USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1081 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 112 THR OG1 : rot -106:sc= -0.141 USER MOD Set 1.2: A 115 ASN : amide:sc= -1.31 K(o=-1.5,f=-2.2) USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 58 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 1 GLU N :NH3+ 136:sc= 0.141 (180deg=-1.15) USER MOD Single : A 5 HIS : no HD1:sc=-0.00228 X(o=-0.0023,f=-0.0023) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc=-0.00281 (180deg=-0.154) USER MOD Single : A 10 THR OG1 : rot 83:sc= 0.348 USER MOD Single : A 12 GLN : amide:sc= -1.14! K(o=-1.1!,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= -2.43! (180deg=-2.99!) USER MOD Single : A 17 THR OG1 : rot 88:sc= 0.748 USER MOD Single : A 19 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -60:sc= 0.784 USER MOD Single : A 24 GLN : amide:sc= -3.22! K(o=-3.2!,f=-1.6) USER MOD Single : A 25 LYS NZ :NH3+ -145:sc= 0.125 (180deg=-0.441) USER MOD Single : A 26 THR OG1 : rot -140:sc= 0.207 USER MOD Single : A 29 THR OG1 : rot -85:sc= 0.107 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 150:sc= -1.64 (180deg=-2.23!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= -0.71 (180deg=-1.25!) USER MOD Single : A 48 THR OG1 : rot 44:sc= -1.07! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0041 USER MOD Single : A 60 TYR OH : rot 157:sc= 0.108 USER MOD Single : A 61 SER OG : rot 78:sc= 0.91 USER MOD Single : A 62 HIS : no HD1:sc= -0.814 K(o=-0.81,f=-2.9!) USER MOD Single : A 63 HIS : no HD1:sc= -3.36! K(o=-3.4!,f=-2.3) USER MOD Single : A 65 LYS NZ :NH3+ -158:sc=-0.00997 (180deg=-0.707) USER MOD Single : A 67 THR OG1 : rot -71:sc= 1.06 USER MOD Single : A 73 THR OG1 : rot -110:sc= -0.424 USER MOD Single : A 75 GLN : amide:sc= -3.48! C(o=-3.5!,f=-7.4!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.00075) USER MOD Single : A 80 HIS : no HD1:sc= -2.07! K(o=-2.1!,f=-1.2) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= 0.094 (180deg=-0.35) USER MOD Single : A 93 ASN : amide:sc= -3.67! C(o=-3.7!,f=-3.8!) USER MOD Single : A 101 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.83) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -160:sc= -3.83! (180deg=-5.07!) USER MOD Single : A 110 GLN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 144:sc= -0.22 (180deg=-1.2!) USER MOD Single : A 122 THR OG1 : rot 79:sc= 0.91 USER MOD Single : A 124 MET CE :methyl 176:sc= -0.444 (180deg=-0.535) USER MOD Single : A 127 LYS NZ :NH3+ -171:sc= -0.711 (180deg=-1.06) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -124:sc= -6.95! (180deg=-10.6!) USER MOD Single : A 132 SER OG : rot 70:sc= 0.585 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -22.998 7.480 14.275 1.00 13.71 N ATOM 2 CA GLU A 1 -24.062 8.137 13.463 1.00 12.19 C ATOM 3 C GLU A 1 -23.477 8.583 12.121 1.00 10.94 C ATOM 4 O GLU A 1 -22.334 8.988 12.035 1.00 10.97 O ATOM 5 CB GLU A 1 -24.597 9.357 14.216 1.00 12.25 C ATOM 6 CG GLU A 1 -23.430 10.252 14.635 1.00 12.79 C ATOM 7 CD GLU A 1 -23.333 10.284 16.162 1.00 14.28 C ATOM 8 OE1 GLU A 1 -23.427 9.227 16.764 1.00 15.25 O ATOM 9 OE2 GLU A 1 -23.166 11.365 16.703 1.00 14.49 O ATOM 0 H1 GLU A 1 -23.050 7.821 15.256 1.00 13.71 H new ATOM 0 H2 GLU A 1 -23.136 6.449 14.259 1.00 13.71 H new ATOM 0 H3 GLU A 1 -22.065 7.711 13.877 1.00 13.71 H new ATOM 0 HA GLU A 1 -24.874 7.431 13.289 1.00 12.19 H new ATOM 0 HB2 GLU A 1 -25.287 9.914 13.583 1.00 12.25 H new ATOM 0 HB3 GLU A 1 -25.158 9.038 15.095 1.00 12.25 H new ATOM 0 HG2 GLU A 1 -22.499 9.877 14.209 1.00 12.79 H new ATOM 0 HG3 GLU A 1 -23.574 11.261 14.248 1.00 12.79 H new ATOM 18 N ALA A 2 -24.252 8.513 11.074 1.00 9.98 N ATOM 19 CA ALA A 2 -23.739 8.932 9.739 1.00 8.83 C ATOM 20 C ALA A 2 -24.049 10.415 9.517 1.00 7.53 C ATOM 21 O ALA A 2 -25.150 10.781 9.156 1.00 6.65 O ATOM 22 CB ALA A 2 -24.416 8.101 8.648 1.00 8.50 C ATOM 0 H ALA A 2 -25.217 8.184 11.085 1.00 9.98 H new ATOM 0 HA ALA A 2 -22.661 8.775 9.698 1.00 8.83 H new ATOM 0 HB1 ALA A 2 -24.041 8.408 7.672 1.00 8.50 H new ATOM 0 HB2 ALA A 2 -24.196 7.045 8.806 1.00 8.50 H new ATOM 0 HB3 ALA A 2 -25.494 8.257 8.688 1.00 8.50 H new ATOM 28 N GLU A 3 -23.087 11.270 9.729 1.00 7.79 N ATOM 29 CA GLU A 3 -23.328 12.726 9.529 1.00 7.30 C ATOM 30 C GLU A 3 -23.269 13.054 8.036 1.00 6.46 C ATOM 31 O GLU A 3 -23.197 14.201 7.645 1.00 6.69 O ATOM 32 