new ATOM 0 HD1 TYR A 122 14.848 -4.640 1.661 1.00 2.31 H new ATOM 0 HD2 TYR A 122 13.224 -7.606 4.263 1.00 60.24 H new ATOM 0 HE1 TYR A 122 12.789 -4.656 0.361 1.00 53.15 H new ATOM 0 HE2 TYR A 122 11.144 -7.575 2.971 1.00 43.52 H new ATOM 0 HH TYR A 122 10.169 -6.920 1.051 1.00 71.23 H new ATOM 1950 N VAL A 123 15.771 -2.777 3.189 1.00 41.53 N ATOM 1951 CA VAL A 123 15.966 -1.664 2.230 1.00 52.34 C ATOM 1952 C VAL A 123 17.343 -1.016 2.444 1.00 10.42 C ATOM 1953 O VAL A 123 18.131 -0.877 1.500 1.00 4.54 O ATOM 1954 CB VAL A 123 14.829 -0.566 2.359 1.00 62.24 C ATOM 1955 CG1 VAL A 123 15.168 0.713 1.551 1.00 53.43 C ATOM 1956 CG2 VAL A 123 13.452 -1.126 1.927 1.00 63.42 C ATOM 0 H VAL A 123 14.987 -2.632 3.825 1.00 41.53 H new ATOM 0 HA VAL A 123 15.911 -2.084 1.226 1.00 52.34 H new ATOM 0 HB VAL A 123 14.774 -0.292 3.413 1.00 62.24 H new ATOM 0 HG11 VAL A 123 14.364 1.440 1.666 1.00 53.43 H new ATOM 0 HG12 VAL A 123 16.100 1.141 1.921 1.00 53.43 H new ATOM 0 HG13 VAL A 123 15.279 0.459 0.497 1.00 53.43 H new ATOM 0 HG21 VAL A 123 12.695 -0.348 2.028 1.00 63.42 H new ATOM 0 HG22 VAL A 123 13.502 -1.452 0.888 1.00 63.42 H new ATOM 0 HG23 VAL A 123 13.188 -1.973 2.561 1.00 63.42 H new ATOM 1966 N GLN A 124 17.630 -0.651 3.708 1.00 1.22 N ATOM 1967 CA GLN A 124 18.905 -0.013 4.083 1.00 14.12 C ATOM 1968 C GLN A 124 20.058 -1.039 4.117 1.00 4.43 C ATOM 1969 O GLN A 124 21.232 -0.653 4.105 1.00 23.34 O ATOM 1970 CB GLN A 124 18.766 0.743 5.427 1.00 61.23 C ATOM 1971 CG GLN A 124 18.255 -0.107 6.607 1.00 65.35 C ATOM 1972 CD GLN A 124 18.049 0.693 7.898 1.00 5.31 C ATOM 1973 OE1 GLN A 124 17.748 1.892 7.868 1.00 74.03 O ATOM 1974 NE2 GLN A 124 18.180 0.036 9.041 1.00 63.54 N ATOM 0 H GLN A 124 16.991 -0.789 4.491 1.00 1.22 H new ATOM 0 HA GLN A 124 19.155 0.721 3.317 1.00 14.12 H new ATOM 0 HB2 GLN A 124 19.737 1.160 5.694 1.00 61.23 H new ATOM 0 HB3 GLN A 124 18.087 1.584 5.284 1.00 61.23 H new ATOM 0 HG2 GLN A 124 17.312 -0.574 6.325 1.00 65.35 H new ATOM 0 HG3 GLN A 124 18.965 -0.912 6.798 1.00 65.35 H new ATOM 0 HE21 GLN A 124 18.429 -0.953 9.035 1.00 63.54 H new ATOM 0 HE22 GLN A 124 18.032 0.519 9.927 1.00 63.54 H new ATOM 1983 N ASP A 125 19.715 -2.340 4.167 1.00 53.31 N ATOM 1984 CA ASP A 125 20.694 -3.440 4.004 1.00 12.40 C ATOM 1985 C ASP A 125 20.952 -3.735 2.512 1.00 31.00 C ATOM 1986 O ASP A 125 21.941 -4.390 2.166 1.00 75.02 O ATOM 1987 CB ASP A 125 20.212 -4.726 4.726 1.00 15.23 C ATOM 1988 CG ASP A 125 20.241 -4.628 6.263 1.00 72.45 C ATOM 1989 OD1 ASP A 125 21.253 -4.158 6.826 1.00 1.20 O ATOM 1990 OD2 ASP A 125 19.276 -5.059 6.916 1.00 4.13 O ATOM 0 H ASP A 125 18.759 -2.660 4.320 1.00 53.31 H new ATOM 0 HA ASP A 125 21.630 -3.117 4.460 1.00 12.40 H new ATOM 0 HB2 ASP A 125 19.195 -4.951 4.405 1.00 15.23 H new ATOM 0 HB3 ASP A 125 20.837 -5.562 4.413 1.00 15.23 H new ATOM 1995 N GLY A 126 20.039 -3.260 1.643 1.00 72.10 N ATOM 1996 CA GLY A 126 20.207 -3.347 0.193 1.00 54.12 C ATOM 1997 C GLY A 126 19.974 -4.742 -0.385 1.00 60.24 C ATOM 1998 O GLY A 126 20.632 -5.130 -1.359 1.00 62.03 O ATOM 0 H GLY A 126 19.171 -2.809 1.932 1.00 72.10 H new ATOM 0 HA2 GLY A 126 19.518 -2.650 -0.283 1.00 54.12 H new ATOM 0 HA3 GLY A 126 21.216 -3.024 -0.064 1.00 54.12 H new ATOM 2002 N HIS A 127 19.039 -5.497 0.211 1.00 54.35 N ATOM 2003 CA HIS A 127 18.666 -6.843 -0.265 1.00 14.51 C ATOM 2004 C HIS A 127 17.222 -7.165 0.144 1.00 70.24 C ATOM 2005 O HIS A 127 16.914 -7.152 1.326 1.00 42.21 O ATOM 2006 CB HIS A 127 19.641 -7.908 0.310 1.00 73.12 C ATOM 2007 CG HIS A 127 19.242 -9.343 0.052 1.00 12.43 C ATOM 2008 ND1 HIS A 127 19.479 -9.990 -1.136 1.00 10.40 N ATOM 2009 CD2 HIS A 127 18.638 -10.260 0.854 1.00 35.22 C ATOM 2010 CE1 HIS A 127 19.039 -11.227 -1.061 1.00 15.11 C ATOM 2011 NE2 HIS A 127 18.527 -11.417 0.134 1.00 12.30 N ATOM 0 H HIS A 127 18.519 -5.195 1.035 1.00 54.35 H new ATOM 0 HA HIS A 127 18.735 -6.862 -1.353 1.00 14.51 H new ATOM 0 HB2 HIS A 127 20.631 -7.740 -0.114 1.00 73.12 H new ATOM 0 HB3 HIS A 127 19.726 -7.758 1.386 1.00 73.12 H new ATOM 0 HD2 HIS A 127 18.308 -10.104 1.870 1.00 35.22 H new ATOM 0 HE1 HIS A 127 19.090 -11.963 -1.849 1.00 15.11 H new ATOM 0 HE2 HIS A 127 18.114 -12.287 0.470 1.00 12.30 H new ATOM 2020 N ASP A 128 16.361 -7.482 -0.836 1.00 21.23 N ATOM 2021 CA ASP A 128 14.951 -7.826 -0.579 1.00 31.15 C ATOM 2022 C ASP A 128 14.836 -9.251 0.010 1.00 23.22 C ATOM 2023 O ASP A 128 15.585 -10.157 -0.373 1.00 53.53 O ATOM 2024 CB ASP A 128 14.106 -7.672 -1.871 1.00 0.23 C ATOM 2025 CG ASP A 128 