CB GLU A 3 -22.254 13.527 10.269 1.00 8.44 C ATOM 33 CG GLU A 3 -22.590 13.577 11.761 1.00 9.29 C ATOM 34 CD GLU A 3 -21.538 14.411 12.494 1.00 10.41 C ATOM 35 OE1 GLU A 3 -21.723 15.613 12.586 1.00 10.73 O ATOM 36 OE2 GLU A 3 -20.565 13.834 12.952 1.00 11.06 O ATOM 0 H GLU A 3 -22.145 11.023 10.032 1.00 7.79 H new ATOM 0 HA GLU A 3 -24.311 12.988 9.920 1.00 7.30 H new ATOM 0 HB2 GLU A 3 -21.277 13.068 10.121 1.00 8.44 H new ATOM 0 HB3 GLU A 3 -22.196 14.538 9.865 1.00 8.44 H new ATOM 0 HG2 GLU A 3 -23.579 14.010 11.907 1.00 9.29 H new ATOM 0 HG3 GLU A 3 -22.620 12.568 12.172 1.00 9.29 H new ATOM 43 N ALA A 4 -23.300 12.053 7.199 1.00 5.79 N ATOM 44 CA ALA A 4 -23.246 12.308 5.732 1.00 5.23 C ATOM 45 C ALA A 4 -23.808 11.097 4.983 1.00 4.04 C ATOM 46 O ALA A 4 -24.692 10.414 5.462 1.00 4.08 O ATOM 47 CB ALA A 4 -21.796 12.541 5.307 1.00 6.78 C ATOM 0 H ALA A 4 -23.360 11.071 7.467 1.00 5.79 H new ATOM 0 HA ALA A 4 -23.840 13.191 5.495 1.00 5.23 H new ATOM 0 HB1 ALA A 4 -21.757 12.727 4.234 1.00 6.78 H new ATOM 0 HB2 ALA A 4 -21.395 13.403 5.840 1.00 6.78 H new ATOM 0 HB3 ALA A 4 -21.201 11.659 5.544 1.00 6.78 H new ATOM 53 N HIS A 5 -23.303 10.826 3.811 1.00 3.16 N ATOM 54 CA HIS A 5 -23.808 9.659 3.034 1.00 2.12 C ATOM 55 C HIS A 5 -23.057 8.396 3.462 1.00 1.49 C ATOM 56 O HIS A 5 -22.191 8.437 4.313 1.00 1.80 O ATOM 57 CB HIS A 5 -23.582 9.905 1.541 1.00 1.32 C ATOM 58 CG HIS A 5 -24.045 11.291 1.184 1.00 1.62 C ATOM 59 ND1 HIS A 5 -23.261 12.166 0.450 1.00 1.95 N ATOM 60 CD2 HIS A 5 -25.209 11.967 1.454 1.00 2.10 C ATOM 61 CE1 HIS A 5 -23.957 13.308 0.304 1.00 2.38 C ATOM 62 NE2 HIS A 5 -25.151 13.240 0.897 1.00 2.39 N ATOM 0 H HIS A 5 -22.563 11.362 3.358 1.00 3.16 H new ATOM 0 HA HIS A 5 -24.873 9.530 3.225 1.00 2.12 H new ATOM 0 HB2 HIS A 5 -22.526 9.790 1.299 1.00 1.32 H new ATOM 0 HB3 HIS A 5 -24.127 9.166 0.953 1.00 1.32 H new ATOM 0 HD2 HIS A 5 -26.043 11.570 2.014 1.00 2.10 H new ATOM 0 HE1 HIS A 5 -23.594 14.175 -0.228 1.00 2.38 H new ATOM 0 HE2 HIS A 5 -25.867 13.966 0.934 1.00 2.39 H new ATOM 70 N LYS A 6 -23.384 7.275 2.881 1.00 0.81 N ATOM 71 CA LYS A 6 -22.689 6.012 3.256 1.00 0.52 C ATOM 72 C LYS A 6 -21.392 5.885 2.453 1.00 0.38 C ATOM 73 O LYS A 6 -20.445 5.256 2.881 1.00 0.41 O ATOM 74 CB LYS A 6 -23.597 4.819 2.949 1.00 0.61 C ATOM 75 CG LYS A 6 -23.103 3.590 3.714 1.00 1.51 C ATOM 76 CD LYS A 6 -23.915 2.364 3.292 1.00 2.06 C ATOM 77 CE LYS A 6 -23.399 1.129 4.031 1.00 3.02 C ATOM 78 NZ LYS A 6 -23.795 1.206 5.465 1.00 2.35 N ATOM 0 H LYS A 6 -24.102 7.179 2.163 1.00 0.81 H new ATOM 0 HA LYS A 6 -22.457 6.028 4.321 1.00 0.52 H new ATOM 0 HB2 LYS A 6 -24.624 5.048 3.233 1.00 0.61 H new ATOM 0 HB3 LYS A 6 -23.600 4.617 1.878 1.00 0.61 H new ATOM 0 HG2 LYS A 6 -22.045 3.425 3.513 1.00 1.51 H new ATOM 0 HG3 LYS A 6 -23.202 3.753 4.787 1.00 1.51 H new ATOM 0 HD2 LYS A 6 -24.970 2.520 3.515 1.00 2.06 H new ATOM 0 HD3 LYS A 6 -23.836 2.216 2.215 1.00 2.06 H new ATOM 0 HE2 LYS A 6 -23.806 0.225 3.578 1.00 3.02 H new ATOM 0 HE3 LYS A 6 -22.314 1.068 3.945 1.00 3.02 H new ATOM 0 HZ1 LYS A 6 -23.643 0.282 5.917 1.00 2.35 H new ATOM 0 HZ2 LYS A 6 -23.219 1.926 5.946 1.00 2.35 H new ATOM 0 HZ3 LYS A 6 -24.800 1.464 5.534 1.00 2.35 H new ATOM 92 N CYS A 7 -21.343 6.479 1.292 1.00 0.39 N ATOM 93 CA CYS A 7 -20.106 6.392 0.463 1.00 0.30 C ATOM 94 C CYS A 7 -18.886 6.696 1.335 1.00 0.26 C ATOM 95 O CYS A 7 -18.843 7.688 2.034 1.00 0.24 O ATOM 96 CB CYS A 7 -20.186 7.408 -0.677 1.00 0.37 C ATOM 97 SG CYS A 7 -21.918 7.680 -1.125 1.00 0.98 S ATOM 0 H CYS A 7 -22.104 7.020 0.882 1.00 0.39 H new ATOM 0 HA CYS A 7 -20.014 5.388 0.049 1.00 0.30 H new ATOM 0 HB2 CYS A 7 -19.726 8.348 -0.373 1.00 0.37 H new ATOM 0 HB3 CYS A 7 -19.629 7.046 -1.541 1.00 0.37 H new ATOM 102 N ASP A 8 -17.894 5.850 1.297 1.00 0.26 N ATOM 103 CA ASP A 8 -16.677 6.092 2.124 1.00 0.24 C ATOM 104 C ASP A 8 -15.806 7.152 1.449 1.00 0.25 C ATOM 105 O ASP A 8 -15.608 7.139 0.250 1.00 0.40 O ATOM 106 CB ASP A 8 -15.884 4.790 2.256 1.00 0.27 C ATOM 107 CG ASP A 8 -14.790 4.964 3.311 1.00 0.56 C ATOM 108 OD1 ASP A 8 -14.520 6.097 3.675 1.00 1.23 O ATOM 109 OD2 ASP A 8 -14.238 3.962 3.735 1.00 1.36 O ATOM 0 H ASP A 8 -17.873 5.002 0.730 1.00 0.26 H new ATOM 0 HA ASP A 8 -16.973 6.440 3.114 1.00 0.24 H new ATOM 0 HB2 ASP A 8 -16.549 3.974 2.538 1.00 0.27 H new ATOM 0 HB3 ASP A 8 -15.440 4.523 1.297 1.00 0.27 H new ATOM 114 