14.446 -8.695 -2.969 1.00 0.24 C ATOM 2026 OD1 ASP A 128 15.567 -8.631 -3.527 1.00 14.13 O ATOM 2027 OD2 ASP A 128 13.612 -9.573 -3.268 1.00 22.44 O ATOM 0 H ASP A 128 16.619 -7.507 -1.823 1.00 21.23 H new ATOM 0 HA ASP A 128 14.553 -7.131 0.160 1.00 31.15 H new ATOM 0 HB2 ASP A 128 13.051 -7.766 -1.616 1.00 0.23 H new ATOM 0 HB3 ASP A 128 14.249 -6.667 -2.268 1.00 0.23 H new ATOM 2032 N HIS A 129 13.915 -9.426 0.977 1.00 45.13 N ATOM 2033 CA HIS A 129 13.711 -10.707 1.701 1.00 72.31 C ATOM 2034 C HIS A 129 12.420 -11.393 1.241 1.00 32.52 C ATOM 2035 O HIS A 129 12.436 -12.546 0.797 1.00 13.03 O ATOM 2036 CB HIS A 129 13.645 -10.480 3.240 1.00 24.13 C ATOM 2037 CG HIS A 129 14.951 -10.177 3.918 1.00 42.32 C ATOM 2038 ND1 HIS A 129 15.129 -10.338 5.275 1.00 33.40 N ATOM 2039 CD2 HIS A 129 16.135 -9.728 3.443 1.00 64.33 C ATOM 2040 CE1 HIS A 129 16.353 -10.002 5.600 1.00 31.10 C ATOM 2041 NE2 HIS A 129 16.982 -9.633 4.510 1.00 30.34 N ATOM 0 H HIS A 129 13.286 -8.683 1.283 1.00 45.13 H new ATOM 0 HA HIS A 129 14.564 -11.346 1.472 1.00 72.31 H new ATOM 0 HB2 HIS A 129 12.957 -9.658 3.437 1.00 24.13 H new ATOM 0 HB3 HIS A 129 13.217 -11.371 3.701 1.00 24.13 H new ATOM 0 HD2 HIS A 129 16.367 -9.490 2.415 1.00 64.33 H new ATOM 0 HE1 HIS A 129 16.772 -10.025 6.595 1.00 31.10 H new ATOM 0 HE2 HIS A 129 17.953 -9.323 4.466 1.00 30.34 H new ATOM 2050 N ASP A 130 11.289 -10.681 1.374 1.00 40.33 N ATOM 2051 CA ASP A 130 9.955 -11.245 1.116 1.00 63.12 C ATOM 2052 C ASP A 130 9.510 -10.951 -0.333 1.00 11.21 C ATOM 2053 O ASP A 130 8.457 -10.358 -0.571 1.00 34.44 O ATOM 2054 CB ASP A 130 8.936 -10.751 2.203 1.00 41.33 C ATOM 2055 CG ASP A 130 8.896 -9.222 2.477 1.00 23.14 C ATOM 2056 OD1 ASP A 130 9.147 -8.416 1.563 1.00 23.42 O ATOM 2057 OD2 ASP A 130 8.570 -8.817 3.620 1.00 32.44 O ATOM 0 H ASP A 130 11.274 -9.703 1.662 1.00 40.33 H new ATOM 0 HA ASP A 130 9.992 -12.331 1.202 1.00 63.12 H new ATOM 0 HB2 ASP A 130 7.938 -11.069 1.903 1.00 41.33 H new ATOM 0 HB3 ASP A 130 9.165 -11.259 3.140 1.00 41.33 H new ATOM 2062 N PHE A 131 10.339 -11.437 -1.291 1.00 23.14 N ATOM 2063 CA PHE A 131 10.192 -11.222 -2.755 1.00 14.42 C ATOM 2064 C PHE A 131 9.792 -9.775 -3.109 1.00 60.24 C ATOM 2065 O PHE A 131 8.722 -9.510 -3.662 1.00 1.54 O ATOM 2066 CB PHE A 131 9.303 -12.311 -3.468 1.00 13.33 C ATOM 2067 CG PHE A 131 7.909 -12.579 -2.875 1.00 22.14 C ATOM 2068 CD1 PHE A 131 7.738 -13.510 -1.853 1.00 4.34 C ATOM 2069 CD2 PHE A 131 6.771 -11.912 -3.348 1.00 43.13 C ATOM 2070 CE1 PHE A 131 6.489 -13.761 -1.320 1.00 72.31 C ATOM 2071 CE2 PHE A 131 5.524 -12.169 -2.811 1.00 73.43 C ATOM 2072 CZ PHE A 131 5.383 -13.093 -1.798 1.00 71.33 C ATOM 0 H PHE A 131 11.153 -12.007 -1.060 1.00 23.14 H new ATOM 0 HA PHE A 131 11.189 -11.363 -3.172 1.00 14.42 H new ATOM 0 HB2 PHE A 131 9.176 -12.014 -4.509 1.00 13.33 H new ATOM 0 HB3 PHE A 131 9.856 -13.250 -3.469 1.00 13.33 H new ATOM 0 HD1 PHE A 131 8.596 -14.044 -1.471 1.00 4.34 H new ATOM 0 HD2 PHE A 131 6.870 -11.187 -4.143 1.00 43.13 H new ATOM 0 HE1 PHE A 131 6.379 -14.484 -0.525 1.00 72.31 H new ATOM 0 HE2 PHE A 131 4.658 -11.644 -3.186 1.00 73.43 H new ATOM 0 HZ PHE A 131 4.408 -13.293 -1.380 1.00 71.33 H new ATOM 2082 N GLY A 132 10.675 -8.842 -2.742 1.00 23.03 N ATOM 2083 CA GLY A 132 10.515 -7.429 -3.070 1.00 62.40 C ATOM 2084 C GLY A 132 11.203 -7.089 -4.385 1.00 61.14 C ATOM 2085 O GLY A 132 11.285 -7.927 -5.285 1.00 42.33 O ATOM 0 H GLY A 132 11.520 -9.049 -2.209 1.00 23.03 H new ATOM 0 HA2 GLY A 132 9.455 -7.186 -3.138 1.00 62.40 H new ATOM 0 HA3 GLY A 132 10.932 -6.817 -2.270 1.00 62.40 H new ATOM 2089 N ARG A 133 11.720 -5.863 -4.488 1.00 23.11 N ATOM 2090 CA ARG A 133 12.399 -5.358 -5.706 1.00 4.40 C ATOM 2091 C ARG A 133 13.873 -5.043 -5.395 1.00 61.11 C ATOM 2092 O ARG A 133 14.358 -5.335 -4.301 1.00 44.04 O ATOM 2093 CB ARG A 133 11.639 -4.121 -6.305 1.00 53.55 C ATOM 2094 CG ARG A 133 11.155 -3.053 -5.276 1.00 2.25 C ATOM 2095 CD ARG A 133 9.771 -3.372 -4.658 1.00 53.23 C ATOM 2096 NE ARG A 133 9.379 -2.418 -3.594 1.00 42.41 N ATOM 2097 CZ ARG A 133 8.249 -1.688 -3.578 1.00 44.44 C ATOM 2098 NH1 ARG A 133 7.365 -1.750 -4.570 1.00 63.42 N ATOM 2099 NH2 ARG A 133 7.993 -0.913 -2.544 1.00 13.43 N ATOM 0 H ARG A 133 11.685 -5.181 -3.730 1.00 23.11 H new ATOM 0 HA ARG A 133 12.380 -6.134 -6.471 1.00 4.40 H new ATOM 0 HB2 ARG A 133 12.294 -3.632 -7.026 1.00 53.55 H new ATOM 0 HB3 ARG A 133 10.772 -4.484 -6.857 1.00 53.55 H new ATOM 0 HG2 ARG A 133 11.891 -2.971 -4.476 1.00 2.25 H new ATOM 0 HG3 ARG A 133 11.109 -2.081 -5.768 1.00 2.25 H new ATOM 0 HD2 ARG A 133 9.017 -3.361 -5.445 1.00 53.23 H new ATOM 0 HD3 ARG A 133 9.787 -4.381 -4.246 1.00 53.23 H new ATOM 0 HE ARG A 133 10.019 -2.305 -2.808 1.00 42.41 H new ATOM 0 HH11 ARG A 133 7.536 -2.362 -5.368 1.00 63.42 H new ATOM 0 HH12 ARG A 133 6.516 -1.186 -4.533 1.00 63.42 H new ATOM 0 HH21 ARG A 133 8.649 -0.870 -1.764 1.00 13.43 H new ATOM 0 HH22 ARG A 133 7.139 -0.356 -2.523 1.00 13.43 H new ATOM 2113 N ASP A 134 14.576 -4.488 -6.400 1.00 31.15 N ATOM 2114 CA ASP A 134 16.009 -4.130 -6.304 1.00 73.20 C ATOM 2115 C ASP A 134 16.210 -3.007 -5.260 1.00 53.20 C ATOM 2116 O ASP A 134 15.338 -2.143 -5.161 1.00 71.42 O ATOM 2117 CB ASP A 134 16.522 -3.671 -7.702 1.00 72.33 C ATOM 2118 CG ASP A 134 18.056 -3.506 -7.781 1.00 43.22 C ATOM 2119 OD1 ASP A 134 18.578 -2.455 -7.364 1.00 75.55 O ATOM 2120 OD2 ASP A 134 18.748 -4.432 -8.249 1.00 62.11 O ATOM 0 H ASP A 134 14.165 -4.273 -7.309 1.00 31.15 H new ATOM 0 HA ASP A 134 16.579 -5.002 -5.983 1.00 73.20 H new ATOM 0 HB2 ASP A 134 16.205 -4.397 -8.451 1.00 72.33 H new ATOM 0 HB3 ASP A 134 16.050 -2.722 -7.958 1.00 72.33 H new ATOM 2125 N PRO A 135 17.336 -3.022 -4.460 1.00 13.20 N ATOM 2126 CA PRO A 135 17.723 -1.942 -3.494 1.00 64.30 C ATOM 2127 C PRO A 135 17.459 -0.486 -3.961 1.00 15.23 C ATOM 2128 O PRO A 135 17.192 0.388 -3.126 1.00 75.23 O ATOM 2129 CB PRO A 135 19.252 -2.196 -3.274 1.00 30.04 C ATOM 2130 CG PRO A 135 19.606 -3.382 -4.142 1.00 34.01 C ATOM 2131 CD PRO A 135 18.316 -4.134 -4.352 1.00 3.11 C ATOM 0 HA PRO A 135 17.110 -2.005 -2.595 1.00 64.30 H new ATOM 0 HB2 PRO A 135 19.837 -1.320 -3.553 1.00 30.04 H new ATOM 0 HB3 PRO A 135 19.466 -2.402 -2.225 1.00 30.04 H new ATOM 0 HG2 PRO A 135 20.030 -3.059 -5.093 1.00 34.01 H new ATOM 0 HG3 PRO A 135 20.352 -4.012 -3.658 1.00 34.01 H new ATOM 0 HD2 PRO A 135 18.341 -4.747 -5.253 1.00 3.11 H new ATOM 0 HD3 PRO A 135 18.090 -4.800 -3.519 1.00 3.11 H new ATOM 2139 N LYS A 136 17.530 -0.227 -5.286 1.00 50.12 N ATOM 2140 CA LYS A 136 17.321 1.128 -5.841 1.00 51.40 C ATOM 2141 C LYS A 136 15.819 1.518 -5.833 1.00 71.22 C ATOM 2142 O LYS A 136 15.486 2.686 -5.608 1.00 14.13 O ATOM 2143 CB LYS A 136 17.922 1.236 -7.272 1.00 51.12 C ATOM 2144 CG LYS A 136 17.227 0.383 -8.347 1.00 0.13 C ATOM 2145 CD LYS A 136 17.919 0.430 -9.730 1.00 14.21 C ATOM 2146 CE LYS A 136 19.323 -0.191 -9.725 1.00 2.34 C ATOM 2147 NZ LYS A 136 19.937 -0.206 -11.081 1.00 2.54 N ATOM 0 H LYS A 136 17.730 -0.938 -5.989 1.00 50.12 H new ATOM 0 HA LYS A 136 17.845 1.836 -5.199 1.00 51.40 H new ATOM 0 HB2 LYS A 136 17.889 2.280 -7.584 1.00 51.12 H new ATOM 0 HB3 LYS A 136 18.973 0.950 -7.229 1.00 51.12 H new ATOM 0 HG2 LYS A 136 17.188 -0.652 -8.006 1.00 0.13 H new ATOM 0 HG3 LYS A 136 16.197 0.722 -8.456 1.00 0.13 H new ATOM 0 HD2 LYS A 136 17.299 -0.095 -10.457 1.00 14.21 H new ATOM 0 HD3 LYS A 136 17.988 1.467 -10.059 1.00 14.21 H new ATOM 0 HE2 LYS A 136 19.964 0.370 -9.044 1.00 2.34 H new ATOM 0 HE3 LYS A 136 19.266 -1.210 -9.343 1.00 2.34 H new ATOM 0 HZ1 LYS A 136 20.883 -0.634 -11.029 1.00 2.54 H new ATOM 0 HZ2 LYS A 136 19.341 -0.763 -11.726 1.00 2.54 H new ATOM 0 HZ3 LYS A 136 20.017 0.768 -11.437 1.00 2.54 H new ATOM 2161 N TYR A 137 14.927 0.535 -6.079 1.00 34.42 N ATOM 2162 CA TYR A 137 13.452 0.747 -6.053 1.00 13.15 C ATOM 2163 C TYR A 137 12.914 0.617 -4.622 1.00 41.42 C ATOM 2164 O TYR A 137 11.867 1.193 -4.287 1.00 50.32 O ATOM 2165 CB TYR A 137 12.719 -0.266 -6.974 1.00 13.13 C ATOM 2166 CG TYR A 137 13.169 -0.218 -8.430 1.00 41.24 C ATOM 2167 CD1 TYR A 137 12.674 0.748 -9.306 1.00 3.34 C ATOM 2168 CD2 TYR A 137 14.113 -1.118 -8.921 1.00 31.02 C ATOM 2169 CE1 TYR A 137 13.101 0.805 -10.616 1.00 70.33 C ATOM 2170 CE2 TYR A 137 14.546 -1.060 -10.227 1.00 64.10 C ATOM 2171 CZ TYR A 137 14.039 -0.098 -11.070 1.00 20.43 C ATOM 2172 OH TYR A 137 14.479 -0.035 -12.374 1.00 22.20 O ATOM 0 H TYR A 137 15.199 -0.423 -6.300 1.00 34.42 H new ATOM 0 HA TYR A 137 13.261 1.755 -6.422 1.00 13.15 H new ATOM 0 HB2 TYR A 137 12.878 -1.273 -6.588 1.00 13.13 H new ATOM 0 HB3 TYR A 137 11.647 -0.073 -6.929 1.00 13.13 H new ATOM 0 HD1 TYR A 137 11.945 1.462 -8.953 1.00 3.34 H new ATOM 0 HD2 TYR A 137 14.513 -1.876 -8.264 1.00 31.02 H new ATOM 0 HE1 TYR A 137 12.702 1.554 -11.284 1.00 70.33 H new ATOM 0 HE2 TYR A 137 15.280 -1.766 -10.588 1.00 64.10 H new ATOM 0 HH TYR A 137 15.140 -0.742 -12.531 1.00 22.20 H new ATOM 2182 N LEU A 138 13.633 -0.173 -3.798 1.00 14.43 N ATOM 2183 CA LEU A 138 13.353 -0.323 -2.370 1.00 2.42 