N ILE A 9 -15.280 8.074 2.211 1.00 0.22 N ATOM 115 CA ILE A 9 -14.421 9.134 1.614 1.00 0.20 C ATOM 116 C ILE A 9 -12.955 8.698 1.675 1.00 0.16 C ATOM 117 O ILE A 9 -12.115 9.211 0.962 1.00 0.16 O ATOM 118 CB ILE A 9 -14.599 10.436 2.397 1.00 0.23 C ATOM 119 CG1 ILE A 9 -13.744 11.534 1.760 1.00 0.25 C ATOM 120 CG2 ILE A 9 -14.158 10.224 3.846 1.00 0.21 C ATOM 121 CD1 ILE A 9 -14.262 12.904 2.200 1.00 0.31 C ATOM 0 H ILE A 9 -15.409 8.138 3.221 1.00 0.22 H new ATOM 0 HA ILE A 9 -14.710 9.293 0.575 1.00 0.20 H new ATOM 0 HB ILE A 9 -15.648 10.732 2.376 1.00 0.23 H new ATOM 0 HG12 ILE A 9 -12.702 11.415 2.056 1.00 0.25 H new ATOM 0 HG13 ILE A 9 -13.778 11.452 0.674 1.00 0.25 H new ATOM 0 HG21 ILE A 9 -14.285 11.152 4.404 1.00 0.21 H new ATOM 0 HG22 ILE A 9 -14.765 9.441 4.300 1.00 0.21 H new ATOM 0 HG23 ILE A 9 -13.109 9.928 3.868 1.00 0.21 H new ATOM 0 HD11 ILE A 9 -13.653 13.686 1.746 1.00 0.31 H new ATOM 0 HD12 ILE A 9 -15.298 13.021 1.882 1.00 0.31 H new ATOM 0 HD13 ILE A 9 -14.205 12.983 3.286 1.00 0.31 H new ATOM 133 N THR A 10 -12.642 7.756 2.522 1.00 0.19 N ATOM 134 CA THR A 10 -11.231 7.289 2.628 1.00 0.20 C ATOM 135 C THR A 10 -10.817 6.616 1.317 1.00 0.22 C ATOM 136 O THR A 10 -9.718 6.799 0.834 1.00 0.21 O ATOM 137 CB THR A 10 -11.110 6.286 3.777 1.00 0.22 C ATOM 138 OG1 THR A 10 -11.902 6.725 4.872 1.00 0.21 O ATOM 139 CG2 THR A 10 -9.647 6.183 4.213 1.00 0.27 C ATOM 0 H THR A 10 -13.302 7.290 3.145 1.00 0.19 H new ATOM 0 HA THR A 10 -10.580 8.141 2.821 1.00 0.20 H new ATOM 0 HB THR A 10 -11.458 5.308 3.445 1.00 0.22 H new ATOM 0 HG1 THR A 10 -12.833 6.452 4.733 1.00 0.21 H new ATOM 0 HG21 THR A 10 -9.561 5.468 5.032 1.00 0.27 H new ATOM 0 HG22 THR A 10 -9.040 5.847 3.373 1.00 0.27 H new ATOM 0 HG23 THR A 10 -9.297 7.160 4.546 1.00 0.27 H new ATOM 147 N LEU A 11 -11.690 5.840 0.736 1.00 0.26 N ATOM 148 CA LEU A 11 -11.344 5.159 -0.542 1.00 0.28 C ATOM 149 C LEU A 11 -11.064 6.211 -1.618 1.00 0.28 C ATOM 150 O LEU A 11 -10.398 5.949 -2.599 1.00 0.28 O ATOM 151 CB LEU A 11 -12.513 4.275 -0.983 1.00 0.29 C ATOM 152 CG LEU A 11 -12.900 3.330 0.156 1.00 0.29 C ATOM 153 CD1 LEU A 11 -14.073 2.451 -0.284 1.00 0.34 C ATOM 154 CD2 LEU A 11 -11.705 2.442 0.512 1.00 0.21 C ATOM 0 H LEU A 11 -12.627 5.649 1.091 1.00 0.26 H new ATOM 0 HA LEU A 11 -10.458 4.541 -0.397 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -13.366 4.894 -1.261 1.00 0.29 H new ATOM 0 HB3 LEU A 11 -12.235 3.701 -1.867 1.00 0.29 H new ATOM 0 HG LEU A 11 -13.191 3.915 1.028 1.00 0.29 H new ATOM 0 HD11 LEU A 11 -14.348 1.778 0.528 1.00 0.34 H new ATOM 0 HD12 LEU A 11 -14.925 3.082 -0.537 1.00 0.34 H new ATOM 0 HD13 LEU A 11 -13.782 1.866 -1.157 1.00 0.34 H new ATOM 0 HD21 LEU A 11 -11.981 1.769 1.324 1.00 0.21 H new ATOM 0 HD22 LEU A 11 -11.413 1.858 -0.361 1.00 0.21 H new ATOM 0 HD23 LEU A 11 -10.869 3.066 0.827 1.00 0.21 H new ATOM 166 N GLN A 12 -11.568 7.402 -1.438 1.00 0.28 N ATOM 167 CA GLN A 12 -11.333 8.471 -2.449 1.00 0.28 C ATOM 168 C GLN A 12 -9.933 9.057 -2.256 1.00 0.27 C ATOM 169 O GLN A 12 -9.078 8.943 -3.112 1.00 0.31 O ATOM 170 CB GLN A 12 -12.377 9.576 -2.275 1.00 0.28 C ATOM 171 CG GLN A 12 -12.311 10.534 -3.466 1.00 0.25 C ATOM 172 CD GLN A 12 -13.376 11.620 -3.308 1.00 0.46 C ATOM 173 OE1 GLN A 12 -13.603 12.400 -4.210 1.00 1.23 O ATOM 174 NE2 GLN A 12 -14.045 11.704 -2.189 1.00 1.25 N ATOM 0 H GLN A 12 -12.132 7.680 -0.635 1.00 0.28 H new ATOM 0 HA GLN A 12 -11.415 8.048 -3.450 1.00 0.28 H new ATOM 0 HB2 GLN A 12 -13.373 9.141 -2.200 1.00 0.28 H new ATOM 0 HB3 GLN A 12 -12.196 10.119 -1.348 1.00 0.28 H new ATOM 0 HG2 GLN A 12 -11.321 10.987 -3.527 1.00 0.25 H new ATOM 0 HG3 GLN A 12 -12.470 9.987 -4.395 1.00 0.25 H new ATOM 0 HE21 GLN A 12 -13.855 11.049 -1.431 1.00 1.25 H new ATOM 0 HE22 GLN A 12 -14.758 12.425 -2.074 1.00 1.25 H new ATOM 183 N GLU A 13 -9.690 9.685 -1.138 1.00 0.23 N ATOM 184 CA GLU A 13 -8.344 10.278 -0.895 1.00 0.23 C ATOM 185 C GLU A 13 -7.280 9.183 -0.994 1.00 0.19 C ATOM 186 O GLU A 13 -6.125 9.450 -1.262 1.00 0.16 O ATOM 187 CB GLU A 13 -8.306 10.908 0.501 1.00 0.26 C ATOM 188 CG GLU A 13 -8.292 9.807 1.565 1.00 0.34 C ATOM 189 CD GLU A 13 -6.849 9.524 1.990 1.00 0.94 C ATOM 190 OE1 GLU A 13 -5.958 9.766 1.193 1.00 2.35 O ATOM 191 OE2 GLU A 13 -6.661 9.069 3.106 1.00 1.03 O ATOM 0 H GLU A 13 -10.364 9.813 -0.383 1.00 0.23 H new ATOM 0 HA GLU A 13 -8.144 11.046 -1.642 