C ATOM 2184 C LEU A 138 13.504 1.041 -1.681 1.00 5.41 C ATOM 2185 O LEU A 138 14.617 1.526 -1.489 1.00 63.31 O ATOM 2186 CB LEU A 138 14.311 -1.369 -1.728 1.00 74.41 C ATOM 2187 CG LEU A 138 14.097 -2.860 -2.124 1.00 53.14 C ATOM 2188 CD1 LEU A 138 15.133 -3.775 -1.425 1.00 63.02 C ATOM 2189 CD2 LEU A 138 12.649 -3.320 -1.839 1.00 73.22 C ATOM 0 H LEU A 138 14.429 -0.726 -4.116 1.00 14.43 H new ATOM 0 HA LEU A 138 12.332 -0.683 -2.240 1.00 2.42 H new ATOM 0 HB2 LEU A 138 15.334 -1.094 -1.985 1.00 74.41 H new ATOM 0 HB3 LEU A 138 14.222 -1.290 -0.645 1.00 74.41 H new ATOM 0 HG LEU A 138 14.255 -2.943 -3.199 1.00 53.14 H new ATOM 0 HD11 LEU A 138 14.961 -4.810 -1.719 1.00 63.02 H new ATOM 0 HD12 LEU A 138 16.139 -3.477 -1.719 1.00 63.02 H new ATOM 0 HD13 LEU A 138 15.029 -3.683 -0.344 1.00 63.02 H new ATOM 0 HD21 LEU A 138 12.536 -4.365 -2.127 1.00 73.22 H new ATOM 0 HD22 LEU A 138 12.436 -3.212 -0.776 1.00 73.22 H new ATOM 0 HD23 LEU A 138 11.953 -2.708 -2.413 1.00 73.22 H new ATOM 2201 N HIS A 139 12.370 1.683 -1.394 1.00 44.41 N ATOM 2202 CA HIS A 139 12.327 2.993 -0.720 1.00 53.41 C ATOM 2203 C HIS A 139 11.529 2.853 0.575 1.00 13.03 C ATOM 2204 O HIS A 139 10.373 2.423 0.534 1.00 52.12 O ATOM 2205 CB HIS A 139 11.671 4.062 -1.647 1.00 23.12 C ATOM 2206 CG HIS A 139 12.405 4.306 -2.943 1.00 31.22 C ATOM 2207 ND1 HIS A 139 11.782 4.327 -4.173 1.00 0.22 N ATOM 2208 CD2 HIS A 139 13.715 4.556 -3.192 1.00 35.42 C ATOM 2209 CE1 HIS A 139 12.671 4.577 -5.113 1.00 65.54 C ATOM 2210 NE2 HIS A 139 13.851 4.718 -4.545 1.00 43.43 N ATOM 0 H HIS A 139 11.448 1.311 -1.622 1.00 44.41 H new ATOM 0 HA HIS A 139 13.342 3.321 -0.494 1.00 53.41 H new ATOM 0 HB2 HIS A 139 10.652 3.750 -1.875 1.00 23.12 H new ATOM 0 HB3 HIS A 139 11.601 5.003 -1.102 1.00 23.12 H new ATOM 0 HD1 HIS A 139 10.786 4.173 -4.331 1.00 0.22 H new ATOM 0 HD2 HIS A 139 14.505 4.616 -2.458 1.00 35.42 H new ATOM 0 HE1 HIS A 139 12.467 4.653 -6.171 1.00 65.54 H new ATOM 2219 N GLN A 140 12.153 3.194 1.721 1.00 3.30 N ATOM 2220 CA GLN A 140 11.457 3.223 3.030 1.00 12.24 C ATOM 2221 C GLN A 140 10.355 4.293 2.986 1.00 11.52 C ATOM 2222 O GLN A 140 10.476 5.270 2.234 1.00 25.41 O ATOM 2223 CB GLN A 140 12.443 3.549 4.191 1.00 24.45 C ATOM 2224 CG GLN A 140 13.738 2.718 4.192 1.00 1.42 C ATOM 2225 CD GLN A 140 14.732 3.109 5.291 1.00 34.11 C ATOM 2226 OE1 GLN A 140 14.778 4.253 5.732 1.00 4.34 O ATOM 2227 NE2 GLN A 140 15.556 2.172 5.721 1.00 13.14 N ATOM 0 H GLN A 140 13.138 3.454 1.769 1.00 3.30 H new ATOM 0 HA GLN A 140 11.029 2.238 3.215 1.00 12.24 H new ATOM 0 HB2 GLN A 140 12.706 4.605 4.139 1.00 24.45 H new ATOM 0 HB3 GLN A 140 11.929 3.395 5.140 1.00 24.45 H new ATOM 0 HG2 GLN A 140 13.481 1.665 4.307 1.00 1.42 H new ATOM 0 HG3 GLN A 140 14.225 2.823 3.223 1.00 1.42 H new ATOM 0 HE21 GLN A 140 15.499 1.228 5.339 1.00 13.14 H new ATOM 0 HE22 GLN A 140 16.250 2.392 6.435 1.00 13.14 H new ATOM 2236 N PHE A 141 9.286 4.096 3.768 1.00 34.24 N ATOM 2237 CA PHE A 141 8.234 5.111 3.940 1.00 75.13 C ATOM 2238 C PHE A 141 8.827 6.340 4.641 1.00 50.10 C ATOM 2239 O PHE A 141 8.875 6.420 5.875 1.00 1.44 O ATOM 2240 CB PHE A 141 7.040 4.558 4.754 1.00 35.24 C ATOM 2241 CG PHE A 141 6.443 3.290 4.169 1.00 14.25 C ATOM 2242 CD1 PHE A 141 5.645 3.341 3.028 1.00 23.24 C ATOM 2243 CD2 PHE A 141 6.688 2.045 4.753 1.00 20.03 C ATOM 2244 CE1 PHE A 141 5.113 2.191 2.492 1.00 34.31 C ATOM 2245 CE2 PHE A 141 6.153 0.902 4.218 1.00 44.00 C ATOM 2246 CZ PHE A 141 5.368 0.974 3.087 1.00 0.42 C ATOM 0 H PHE A 141 9.125 3.238 4.295 1.00 34.24 H new ATOM 0 HA PHE A 141 7.859 5.391 2.955 1.00 75.13 H new ATOM 0 HB2 PHE A 141 7.367 4.359 5.774 1.00 35.24 H new ATOM 0 HB3 PHE A 141 6.265 5.322 4.812 1.00 35.24 H new ATOM 0 HD1 PHE A 141 5.442 4.293 2.560 1.00 23.24 H new ATOM 0 HD2 PHE A 141 7.306 1.982 5.636 1.00 20.03 H new ATOM 0 HE1 PHE A 141 4.497 2.242 1.607 1.00 34.31 H new ATOM 0 HE2 PHE A 141 6.346 -0.054 4.682 1.00 44.00 H new ATOM 0 HZ PHE A 141 4.950 0.072 2.665 1.00 0.42 H new ATOM 2256 N GLU A 142 9.346 7.252 3.824 1.00 65.01 N ATOM 2257 CA GLU A 142 9.921 8.514 4.270 1.00 22.23 C ATOM 2258 C GLU A 142 8.931 9.631 3.930 1.00 54.21 C ATOM 2259 O GLU A 142 8.398 9.686 2.814 1.00 63.44 O ATOM 2260 CB GLU A 142 11.304 8.741 3.605 1.00 73.34 C ATOM 2261 CG GLU A 142 11.326 8.639 2.044 1.00 15.15 C ATOM 2262 CD GLU A 142 12.049 9.788 1.318 1.00 30.42 C ATOM 2263 OE1 GLU A 142 12.536 10.735 1.979 1.00 13.43 O ATOM 2264 OE2 GLU A 142 12.102 9.763 0.072 1.00 73.10 O ATOM 0 H GLU A 142 9.378 7.130 2.812 1.00 65.01 H new ATOM 0 HA GLU A 142 10.090 8.503 5.347 1.00 22.23 H new ATOM 0 HB2 GLU A 142 11.668 9.727 3.892 1.00 73.34 H new ATOM 0 HB3 GLU A 142 12.006 8.012 4.009 1.00 73.34 H new ATOM 0 HG2 GLU A 142 11.802 7.699 1.765 1.00 15.15 H new ATOM 0 HG3 GLU A 142 10.298 8.595 1.685 1.00 15.15 H new ATOM 2271 N GLY A 143 8.665 10.484 4.908 1.00 23.13 N ATOM 2272 CA GLY A 143 7.633 11.506 4.801 1.00 21.11 C ATOM 2273 C GLY A 143 6.972 11.698 6.151 1.00 3.44 C ATOM 2274 O GLY A 143 7.681 11.865 7.149 1.00 42.31 O ATOM 0 H GLY A 143 9.159 10.487 5.800 1.00 23.13 H new ATOM 0 HA2 GLY A 143 8.070 12.445 4.461 1.00 21.11 H new ATOM 0 HA3 GLY A 143 6.891 11.212 4.059 1.00 21.11 H new ATOM 2278 N GLU A 144 5.627 11.643 6.207 1.00 35.31 N ATOM 2279 CA GLU A 144 4.870 11.859 7.462 1.00 5.44 C ATOM 2280 C GLU A 144 3.694 10.860 7.576 1.00 73.14 C ATOM 2281 O GLU A 144 3.786 9.869 8.312 1.00 63.42 O ATOM 2282 CB GLU A 144 4.370 13.333 7.551 1.00 2.42 C ATOM 2283 CG GLU A 144 5.488 14.396 7.665 1.00 30.10 C ATOM 2284 CD GLU A 144 4.959 15.836 7.701 1.00 54.44 C ATOM 2285 OE1 GLU A 144 4.489 16.285 8.769 1.00 72.41 O ATOM 2286 OE2 GLU A 144 5.001 16.528 6.656 1.00 42.45 O ATOM 0 H GLU A 144 5.038 11.450 5.397 1.00 35.31 H new ATOM 0 HA GLU A 144 5.539 11.678 8.303 1.00 5.44 H new ATOM 0 HB2 GLU A 144 3.770 13.551 6.667 1.00 2.42 H new ATOM 0 HB3 GLU A 144 3.711 13.426 8.414 1.00 2.42 H new ATOM 0 HG2 GLU A 144 6.068 14.207 8.569 1.00 30.10 H new ATOM 0 HG3 GLU A 144 6.169 14.288 6.821 1.00 30.10 H new ATOM 2293 N THR A 145 2.604 11.116 6.830 1.00 34.32 N ATOM 2294 CA THR A 145 1.340 10.372 6.978 1.00 55.44 C ATOM 2295 C THR A 145 1.336 9.088 6.117 1.00 40.12 C ATOM 2296 O THR A 145 1.770 9.106 4.965 1.00 5.22 O ATOM 2297 CB THR A 145 0.124 11.275 6.590 1.00 23.14 C ATOM 2298 OG1 THR A 145 0.256 12.569 7.203 1.00 50.01 O ATOM 2299 CG2 THR A 145 -1.225 10.659 7.018 1.00 70.40 C ATOM 0 H THR A 145 2.574 11.840 6.112 1.00 34.32 H new ATOM 0 HA THR A 145 1.251 10.081 8.025 1.00 55.44 H new ATOM 0 HB THR A 145 0.129 11.363 5.504 1.00 23.14 H new ATOM 0 HG1 THR A 145 -0.055 13.259 6.580 1.00 50.01 H new ATOM 0 HG21 THR A 145 -2.038 11.324 6.726 1.00 70.40 H new ATOM 0 HG22 THR A 145 -1.354 9.692 6.531 1.00 70.40 H new ATOM 0 HG23 THR A 145 -1.237 10.525 8.100 1.00 70.40 H new ATOM 2307 N PHE A 146 0.830 7.988 6.700 1.00 1.44 N ATOM 2308 CA PHE A 146 0.613 6.705 6.001 1.00 33.33 C ATOM 2309 C PHE A 146 -0.788 6.694 5.371 1.00 70.51 C ATOM 2310 O PHE A 146 -1.750 7.131 6.006 1.00 23.40 O ATOM 2311 CB PHE A 146 0.741 5.507 6.991 1.00 71.33 C ATOM 2312 CG PHE A 146 2.170 5.075 7.289 1.00 60.12 C ATOM 2313 CD1 PHE A 146 2.946 5.728 8.249 1.00 35.51 C ATOM 2314 CD2 PHE A 146 2.740 4.004 6.598 1.00 44.14 C ATOM 2315 CE1 PHE A 146 4.244 5.319 8.506 1.00 1.50 C ATOM 2316 CE2 PHE A 146 4.028 3.599 6.856 1.00 24.11 C ATOM 2317 CZ PHE A 146 4.783 4.252 7.806 1.00 55.25 C ATOM 0 H PHE A 146 0.556 7.962 7.682 1.00 1.44 H new ATOM 0 HA PHE A 146 1.372 6.601 5.225 1.00 33.33 H new ATOM 0 HB2 PHE A 146 0.254 5.775 7.929 1.00 71.33 H new ATOM 0 HB3 PHE A 146 0.197 4.656 6.582 1.00 71.33 H new ATOM 0 HD1 PHE A 146 2.530 6.561 8.797 1.00 35.51 H new ATOM 0 HD2 PHE A 146 2.160 3.486 5.849 1.00 44.14 H new ATOM 0 HE1 PHE A 146 4.835 5.831 9.251 1.00 1.50 H new ATOM 0 HE2 PHE A 146 4.450 2.766 6.312 1.00 24.11 H new ATOM 0 HZ PHE A 146 5.795 3.932 8.005 1.00 55.25 H new ATOM 2327 N TYR A 147 -0.881 6.215 4.120 1.00 65.41 N ATOM 2328 CA TYR A 147 -2.155 6.009 3.407 1.00 63.32 C ATOM 2329 C TYR A 147 -2.249 4.548 2.947 1.00 61.04 C ATOM 2330 O TYR A 147 -1.418 4.084 2.162 1.00 3.14 O ATOM 2331 CB TYR A 147 -2.287 6.975 2.189 1.00 12.31 C ATOM 2332 CG TYR A 147 -2.615 8.427 2.556 1.00 55.43 C ATOM 2333 CD1 TYR A 147 -1.685 9.244 3.191 1.00 63.25 C ATOM 2334 CD2 TYR A 147 -3.860 8.985 2.262 1.00 65.30 C ATOM 2335 CE1 TYR A 147 -1.984 10.543 3.523 1.00 52.44 C ATOM 2336 CE2 TYR A 147 -4.156 10.292 2.592 1.00 23.01 C ATOM 2337 CZ TYR A 147 -3.213 11.067 3.218 1.00 72.30 C ATOM 2338 OH TYR A 147 -3.501 12.373 3.551 1.00 31.45 O ATOM 0 H TYR A 147 -0.064 5.956 3.567 1.00 65.41 H new ATOM 0 HA TYR A 147 -2.976 6.230 4.089 1.00 63.32 H new ATOM 0 HB2 TYR A 147 -1.353 6.959 1.627 1.00 12.31 H new ATOM 0 HB3 TYR A 147 -3.065 6.597 1.526 1.00 12.31 H new ATOM 0 HD1 TYR A 147 -0.708 8.849 3.428 1.00 63.25 H new ATOM 0 HD2 TYR A 147 -4.607 8.382 1.766 1.00 65.30 H new ATOM 0 HE1 TYR A 147 -1.248 11.153 4.026 1.00 52.44 H new ATOM 0 HE2 TYR A 147 -5.127 10.703 2.358 1.00 23.01 H