1.00 0.23 H new ATOM 0 HB2 GLU A 13 -7.421 11.536 0.603 1.00 0.26 H new ATOM 0 HB3 GLU A 13 -9.173 11.553 0.643 1.00 0.26 H new ATOM 0 HG2 GLU A 13 -8.883 10.114 2.428 1.00 0.34 H new ATOM 0 HG3 GLU A 13 -8.750 8.900 1.171 1.00 0.34 H new ATOM 198 N ILE A 14 -7.660 7.952 -0.782 1.00 0.19 N ATOM 199 CA ILE A 14 -6.668 6.843 -0.868 1.00 0.15 C ATOM 200 C ILE A 14 -6.265 6.632 -2.328 1.00 0.12 C ATOM 201 O ILE A 14 -5.101 6.667 -2.672 1.00 0.06 O ATOM 202 CB ILE A 14 -7.292 5.558 -0.320 1.00 0.17 C ATOM 203 CG1 ILE A 14 -7.175 5.544 1.206 1.00 0.14 C ATOM 204 CG2 ILE A 14 -6.558 4.346 -0.897 1.00 0.22 C ATOM 205 CD1 ILE A 14 -8.054 4.431 1.778 1.00 0.14 C ATOM 0 H ILE A 14 -8.612 7.667 -0.553 1.00 0.19 H new ATOM 0 HA ILE A 14 -5.786 7.098 -0.281 1.00 0.15 H new ATOM 0 HB ILE A 14 -8.343 5.516 -0.605 1.00 0.17 H new ATOM 0 HG12 ILE A 14 -6.137 5.389 1.500 1.00 0.14 H new ATOM 0 HG13 ILE A 14 -7.481 6.508 1.613 1.00 0.14 H new ATOM 0 HG21 ILE A 14 -7.003 3.431 -0.506 1.00 0.22 H new ATOM 0 HG22 ILE A 14 -6.641 4.354 -1.984 1.00 0.22 H new ATOM 0 HG23 ILE A 14 -5.507 4.388 -0.613 1.00 0.22 H new ATOM 0 HD11 ILE A 14 -7.969 4.423 2.865 1.00 0.14 H new ATOM 0 HD12 ILE A 14 -9.092 4.606 1.496 1.00 0.14 H new ATOM 0 HD13 ILE A 14 -7.728 3.470 1.381 1.00 0.14 H new ATOM 217 N ILE A 15 -7.220 6.414 -3.192 1.00 0.15 N ATOM 218 CA ILE A 15 -6.890 6.203 -4.628 1.00 0.15 C ATOM 219 C ILE A 15 -6.021 7.361 -5.127 1.00 0.13 C ATOM 220 O ILE A 15 -4.962 7.158 -5.687 1.00 0.14 O ATOM 221 CB ILE A 15 -8.182 6.147 -5.446 1.00 0.18 C ATOM 222 CG1 ILE A 15 -8.905 4.828 -5.162 1.00 0.18 C ATOM 223 CG2 ILE A 15 -7.848 6.235 -6.936 1.00 0.20 C ATOM 224 CD1 ILE A 15 -10.362 4.936 -5.619 1.00 0.21 C ATOM 0 H ILE A 15 -8.213 6.373 -2.964 1.00 0.15 H new ATOM 0 HA ILE A 15 -6.347 5.265 -4.742 1.00 0.15 H new ATOM 0 HB ILE A 15 -8.825 6.983 -5.169 1.00 0.18 H new ATOM 0 HG12 ILE A 15 -8.409 4.009 -5.683 1.00 0.18 H new ATOM 0 HG13 ILE A 15 -8.863 4.600 -4.097 1.00 0.18 H new ATOM 0 HG21 ILE A 15 -8.769 6.195 -7.518 1.00 0.20 H new ATOM 0 HG22 ILE A 15 -7.331 7.173 -7.138 1.00 0.20 H new ATOM 0 HG23 ILE A 15 -7.206 5.400 -7.215 1.00 0.20 H new ATOM 0 HD11 ILE A 15 -10.877 3.997 -5.417 1.00 0.21 H new ATOM 0 HD12 ILE A 15 -10.854 5.744 -5.077 1.00 0.21 H new ATOM 0 HD13 ILE A 15 -10.393 5.144 -6.688 1.00 0.21 H new ATOM 236 N LYS A 16 -6.460 8.572 -4.926 1.00 0.21 N ATOM 237 CA LYS A 16 -5.660 9.741 -5.389 1.00 0.20 C ATOM 238 C LYS A 16 -4.231 9.620 -4.855 1.00 0.18 C ATOM 239 O LYS A 16 -3.275 9.936 -5.536 1.00 0.20 O ATOM 240 CB LYS A 16 -6.292 11.032 -4.865 1.00 0.22 C ATOM 241 CG LYS A 16 -6.407 12.044 -6.007 1.00 0.90 C ATOM 242 CD LYS A 16 -6.759 13.420 -5.438 1.00 1.18 C ATOM 243 CE LYS A 16 -8.080 13.334 -4.671 1.00 0.56 C ATOM 244 NZ LYS A 16 -7.806 12.993 -3.247 1.00 1.95 N ATOM 0 H LYS A 16 -7.338 8.803 -4.461 1.00 0.21 H new ATOM 0 HA LYS A 16 -5.642 9.762 -6.479 1.00 0.20 H new ATOM 0 HB2 LYS A 16 -7.278 10.824 -4.449 1.00 0.22 H new ATOM 0 HB3 LYS A 16 -5.686 11.445 -4.059 1.00 0.22 H new ATOM 0 HG2 LYS A 16 -5.467 12.096 -6.557 1.00 0.90 H new ATOM 0 HG3 LYS A 16 -7.173 11.725 -6.714 1.00 0.90 H new ATOM 0 HD2 LYS A 16 -5.964 13.766 -4.777 1.00 1.18 H new ATOM 0 HD3 LYS A 16 -6.842 14.148 -6.245 1.00 1.18 H new ATOM 0 HE2 LYS A 16 -8.611 14.284 -4.733 1.00 0.56 H new ATOM 0 HE3 LYS A 16 -8.725 12.578 -5.120 1.00 0.56 H new ATOM 0 HZ1 LYS A 16 -8.305 12.115 -2.998 1.00 1.95 H new ATOM 0 HZ2 LYS A 16 -6.783 12.860 -3.113 1.00 1.95 H new ATOM 0 HZ3 LYS A 16 -8.138 13.766 -2.635 1.00 1.95 H new ATOM 258 N THR A 17 -4.077 9.165 -3.642 1.00 0.18 N ATOM 259 CA THR A 17 -2.709 9.024 -3.067 1.00 0.17 C ATOM 260 C THR A 17 -1.905 8.027 -3.904 1.00 0.15 C ATOM 261 O THR A 17 -0.747 8.244 -4.202 1.00 0.13 O ATOM 262 CB THR A 17 -2.812 8.516 -1.626 1.00 0.19 C ATOM 263 OG1 THR A 17 -3.778 9.285 -0.923 1.00 0.33 O ATOM 264 CG2 THR A 17 -1.452 8.650 -0.939 1.00 0.30 C ATOM 0 H THR A 17 -4.839 8.885 -3.024 1.00 0.18 H new ATOM 0 HA THR A 17 -2.208 9.992 -3.076 1.00 0.17 H new ATOM 0 HB THR A 17 -3.114 7.469 -1.629 1.00 0.19 H new ATOM 0 HG1 THR A 17 -4.664 8.884 -1.041 1.00 0.33 H new ATOM 0 HG21 THR A 17 -1.525 8.288 0.087 1.00 0.30 H new ATOM 0 HG22 THR A 17 -0.712 8.060 -1.480 1.00 0.30 H new ATOM 0 HG23 THR A 17 -1.149 9.697 -0.934 1.00 0.30 H new ATOM 272 N LEU A 18 -2.509 6.935 -4.284 1.00 0.21 N ATOM 273 CA LEU A 18 -1.778 5.925 -5.102 1.00 0.21 C ATOM 274 C LEU A 18 -1.279 6.579 -6.391 1.00 0.21 C ATOM 275 O LEU A 18 -0.214 6.265 -6.885 1.00 0.20 O ATOM 276 CB LEU A 18 -2.722 4.769 -5.446 1.00 0.20 C ATOM 277 CG LEU A 18 -2.731 3.748 -4.304 1.00 0.57 C ATOM 278 CD1 LEU A 18 -4.000 2.899 -4.392 1.00 0.23 C ATOM 279 CD2 LEU A 18 -1.506 2.831 -4.410 1.00 1.27 C ATOM 0 H LEU A 18 -3.476 6.698 -4.064 1.00 0.21 H new ATOM 0 HA LEU A 18 -0.928 5.543 -4.537 1.00 0.21 H new ATOM 0 HB2 LEU A 18 -3.730 5.148 -5.615 1.00 0.20 H new ATOM 0 HB3 LEU A 18 -2.403 4.290 -6.372 1.00 0.20 H new ATOM 0 HG LEU A 18 -2.703 4.279 -3.352 1.00 0.57 H new ATOM 0 HD11 LEU A 18 -4.008 2.172 -3.580 1.00 0.23 H new ATOM 0 HD12 LEU A 18 -4.875 3.543 -4.311 1.00 0.23 H new ATOM 0 HD13 LEU A 18 -4.022 2.376 -5.348 1.00 0.23 H new ATOM 0 HD21 LEU A 18 -1.521 2.108 -3.594 1.00 1.27 H new ATOM 0 HD22 LEU A 18 -1.528 2.303 -5.363 1.00 1.27 H new ATOM 0 HD23 LEU A 18 -0.597 3.429 -4.348 1.00 1.27 H new ATOM 291 N ASN A 19 -2.038 7.488 -6.939 1.00 0.28 N ATOM 292 CA ASN A 19 -1.606 8.161 -8.197 1.00 0.29 C ATOM 293 C ASN A 19 -0.356 8.999 -7.922 1.00 0.29 C ATOM 294 O ASN A 19 0.641 8.889 -8.607 1.00 0.24 O ATOM 295 CB ASN A 19 -2.728 9.069 -8.701 1.00 0.29 C ATOM 296 CG ASN A 19 -3.823 8.217 -9.348 1.00 0.34 C ATOM 297 OD1 ASN A 19 -3.695 7.804 -10.483 1.00 1.29 O ATOM 298 ND2 ASN A 19 -4.901 7.938 -8.669 1.00 0.89 N ATOM 0 H ASN A 19 -2.938 7.794 -6.570 1.00 0.28 H new ATOM 0 HA ASN A 19 -1.381 7.409 -8.953 1.00 0.29 H new ATOM 0 HB2 ASN A 19 -3.142 9.646 -7.874 1.00 0.29 H new ATOM 0 HB3 ASN A 19 -2.335 9.784 -9.423 1.00 0.29 H new ATOM 0 HD21 ASN A 19 -5.638 7.372 -9.091 1.00 0.89 H new ATOM 0 HD22 ASN A 19 -5.008 8.285 -7.716 1.00 0.89 H new ATOM 305 N SER A 20 -0.400 9.836 -6.922 1.00 0.41 N ATOM 306 CA SER A 20 0.786 10.681 -6.604 1.00 0.42 C ATOM 307 C SER A 20 2.019 9.788 -6.444 1.00 0.41 C ATOM 308 O SER A 20 3.122 10.169 -6.784 1.00 0.48 O ATOM 309 CB SER A 20 0.536 11.442 -5.301 1.00 0.50 C ATOM 310 OG SER A 20 -0.397 12.487 -5.541 1.00 0.66 O ATOM 0 H SER A 20 -1.206 9.971 -6.311 1.00 0.41 H new ATOM 0 HA SER A 20 0.953 11.392 -7.413 1.00 0.42 H new ATOM 0 HB2 SER A 20 0.153 10.764 -4.538 1.00 0.50 H new ATOM 0 HB3 SER A 20 1.471 11.853 -4.921 1.00 0.50 H new ATOM 0 HG SER A 20 -0.562 12.976 -4.708 1.00 0.66 H new ATOM 316 N LEU A 21 1.841 8.603 -5.929 1.00 0.39 N ATOM 317 CA LEU A 21 3.003 7.688 -5.747 1.00 0.39 C ATOM 318 C LEU A 21 3.587 7.327 -7.113 1.00 0.47 C ATOM 319 O LEU A 21 4.778 7.427 -7.336 1.00 0.60 O ATOM 320 CB LEU A 21 2.538 6.412 -5.037 1.00 0.39 C ATOM 321 CG LEU A 21 2.720 6.567 -3.524 1.00 0.21 C ATOM 322 CD1 LEU A 21 2.009 5.419 -2.807 1.00 0.29 C ATOM 323 CD2 LEU A 21 4.212 6.542 -3.165 1.00 0.06 C ATOM 0 H LEU A 21 0.942 8.229 -5.626 1.00 0.39 H new ATOM 0 HA LEU A 21 3.766 8.183 -5.146 1.00 0.39 H new ATOM 0 HB2 LEU A 21 1.491 6.216 -5.269 1.00 0.39 H new ATOM 0 HB3 LEU A 21 3.109 5.556 -5.396 1.00 0.39 H new ATOM 0 HG LEU A 21 2.294 7.520 -3.211 1.00 0.21 H new ATOM 0 HD11 LEU A 21 2.137 5.528 -1.730 1.00 0.29 H new ATOM 0 HD12 LEU A 21 0.947 5.441 -3.050 1.00 0.29 H new ATOM 0 HD13 LEU A 21 2.435 4.469 -3.129 1.00 0.29 H new ATOM 0 HD21 LEU A 21 4.329 6.653 -2.087 1.00 0.06 H new ATOM 0 HD22 LEU A 21 4.646 5.594 -3.481 1.00 0.06 H new ATOM 0 HD23 LEU A 21 4.722 7.362 -3.671 1.00 0.06 H new ATOM 335 N THR A 22 2.761 6.907 -8.032 1.00 0.46 N ATOM 336 CA THR A 22 3.271 6.540 -9.382 1.00 0.62 C ATOM 337 C THR A 22 4.136 7.677 -9.928 1.00 0.71 C ATOM 338 O THR A 22 5.225 7.459 -10.423 1.00 0.93 O ATOM 339 CB THR A 22 2.091 6.298 -10.326 1.00 0.71 C ATOM 340 OG1 THR A 22 1.291 7.470 -10.390 1.00 0.69 O ATOM 341 CG2 THR A 22 1.249 5.132 -9.806 1.00 0.69 C ATOM 0 H THR A 22 1.754 6.802 -7.905 1.00 0.46 H new ATOM 0 HA THR A 22 3.869 5.632 -9.309 1.00 0.62 H new ATOM 0 HB THR A 22 2.465 6.057 -11.321 1.00 0.71 H new ATOM 0 HG1 THR A 22 0.952 7.684 -9.496 1.00 0.69 H new ATOM 0 HG21 THR A 22 0.409 4.961 -10.479 1.00 0.69 H new ATOM 0 HG22 THR A 22 1.863 4.233 -9.757 1.00 0.69 H new ATOM 0 HG23 THR A 22 0.873 5.370 -8.811 1.00 0.69 H new ATOM 349 N GLU A 23 3.662 8.890 -9.844 1.00 0.60 N ATOM 350 CA GLU A 23 4.460 10.039 -10.360 1.00 0.68 C ATOM 351 C GLU A 23 5.897 9.931 -9.849 1.00 0.64 C ATOM 352 O GLU A 23 6.834 10.328 -10.513 1.00 0.72 O ATOM 353 CB GLU A 23 3.840 11.351 -9.872 1.00 0.67 C ATOM 354 CG GLU