new ATOM 0 HH TYR A 147 -2.687 12.816 3.870 1.00 31.45 H new ATOM 2348 N ILE A 148 -3.253 3.823 3.463 1.00 25.31 N ATOM 2349 CA ILE A 148 -3.525 2.429 3.088 1.00 73.42 C ATOM 2350 C ILE A 148 -4.794 2.383 2.219 1.00 20.42 C ATOM 2351 O ILE A 148 -5.874 2.786 2.661 1.00 34.11 O ATOM 2352 CB ILE A 148 -3.681 1.507 4.350 1.00 54.54 C ATOM 2353 CG1 ILE A 148 -2.376 1.533 5.213 1.00 44.30 C ATOM 2354 CG2 ILE A 148 -4.047 0.066 3.928 1.00 64.45 C ATOM 2355 CD1 ILE A 148 -2.385 0.621 6.432 1.00 74.03 C ATOM 0 H ILE A 148 -3.903 4.191 4.157 1.00 25.31 H new ATOM 0 HA ILE A 148 -2.676 2.048 2.520 1.00 73.42 H new ATOM 0 HB ILE A 148 -4.495 1.891 4.964 1.00 54.54 H new ATOM 0 HG12 ILE A 148 -1.534 1.256 4.578 1.00 44.30 H new ATOM 0 HG13 ILE A 148 -2.200 2.556 5.546 1.00 44.30 H new ATOM 0 HG21 ILE A 148 -4.151 -0.558 4.816 1.00 64.45 H new ATOM 0 HG22 ILE A 148 -4.989 0.076 3.379 1.00 64.45 H new ATOM 0 HG23 ILE A 148 -3.260 -0.338 3.291 1.00 64.45 H new ATOM 0 HD11 ILE A 148 -1.437 0.712 6.962 1.00 74.03 H new ATOM 0 HD12 ILE A 148 -3.201 0.909 7.096 1.00 74.03 H new ATOM 0 HD13 ILE A 148 -2.524 -0.412 6.113 1.00 74.03 H new ATOM 2367 N ILE A 149 -4.640 1.898 0.981 1.00 44.24 N ATOM 2368 CA ILE A 149 -5.697 1.912 -0.041 1.00 63.03 C ATOM 2369 C ILE A 149 -6.280 0.494 -0.211 1.00 70.22 C ATOM 2370 O ILE A 149 -5.625 -0.378 -0.791 1.00 45.32 O ATOM 2371 CB ILE A 149 -5.123 2.439 -1.416 1.00 34.54 C ATOM 2372 CG1 ILE A 149 -4.387 3.809 -1.231 1.00 24.01 C ATOM 2373 CG2 ILE A 149 -6.228 2.536 -2.494 1.00 24.43 C ATOM 2374 CD1 ILE A 149 -5.206 4.904 -0.561 1.00 14.14 C ATOM 0 H ILE A 149 -3.768 1.480 0.656 1.00 44.24 H new ATOM 0 HA ILE A 149 -6.492 2.584 0.281 1.00 63.03 H new ATOM 0 HB ILE A 149 -4.391 1.711 -1.767 1.00 34.54 H new ATOM 0 HG12 ILE A 149 -3.485 3.641 -0.642 1.00 24.01 H new ATOM 0 HG13 ILE A 149 -4.067 4.165 -2.210 1.00 24.01 H new ATOM 0 HG21 ILE A 149 -5.796 2.902 -3.426 1.00 24.43 H new ATOM 0 HG22 ILE A 149 -6.664 1.550 -2.658 1.00 24.43 H new ATOM 0 HG23 ILE A 149 -7.004 3.224 -2.159 1.00 24.43 H new ATOM 0 HD11 ILE A 149 -4.605 5.810 -0.481 1.00 14.14 H new ATOM 0 HD12 ILE A 149 -6.095 5.110 -1.157 1.00 14.14 H new ATOM 0 HD13 ILE A 149 -5.504 4.577 0.435 1.00 14.14 H new ATOM 2386 N GLU A 150 -7.501 0.277 0.318 1.00 42.20 N ATOM 2387 CA GLU A 150 -8.212 -1.009 0.196 1.00 45.41 C ATOM 2388 C GLU A 150 -8.718 -1.213 -1.243 1.00 61.00 C ATOM 2389 O GLU A 150 -9.298 -0.300 -1.838 1.00 64.44 O ATOM 2390 CB GLU A 150 -9.407 -1.099 1.194 1.00 4.33 C ATOM 2391 CG GLU A 150 -10.268 -2.375 1.021 1.00 74.11 C ATOM 2392 CD GLU A 150 -11.283 -2.616 2.144 1.00 50.20 C ATOM 2393 OE1 GLU A 150 -10.905 -3.224 3.160 1.00 63.42 O ATOM 2394 OE2 GLU A 150 -12.470 -2.250 1.994 1.00 63.32 O ATOM 0 H GLU A 150 -8.019 0.985 0.839 1.00 42.20 H new ATOM 0 HA GLU A 150 -7.502 -1.799 0.442 1.00 45.41 H new ATOM 0 HB2 GLU A 150 -9.021 -1.067 2.213 1.00 4.33 H new ATOM 0 HB3 GLU A 150 -10.042 -0.223 1.066 1.00 4.33 H new ATOM 0 HG2 GLU A 150 -10.803 -2.311 0.073 1.00 74.11 H new ATOM 0 HG3 GLU A 150 -9.606 -3.238 0.956 1.00 74.11 H new ATOM 2401 N GLN A 151 -8.478 -2.425 -1.782 1.00 62.14 N ATOM 2402 CA GLN A 151 -8.952 -2.857 -3.107 1.00 0.42 C ATOM 2403 C GLN A 151 -9.555 -4.259 -3.000 1.00 65.44 C ATOM 2404 O GLN A 151 -8.838 -5.260 -2.911 1.00 4.23 O ATOM 2405 CB GLN A 151 -7.803 -2.823 -4.161 1.00 41.21 C ATOM 2406 CG GLN A 151 -7.327 -1.395 -4.488 1.00 42.30 C ATOM 2407 CD GLN A 151 -8.461 -0.498 -5.018 1.00 31.35 C ATOM 2408 OE1 GLN A 151 -8.521 0.735 -4.541 1.00 21.42 O flip ATOM 2409 NE2 GLN A 151 -9.326 -0.935 -5.788 1.00 53.21 N flip ATOM 0 H GLN A 151 -7.939 -3.143 -1.297 1.00 62.14 H new ATOM 0 HA GLN A 151 -9.720 -2.162 -3.447 1.00 0.42 H new ATOM 0 HB2 GLN A 151 -6.960 -3.405 -3.789 1.00 41.21 H new ATOM 0 HB3 GLN A 151 -8.144 -3.305 -5.077 1.00 41.21 H new ATOM 0 HG2 GLN A 151 -6.901 -0.944 -3.592 1.00 42.30 H new ATOM 0 HG3 GLN A 151 -6.530 -1.443 -5.230 1.00 42.30 H new ATOM 0 HE21 GLN A 151 -9.258 -1.889 -6.143 1.00 53.21 H new ATOM 0 HE22 GLN A 151 -10.107 -0.341 -6.068 1.00 53.21 H new ATOM 2418 N ARG A 152 -10.891 -4.295 -2.973 1.00 0.12 N ATOM 2419 CA ARG A 152 -11.678 -5.531 -3.008 1.00 54.40 C ATOM 2420 C ARG A 152 -11.702 -6.072 -4.453 1.00 30.45 C ATOM 2421 O ARG A 152 -11.615 -5.286 -5.414 1.00 14.33 O ATOM 2422 CB ARG A 152 -13.115 -5.229 -2.494 1.00 60.14 C ATOM 2423 CG ARG A 152 -13.187 -4.720 -1.029 1.00 64.10 C ATOM 2424 CD ARG A 152 -12.953 -5.824 0.007 1.00 75.44 C ATOM 2425 NE ARG A 152 -12.921 -5.292 1.381 1.00 60.50 N ATOM 2426 CZ ARG A 152 -12.712 -6.010 2.498 1.00 12.15 C ATOM 2427 NH1 ARG A 152 -12.514 -7.325 2.449 1.00 21.34 N ATOM 2428 NH2 ARG A 152 -12.662 -5.397 3.672 1.00 64.31 N ATOM 0 H ARG A 152 -11.465 -3.453 -2.925 1.00 0.12 H new ATOM 0 HA ARG A 152 -11.233 -6.290 -2.365 1.00 54.40 H new ATOM 0 HB2 ARG A 152 -13.570 -4.483 -3.146 1.00 60.14 H new ATOM 0 HB3 ARG A 152 -13.715 -6.135 -2.579 1.00 60.14 H new ATOM 0 HG2 ARG A 152 -12.444 -3.935 -0.887 1.00 64.10 H new ATOM 0 HG3 ARG A 152 -14.164 -4.269 -0.856 1.00 64.10 H new ATOM 0 HD2 ARG A 152 -13.742 -6.571 -0.074 1.00 75.44 H new ATOM 0 HD3 ARG A 152 -12.012 -6.330 -0.208 1.00 75.44 H new ATOM 0 HE ARG A 152 -13.071 -4.289 1.495 1.00 60.50 H new ATOM 0 HH11 ARG A 152 -12.519 -7.808 1.551 1.00 21.34 H new ATOM 0 HH12 ARG A 152 -12.357 -7.850 3.310 1.00 21.34 H new ATOM 0 HH21 ARG A 152 -12.782 -4.385 3.725 1.00 64.31 H new ATOM 0 HH22 ARG A 152 -12.504 -5.937 4.523 1.00 64.31 H new ATOM 2442 N LEU A 153 -11.811 -7.405 -4.604 1.00 32.51 N ATOM 2443 CA LEU A 153 -11.813 -8.062 -5.931 1.00 73.23 C ATOM 2444 C LEU A 153 -13.100 -7.786 -6.731 1.00 30.23 C ATOM 2445 O LEU A 153 -14.039 -7.141 -6.240 1.00 14.14 O ATOM 2446 CB LEU A 153 -11.570 -9.593 -5.793 1.00 74.44 C ATOM 2447 CG LEU A 153 -10.105 -10.017 -5.482 1.00 41.43 C ATOM 2448 CD1 LEU A 153 -9.988 -11.544 -5.365 1.00 73.04 C ATOM 2449 CD2 LEU A 153 -9.118 -9.466 -6.541 1.00 21.30 C ATOM 0 H LEU A 153 -11.899 -8.053 -3.822 1.00 32.51 H new ATOM 0 HA LEU A 153 -10.990 -7.624 -6.496 1.00 73.23 H new ATOM 0 HB2 LEU A 153 -12.215 -9.975 -5.002 1.00 74.44 H new ATOM 0 HB3 LEU A 153 -11.880 -10.077 -6.719 1.00 74.44 H new ATOM 0 HG LEU A 153 -9.834 -9.581 -4.521 1.00 41.43 H new ATOM 0 HD11 LEU A 153 -8.955 -11.814 -5.147 1.00 73.04 H new ATOM 0 HD12 LEU A 153 -10.633 -11.898 -4.560 1.00 73.04 H new ATOM 0 HD13 LEU A 153 -10.294 -12.005 -6.304 1.00 73.04 H new ATOM 0 HD21 LEU A 153 -8.105 -9.781 -6.293 1.00 21.30 H new ATOM 0 HD22 LEU A 153 -9.387 -9.851 -7.524 1.00 21.30 H new ATOM 0 HD23 LEU A 153 -9.167 -8.377 -6.552 1.00 21.30 H new ATOM 2461 N GLU A 154 -13.113 -8.332 -7.966 1.00 22.44 N ATOM 2462 CA GLU A 154 -14.156 -8.095 -8.982 1.00 42.51 C ATOM 2463 C GLU A 154 -15.552 -8.491 -8.469 1.00 25.03 C ATOM 2464 O GLU A 154 -16.560 -7.848 -8.796 1.00 63.43 O ATOM 2465 CB GLU A 154 -13.820 -8.876 -10.287 1.00 12.44 C ATOM 2466 CG GLU A 154 -12.347 -8.805 -10.757 1.00 0.12 C ATOM 2467 CD GLU A 154 -11.761 -7.385 -10.754 1.00 55.10 C ATOM 2468 OE1 GLU A 154 -12.120 -6.576 -11.640 1.00 62.51 O ATOM 2469 OE2 GLU A 154 -10.943 -7.074 -9.860 1.00 24.32 O ATOM 0 H GLU A 154 -12.381 -8.964 -8.290 1.00 22.44 H new ATOM 0 HA GLU A 154 -14.174 -7.026 -9.196 1.00 42.51 H new ATOM 0 HB2 GLU A 154 -14.084 -9.923 -10.139 1.00 12.44 H new ATOM 0 HB3 GLU A 154 -14.455 -8.497 -11.088 1.00 12.44 H new ATOM 0 HG2 GLU A 154 -11.739 -9.440 -10.112 1.00 0.12 H new ATOM 0 HG3 GLU A 154 -12.277 -9.214 -11.765 1.00 0.12 H new ATOM 2476 N HIS A 155 -15.594 -9.562 -7.665 1.00 13.32 N ATOM 2477 CA HIS A 155 -16.818 -10.000 -6.987 1.00 60.30 C ATOM 2478 C HIS A 155 -16.974 -9.182 -5.697 1.00 60.32 C ATOM 2479 O HIS A 155 -16.540 -9.617 -4.618 1.00 4.31 O ATOM 2480 CB HIS A 155 -16.778 -11.524 -6.683 1.00 75.22 C ATOM 2481 CG HIS A 155 -16.599 -12.390 -7.899 1.00 5.21 C ATOM 2482 ND1 HIS A 155 -17.647 -12.798 -8.688 1.00 15.21 N ATOM 2483 CD2 HIS A 155 -15.488 -12.937 -8.442 1.00 75.25 C ATOM 2484 CE1 HIS A 155 -17.194 -13.560 -9.661 1.00 53.20 C ATOM 2485 NE2 HIS A 155 -15.887 -13.660 -9.535 1.00 73.13 N ATOM 0 H HIS A 155 -14.782 -10.147 -7.468 1.00 13.32 H new ATOM 0 HA HIS A 155 -17.677 -9.831 -7.636 1.00 60.30 H new ATOM 0 HB2 HIS A 155 -15.964 -11.723 -5.986 1.00 75.22 H new ATOM 0 HB3 HIS A 155 -17.703 -11.808 -6.182 1.00 75.22 H new ATOM 0 HD2 HIS A 155 -14.476 -12.825 -8.082 1.00 75.25 H new ATOM 0 HE1 HIS A 155 -17.792 -14.024 -10.431 1.00 53.20 H new ATOM 0 HE2 HIS A 155 -15.271 -14.190 -10.152 1.00 73.13 H new ATOM 2494 N HIS A 156 -17.515 -7.955 -5.850 1.00 74.44 N ATOM 2495 CA HIS A 156 -17.707 -7.007 -4.736 1.00 21.20 C ATOM 2496 C HIS A 156 -18.634 -7.624 -3.668 1.00 21.43 C ATOM 2497 O HIS A 156 -19.758 -8.054 -3.974 1.00 50.42 O ATOM 2498 CB HIS A 156 -18.269 -5.645 -5.256 1.00 53.45 C ATOM 2499 CG HIS A 156 -19.661 -5.723 -5.840 1.00 31.41 C ATOM 2500 ND1 HIS A 156 -20.793 -5.348 -5.143 1.00 63.45 N ATOM 2501 CD2 HIS A 156 -20.102 -6.149 -7.050 1.00 13.53 C ATOM 2502 CE1 HIS A 156 -21.858 -5.548 -5.887 1.00 51.25 C ATOM 2503 NE2 