A 23 2.657 11.721 -10.769 1.00 0.73 C ATOM 355 CD GLU A 23 3.175 12.285 -12.093 1.00 1.50 C ATOM 356 OE1 GLU A 23 4.384 12.335 -12.261 1.00 2.63 O ATOM 357 OE2 GLU A 23 2.356 12.656 -12.917 1.00 1.80 O ATOM 0 H GLU A 23 2.758 9.135 -9.441 1.00 0.60 H new ATOM 0 HA GLU A 23 4.460 10.022 -11.450 1.00 0.68 H new ATOM 0 HB2 GLU A 23 3.508 11.247 -8.839 1.00 0.67 H new ATOM 0 HB3 GLU A 23 4.585 12.146 -9.889 1.00 0.67 H new ATOM 0 HG2 GLU A 23 2.038 10.843 -10.953 1.00 0.73 H new ATOM 0 HG3 GLU A 23 2.026 12.457 -10.271 1.00 0.73 H new ATOM 364 N GLN A 24 6.078 9.396 -8.673 1.00 0.53 N ATOM 365 CA GLN A 24 7.454 9.260 -8.117 1.00 0.50 C ATOM 366 C GLN A 24 8.004 7.872 -8.452 1.00 0.48 C ATOM 367 O GLN A 24 7.268 6.908 -8.540 1.00 0.44 O ATOM 368 CB GLN A 24 7.410 9.438 -6.597 1.00 0.44 C ATOM 369 CG GLN A 24 7.603 10.915 -6.250 1.00 0.66 C ATOM 370 CD GLN A 24 6.562 11.754 -6.995 1.00 1.51 C ATOM 371 OE1 GLN A 24 6.894 12.749 -7.608 1.00 2.61 O ATOM 372 NE2 GLN A 24 5.308 11.392 -6.968 1.00 2.66 N ATOM 0 H GLN A 24 5.331 9.047 -8.072 1.00 0.53 H new ATOM 0 HA GLN A 24 8.100 10.022 -8.554 1.00 0.50 H new ATOM 0 HB2 GLN A 24 6.456 9.083 -6.206 1.00 0.44 H new ATOM 0 HB3 GLN A 24 8.190 8.838 -6.127 1.00 0.44 H new ATOM 0 HG2 GLN A 24 7.503 11.063 -5.175 1.00 0.66 H new ATOM 0 HG3 GLN A 24 8.608 11.236 -6.524 1.00 0.66 H new ATOM 0 HE21 GLN A 24 5.029 10.557 -6.453 1.00 2.66 H new ATOM 0 HE22 GLN A 24 4.607 11.945 -7.462 1.00 2.66 H new ATOM 381 N LYS A 25 9.290 7.761 -8.642 1.00 0.53 N ATOM 382 CA LYS A 25 9.881 6.434 -8.972 1.00 0.51 C ATOM 383 C LYS A 25 11.313 6.364 -8.440 1.00 0.50 C ATOM 384 O LYS A 25 12.081 7.298 -8.569 1.00 1.00 O ATOM 385 CB LYS A 25 9.892 6.243 -10.490 1.00 0.54 C ATOM 386 CG LYS A 25 8.454 6.223 -11.013 1.00 0.58 C ATOM 387 CD LYS A 25 8.443 5.712 -12.455 1.00 0.28 C ATOM 388 CE LYS A 25 7.029 5.831 -13.028 1.00 0.56 C ATOM 389 NZ LYS A 25 6.090 5.014 -12.210 1.00 2.12 N ATOM 0 H LYS A 25 9.956 8.531 -8.583 1.00 0.53 H new ATOM 0 HA LYS A 25 9.284 5.648 -8.510 1.00 0.51 H new ATOM 0 HB2 LYS A 25 10.451 7.049 -10.964 1.00 0.54 H new ATOM 0 HB3 LYS A 25 10.396 5.311 -10.746 1.00 0.54 H new ATOM 0 HG2 LYS A 25 7.836 5.582 -10.384 1.00 0.58 H new ATOM 0 HG3 LYS A 25 8.025 7.224 -10.967 1.00 0.58 H new ATOM 0 HD2 LYS A 25 9.142 6.288 -13.061 1.00 0.28 H new ATOM 0 HD3 LYS A 25 8.774 4.674 -12.487 1.00 0.28 H new ATOM 0 HE2 LYS A 25 6.713 6.874 -13.030 1.00 0.56 H new ATOM 0 HE3 LYS A 25 7.015 5.492 -14.064 1.00 0.56 H new ATOM 0 HZ1 LYS A 25 5.361 4.602 -12.826 1.00 2.12 H new ATOM 0 HZ2 LYS A 25 6.615 4.251 -11.738 1.00 2.12 H new ATOM 0 HZ3 LYS A 25 5.638 5.618 -11.494 1.00 2.12 H new ATOM 403 N THR A 26 11.681 5.262 -7.843 1.00 0.21 N ATOM 404 CA THR A 26 13.062 5.126 -7.301 1.00 0.25 C ATOM 405 C THR A 26 13.533 3.681 -7.475 1.00 0.23 C ATOM 406 O THR A 26 12.849 2.861 -8.054 1.00 0.20 O ATOM 407 CB THR A 26 13.068 5.491 -5.815 1.00 0.26 C ATOM 408 OG1 THR A 26 12.700 4.352 -5.049 1.00 0.34 O ATOM 409 CG2 THR A 26 12.073 6.623 -5.559 1.00 0.27 C ATOM 0 H THR A 26 11.082 4.448 -7.707 1.00 0.21 H new ATOM 0 HA THR A 26 13.733 5.796 -7.839 1.00 0.25 H new ATOM 0 HB THR A 26 14.067 5.818 -5.526 1.00 0.26 H new ATOM 0 HG1 THR A 26 12.113 4.628 -4.314 1.00 0.34 H new ATOM 0 HG21 THR A 26 12.080 6.881 -4.500 1.00 0.27 H new ATOM 0 HG22 THR A 26 12.356 7.496 -6.147 1.00 0.27 H new ATOM 0 HG23 THR A 26 11.073 6.300 -5.848 1.00 0.27 H new ATOM 417 N LEU A 27 14.696 3.360 -6.976 1.00 0.28 N ATOM 418 CA LEU A 27 15.203 1.965 -7.116 1.00 0.29 C ATOM 419 C LEU A 27 14.555 1.077 -6.052 1.00 0.27 C ATOM 420 O LEU A 27 14.734 -0.124 -6.037 1.00 0.31 O ATOM 421 CB LEU A 27 16.724 1.953 -6.939 1.00 0.35 C ATOM 422 CG LEU A 27 17.081 2.333 -5.500 1.00 0.30 C ATOM 423 CD1 LEU A 27 17.484 1.076 -4.726 1.00 0.44 C ATOM 424 CD2 LEU A 27 18.252 3.319 -5.512 1.00 0.23 C ATOM 0 H LEU A 27 15.315 4.001 -6.479 1.00 0.28 H new ATOM 0 HA LEU A 27 14.952 1.585 -8.106 1.00 0.29 H new ATOM 0 HB2 LEU A 27 17.119 0.964 -7.172 1.00 0.35 H new ATOM 0 HB3 LEU A 27 17.186 2.653 -7.635 1.00 0.35 H new ATOM 0 HG LEU A 27 16.218 2.795 -5.020 1.00 0.30 H new ATOM 0 HD11 LEU A 27 17.738 1.346 -3.701 1.00 0.44 H new ATOM 0 HD12 LEU A 27 16.653 0.370 -4.720 1.00 0.44 H new ATOM 0 HD13 LEU A 27 18.348 0.615 -5.205 1.00 0.44 H new ATOM 0 HD21 LEU A 27 18.509 3.592 -4.488 1.00 0.23 H new ATOM 0 HD22 LEU A 27 19.114 