HIS A 156 -21.466 -6.034 -7.045 1.00 52.11 N ATOM 0 H HIS A 156 -17.831 -7.595 -6.751 1.00 74.44 H new ATOM 0 HA HIS A 156 -16.740 -6.808 -4.275 1.00 21.20 H new ATOM 0 HB2 HIS A 156 -18.274 -4.930 -4.433 1.00 53.45 H new ATOM 0 HB3 HIS A 156 -17.592 -5.253 -6.015 1.00 53.45 H new ATOM 0 HD2 HIS A 156 -19.492 -6.511 -7.864 1.00 13.53 H new ATOM 0 HE1 HIS A 156 -22.879 -5.348 -5.598 1.00 51.25 H new ATOM 0 HE2 HIS A 156 -22.082 -6.286 -7.818 1.00 52.11 H new ATOM 2512 N HIS A 157 -18.127 -7.709 -2.435 1.00 73.24 N ATOM 2513 CA HIS A 157 -18.867 -8.282 -1.308 1.00 42.43 C ATOM 2514 C HIS A 157 -19.962 -7.323 -0.823 1.00 3.30 C ATOM 2515 O HIS A 157 -19.677 -6.226 -0.337 1.00 2.54 O ATOM 2516 CB HIS A 157 -17.912 -8.671 -0.148 1.00 41.12 C ATOM 2517 CG HIS A 157 -17.205 -9.987 -0.363 1.00 22.45 C ATOM 2518 ND1 HIS A 157 -16.078 -10.125 -1.139 1.00 32.45 N ATOM 2519 CD2 HIS A 157 -17.488 -11.228 0.101 1.00 32.42 C ATOM 2520 CE1 HIS A 157 -15.702 -11.388 -1.149 1.00 33.22 C ATOM 2521 NE2 HIS A 157 -16.538 -12.080 -0.403 1.00 11.13 N ATOM 0 H HIS A 157 -17.192 -7.383 -2.190 1.00 73.24 H new ATOM 0 HA HIS A 157 -19.351 -9.194 -1.658 1.00 42.43 H new ATOM 0 HB2 HIS A 157 -17.168 -7.885 -0.022 1.00 41.12 H new ATOM 0 HB3 HIS A 157 -18.482 -8.722 0.780 1.00 41.12 H new ATOM 0 HD2 HIS A 157 -18.310 -11.497 0.748 1.00 32.42 H new ATOM 0 HE1 HIS A 157 -14.851 -11.788 -1.680 1.00 33.22 H new ATOM 0 HE2 HIS A 157 -16.488 -13.084 -0.229 1.00 11.13 H new ATOM 2530 N HIS A 158 -21.219 -7.768 -0.987 1.00 54.10 N ATOM 2531 CA HIS A 158 -22.418 -7.110 -0.415 1.00 22.33 C ATOM 2532 C HIS A 158 -22.706 -7.653 1.001 1.00 13.12 C ATOM 2533 O HIS A 158 -23.767 -7.388 1.574 1.00 55.20 O ATOM 2534 CB HIS A 158 -23.643 -7.335 -1.342 1.00 34.13 C ATOM 2535 CG HIS A 158 -24.020 -8.786 -1.549 1.00 2.20 C ATOM 2536 ND1 HIS A 158 -24.872 -9.472 -0.709 1.00 34.55 N ATOM 2537 CD2 HIS A 158 -23.667 -9.672 -2.515 1.00 14.14 C ATOM 2538 CE1 HIS A 158 -25.024 -10.705 -1.143 1.00 44.13 C ATOM 2539 NE2 HIS A 158 -24.305 -10.849 -2.238 1.00 13.23 N ATOM 0 H HIS A 158 -21.440 -8.605 -1.527 1.00 54.10 H new ATOM 0 HA HIS A 158 -22.228 -6.039 -0.340 1.00 22.33 H new ATOM 0 HB2 HIS A 158 -24.500 -6.807 -0.924 1.00 34.13 H new ATOM 0 HB3 HIS A 158 -23.434 -6.886 -2.313 1.00 34.13 H new ATOM 0 HD2 HIS A 158 -23.005 -9.482 -3.347 1.00 14.14 H new ATOM 0 HE1 HIS A 158 -25.633 -11.468 -0.681 1.00 44.13 H new ATOM 0 HE2 HIS A 158 -24.236 -11.703 -2.791 1.00 13.23 H new ATOM 2548 N HIS A 159 -21.742 -8.416 1.540 1.00 14.32 N ATOM 2549 CA HIS A 159 -21.839 -9.074 2.843 1.00 63.05 C ATOM 2550 C HIS A 159 -20.446 -9.101 3.490 1.00 44.11 C ATOM 2551 O HIS A 159 -19.438 -9.292 2.796 1.00 62.20 O ATOM 2552 CB HIS A 159 -22.379 -10.514 2.651 1.00 41.21 C ATOM 2553 CG HIS A 159 -22.538 -11.308 3.926 1.00 71.23 C ATOM 2554 ND1 HIS A 159 -21.534 -12.086 4.455 1.00 54.44 N ATOM 2555 CD2 HIS A 159 -23.597 -11.460 4.757 1.00 15.13 C ATOM 2556 CE1 HIS A 159 -21.964 -12.675 5.549 1.00 51.13 C ATOM 2557 NE2 HIS A 159 -23.211 -12.312 5.756 1.00 74.31 N ATOM 0 H HIS A 159 -20.856 -8.594 1.068 1.00 14.32 H new ATOM 0 HA HIS A 159 -22.524 -8.529 3.493 1.00 63.05 H new ATOM 0 HB2 HIS A 159 -23.346 -10.460 2.150 1.00 41.21 H new ATOM 0 HB3 HIS A 159 -21.705 -11.054 1.986 1.00 41.21 H new ATOM 0 HD2 HIS A 159 -24.566 -10.995 4.651 1.00 15.13 H new ATOM 0 HE1 HIS A 159 -21.390 -13.344 6.173 1.00 51.13 H new ATOM 0 HE2 HIS A 159 -23.796 -12.616 6.535 1.00 74.31 H new ATOM 2566 N HIS A 160 -20.404 -8.909 4.814 1.00 71.11 N ATOM 2567 CA HIS A 160 -19.158 -8.932 5.596 1.00 51.43 C ATOM 2568 C HIS A 160 -18.746 -10.399 5.865 1.00 13.01 C ATOM 2569 O HIS A 160 -17.912 -10.936 5.114 1.00 31.21 O ATOM 2570 CB HIS A 160 -19.335 -8.129 6.917 1.00 5.12 C ATOM 2571 CG HIS A 160 -19.531 -6.648 6.712 1.00 0.33 C ATOM 2572 ND1 HIS A 160 -18.543 -5.726 6.958 1.00 31.05 N ATOM 2573 CD2 HIS A 160 -20.602 -5.936 6.284 1.00 65.43 C ATOM 2574 CE1 HIS A 160 -18.992 -4.517 6.693 1.00 40.23 C ATOM 2575 NE2 HIS A 160 -20.236 -4.613 6.281 1.00 53.14 N ATOM 2576 OXT HIS A 160 -19.292 -11.022 6.796 1.00 37.33 O ATOM 0 H HIS A 160 -21.236 -8.732 5.377 1.00 71.11 H new ATOM 0 HA HIS A 160 -18.359 -8.453 5.031 1.00 51.43 H new ATOM 0 HB2 HIS A 160 -20.192 -8.527 7.460 1.00 5.12 H new ATOM 0 HB3 HIS A 160 -18.459 -8.286 7.546 1.00 5.12 H new ATOM 0 HD1 HIS A 160 -17.605 -5.944 7.294 1.00 31.05 H new ATOM 0 HD2 HIS A 160 -21.564 -6.335 5.999 1.00 65.43 H new ATOM 0 HE1 HIS A 160 -18.431 -3.600 6.797 1.00 40.23 H new TER 2585 HIS A 160