2.854 -5.991 1.00 0.23 H new ATOM 0 HD23 LEU A 27 17.968 4.214 -6.066 1.00 0.23 H new ATOM 436 N CYS A 28 13.798 1.661 -5.162 1.00 0.22 N ATOM 437 CA CYS A 28 13.137 0.850 -4.100 1.00 0.19 C ATOM 438 C CYS A 28 12.056 -0.029 -4.732 1.00 0.24 C ATOM 439 O CYS A 28 11.529 -0.927 -4.106 1.00 0.34 O ATOM 440 CB CYS A 28 12.497 1.785 -3.072 1.00 0.14 C ATOM 441 SG CYS A 28 13.037 1.314 -1.410 1.00 0.19 S ATOM 0 H CYS A 28 13.609 2.663 -5.125 1.00 0.22 H new ATOM 0 HA CYS A 28 13.877 0.219 -3.607 1.00 0.19 H new ATOM 0 HB2 CYS A 28 12.779 2.817 -3.279 1.00 0.14 H new ATOM 0 HB3 CYS A 28 11.411 1.731 -3.142 1.00 0.14 H new ATOM 446 N THR A 29 11.721 0.222 -5.969 1.00 0.24 N ATOM 447 CA THR A 29 10.674 -0.600 -6.639 1.00 0.29 C ATOM 448 C THR A 29 11.247 -1.978 -6.978 1.00 0.40 C ATOM 449 O THR A 29 10.586 -2.987 -6.840 1.00 0.69 O ATOM 450 CB THR A 29 10.226 0.096 -7.926 1.00 0.31 C ATOM 451 OG1 THR A 29 11.326 0.191 -8.820 1.00 0.40 O ATOM 452 CG2 THR A 29 9.711 1.498 -7.597 1.00 0.22 C ATOM 0 H THR A 29 12.127 0.960 -6.544 1.00 0.24 H new ATOM 0 HA THR A 29 9.820 -0.715 -5.972 1.00 0.29 H new ATOM 0 HB THR A 29 9.428 -0.482 -8.392 1.00 0.31 H new ATOM 0 HG1 THR A 29 11.853 0.989 -8.607 1.00 0.40 H new ATOM 0 HG21 THR A 29 9.392 1.993 -8.514 1.00 0.22 H new ATOM 0 HG22 THR A 29 8.866 1.424 -6.912 1.00 0.22 H new ATOM 0 HG23 THR A 29 10.507 2.078 -7.130 1.00 0.22 H new ATOM 460 N GLU A 30 12.474 -2.028 -7.419 1.00 0.26 N ATOM 461 CA GLU A 30 13.088 -3.341 -7.766 1.00 0.32 C ATOM 462 C GLU A 30 12.937 -4.301 -6.585 1.00 0.33 C ATOM 463 O GLU A 30 13.091 -5.499 -6.723 1.00 0.51 O ATOM 464 CB GLU A 30 14.573 -3.144 -8.077 1.00 0.35 C ATOM 465 CG GLU A 30 14.724 -2.216 -9.284 1.00 0.31 C ATOM 466 CD GLU A 30 14.269 -2.946 -10.549 1.00 1.24 C ATOM 467 OE1 GLU A 30 13.089 -2.884 -10.854 1.00 2.50 O ATOM 468 OE2 GLU A 30 15.108 -3.555 -11.193 1.00 1.35 O ATOM 0 H GLU A 30 13.078 -1.217 -7.554 1.00 0.26 H new ATOM 0 HA GLU A 30 12.587 -3.757 -8.640 1.00 0.32 H new ATOM 0 HB2 GLU A 30 15.083 -2.719 -7.212 1.00 0.35 H new ATOM 0 HB3 GLU A 30 15.043 -4.106 -8.283 1.00 0.35 H new ATOM 0 HG2 GLU A 30 14.130 -1.313 -9.139 1.00 0.31 H new ATOM 0 HG3 GLU A 30 15.763 -1.901 -9.387 1.00 0.31 H new ATOM 475 N LEU A 31 12.635 -3.787 -5.424 1.00 0.19 N ATOM 476 CA LEU A 31 12.473 -4.672 -4.237 1.00 0.25 C ATOM 477 C LEU A 31 11.207 -5.515 -4.398 1.00 0.31 C ATOM 478 O LEU A 31 10.141 -5.004 -4.677 1.00 0.63 O ATOM 479 CB LEU A 31 12.358 -3.815 -2.974 1.00 0.22 C ATOM 480 CG LEU A 31 13.527 -2.829 -2.918 1.00 0.16 C ATOM 481 CD1 LEU A 31 13.417 -1.977 -1.652 1.00 0.16 C ATOM 482 CD2 LEU A 31 14.847 -3.604 -2.896 1.00 0.30 C ATOM 0 H LEU A 31 12.494 -2.793 -5.247 1.00 0.19 H new ATOM 0 HA LEU A 31 13.339 -5.329 -4.153 1.00 0.25 H new ATOM 0 HB2 LEU A 31 11.412 -3.274 -2.974 1.00 0.22 H new ATOM 0 HB3 LEU A 31 12.362 -4.451 -2.089 1.00 0.22 H new ATOM 0 HG LEU A 31 13.498 -2.182 -3.795 1.00 0.16 H new ATOM 0 HD11 LEU A 31 14.250 -1.275 -1.612 1.00 0.16 H new ATOM 0 HD12 LEU A 31 12.477 -1.425 -1.665 1.00 0.16 H new ATOM 0 HD13 LEU A 31 13.445 -2.623 -0.775 1.00 0.16 H new ATOM 0 HD21 LEU A 31 15.680 -2.902 -2.856 1.00 0.30 H new ATOM 0 HD22 LEU A 31 14.875 -4.251 -2.019 1.00 0.30 H new ATOM 0 HD23 LEU A 31 14.927 -4.212 -3.797 1.00 0.30 H new ATOM 494 N THR A 32 11.316 -6.804 -4.225 1.00 0.09 N ATOM 495 CA THR A 32 10.118 -7.679 -4.370 1.00 0.09 C ATOM 496 C THR A 32 9.375 -7.752 -3.035 1.00 0.09 C ATOM 497 O THR A 32 9.937 -8.117 -2.020 1.00 0.12 O ATOM 498 CB THR A 32 10.560 -9.084 -4.787 1.00 0.14 C ATOM 499 OG1 THR A 32 11.801 -9.391 -4.167 1.00 0.28 O ATOM 500 CG2 THR A 32 10.717 -9.142 -6.307 1.00 0.56 C ATOM 0 H THR A 32 12.182 -7.289 -3.990 1.00 0.09 H new ATOM 0 HA THR A 32 9.456 -7.266 -5.131 1.00 0.09 H new ATOM 0 HB THR A 32 9.809 -9.810 -4.475 1.00 0.14 H new ATOM 0 HG1 THR A 32 12.085 -10.291 -4.431 1.00 0.28 H new ATOM 0 HG21 THR A 32 11.032 -10.143 -6.602 1.00 0.56 H new ATOM 0 HG22 THR A 32 9.764 -8.907 -6.780 1.00 0.56 H new ATOM 0 HG23 THR A 32 11.468 -8.418 -6.623 1.00 0.56 H new ATOM 508 N VAL A 33 8.117 -7.409 -3.025 1.00 0.09 N ATOM 509 CA VAL A 33 7.339 -7.459 -1.754 1.00 0.09 C ATOM 510 C VAL A 33 6.647 -8.818 -1.634 1.00 0.15 C ATOM 511 O VAL A 33 6.769 -9.666 -2.496 1.00 0.27 O ATOM 512 CB VAL A 33 6.287 -6.349 -1.756 1.00 0.13 C ATOM 513 CG1 VAL A 33 6.873 -5.088 -2.394 1.00 0.34 C ATOM 514 CG2 VAL A 33 5.068 -6.806 -2.560 1.00 0.35 C ATOM 0 H VAL A 33 7.593 -7.096 -3.842 1.00 0.09 H new ATOM 0 HA VAL A 33 8.013 -7.318 -0.909 1.00 0.09 H new ATOM 0 HB VAL A 33 5.988 -6.131 -0.731 1.00 0.13 H new ATOM 0 HG11 VAL A 33 6.122 -4.298 -2.395 1.00 0.34 H new ATOM 0 HG12 VAL A 33 7.742 -4.762 -1.823 1.00 0.34 H new ATOM 0 HG13 VAL A 33 7.173 -5.305 -3.419 1.00 0.34 H new ATOM 0 HG21 VAL A 33 4.317 -6.016 -2.563 1.00 0.35 H new ATOM 0 HG22 VAL A 33 5.369 -7.024 -3.585 1.00 0.35 H new ATOM 0 HG23 VAL A 33 4.649 -7.704 -2.106 1.00 0.35 H new ATOM 524 N THR A 34 5.922 -9.031 -0.571 1.00 0.15 N ATOM 525 CA THR A 34 5.222 -10.336 -0.396 1.00 0.23 C ATOM 526 C THR A 34 3.801 -10.232 -0.953 1.00 0.31 C ATOM 527 O THR A 34 2.948 -9.580 -0.387 1.00 0.63 O ATOM 528 CB THR A 34 5.162 -10.685 1.093 1.00 0.28 C ATOM 529 OG1 THR A 34 6.478 -10.704 1.628 1.00 0.41 O ATOM 530 CG2 THR A 34 4.517 -12.060 1.271 1.00 0.49 C ATOM 0 H THR A 34 5.784 -8.359 0.184 1.00 0.15 H new ATOM 0 HA THR A 34 5.765 -11.115 -0.931 1.00 0.23 H new ATOM 0 HB THR A 34 4.568 -9.937 1.618 1.00 0.28 H new ATOM 0 HG1 THR A 34 6.440 -10.926 2.582 1.00 0.41 H new ATOM 0 HG21 THR A 34 4.475 -12.308 2.332 1.00 0.49 H new ATOM 0 HG22 THR A 34 3.507 -12.044 0.862 1.00 0.49 H new ATOM 0 HG23 THR A 34 5.109 -12.810 0.747 1.00 0.49 H new ATOM 538 N ASP A 35 3.540 -10.872 -2.061 1.00 0.17 N ATOM 539 CA ASP A 35 2.175 -10.811 -2.654 1.00 0.18 C ATOM 540 C ASP A 35 1.156 -11.335 -1.640 1.00 0.25 C ATOM 541 O ASP A 35 1.501 -12.026 -0.702 1.00 0.47 O ATOM 542 CB ASP A 35 2.129 -11.673 -3.917 1.00 0.17 C ATOM 543 CG ASP A 35 0.946 -11.243 -4.787 1.00 0.18 C ATOM 544 OD1 ASP A 35 0.170 -10.418 -4.332 1.00 1.15 O ATOM 545 OD2 ASP A 35 0.836 -11.745 -5.894 1.00 0.86 O ATOM 0 H ASP A 35 4.214 -11.434 -2.581 1.00 0.17 H new ATOM 0 HA ASP A 35 1.935 -9.779 -2.910 1.00 0.18 H new ATOM 0 HB2 ASP A 35 3.060 -11.570 -4.474 1.00 0.17 H new ATOM 0 HB3 ASP A 35 2.033 -12.725 -3.649 1.00 0.17 H new ATOM 550 N ILE A 36 -0.097 -11.009 -1.822 1.00 0.17 N ATOM 551 CA ILE A 36 -1.145 -11.484 -0.871 1.00 0.24 C ATOM 552 C ILE A 36 -2.400 -11.884 -1.651 1.00 0.19 C ATOM 553 O ILE A 36 -3.404 -12.254 -1.076 1.00 0.57 O ATOM 554 CB ILE A 36 -1.490 -10.361 0.107 1.00 0.41 C ATOM 555 CG1 ILE A 36 -2.367 -9.323 -0.599 1.00 0.60 C ATOM 556 CG2 ILE A 36 -0.204 -9.692 0.594 1.00 0.31 C ATOM 557 CD1 ILE A 36 -2.325 -8.005 0.177 1.00 0.57 C ATOM 0 H ILE A 36 -0.440 -10.433 -2.590 1.00 0.17 H new ATOM 0 HA ILE A 36 -0.771 -12.346 -0.319 1.00 0.24 H new ATOM 0 HB ILE A 36 -2.028 -10.776 0.959 1.00 0.41 H new ATOM 0 HG12 ILE A 36 -2.015 -9.168 -1.619 1.00 0.60 H new ATOM 0 HG13 ILE A 36 -3.393 -9.684 -0.667 1.00 0.60 H new ATOM 0 HG21 ILE A 36 -0.452 -8.892 1.291 1.00 0.31 H new ATOM 0 HG22 ILE A 36 0.422 -10.430 1.096 1.00 0.31 H new ATOM 0 HG23 ILE A 36 0.335 -9.277 -0.258 1.00 0.31 H new ATOM 0 HD11 ILE A 36 -2.949 -7.267 -0.326 1.00 0.57 H new ATOM 0 HD12 ILE A 36 -2.697 -8.166 1.189 1.00 0.57 H new ATOM 0 HD13 ILE A 36 -1.298 -7.642 0.222 1.00 0.57 H new ATOM 569 N PHE A 37 -2.351 -11.813 -2.954 1.00 0.54 N ATOM 570 CA PHE A 37 -3.540 -12.189 -3.770 1.00 0.44 C ATOM 571 C PHE A 37 -3.403 -13.641 -4.232 1.00 0.57 C ATOM 572 O PHE A 37 -4.363 -14.268 -4.635 1.00 0.71 O ATOM 573 CB PHE A 37 -3.630 -11.271 -4.990 1.00 0.57 C ATOM 574 CG PHE A 37 -3.863 -9.851 -4.534 1.00 0.50 C ATOM 575 CD1 PHE A 37 -5.140 -9.449 -4.122 1.00 0.62 C ATOM 576 CD2 PHE A 37 -2.804 -8.936 -4.523 1.00 0.46 C ATOM 577 CE1 PHE A 37 -5.356 -8.133 -3.698 1.00 0.69 C ATOM 578 CE2 PHE A 37 -3.020 -7.619 -4.100 1.00 0.42 C ATOM 579 CZ PHE A 37 -4.296 -7.217 -3.687 1.00 0.56 C ATOM 0 H PHE A 37 -1.537 -11.510 -3.489 1.00 0.54 H new ATOM 0 HA PHE A 37 -4.443 -12.084 -3.168 1.00 0.44 H new ATOM 0 HB2 PHE A 37 -2.711 -11.331 -5.573 1.00 0.57 H new ATOM 0 HB3 PHE A 37 -4.442 -11.593 -5.642 1.00 0.57 H new ATOM 0 HD1 PHE A 37 -5.958 -10.154 -4.132 1.00 0.62 H new ATOM 0 HD2 PHE A 37 -1.820 -9.246 -4.841 1.00 0.46 H new ATOM 0 HE1 PHE A 37 -6.340 -7.823 -3.379 1.00 0.69 H new ATOM 0 HE2 PHE A 37 -2.203 -6.913 -4.092 1.00 0.42 H new ATOM 0 HZ PHE A 37 -4.463 -6.201 -3.360 1.00 0.56 H new ATOM 589 N ALA A 38 -2.217 -14.182 -4.178 1.00 0.63 N ATOM 590 CA ALA A 38 -2.020 -15.592 -4.615 1.00 0.81 C ATOM 591 C ALA A 38 -2.523 -16.539 -3.523 1.00 0.77 C ATOM 592 O ALA A 38 -2.053 -17.652 -3.389 1.00 0.94 O ATOM 593 CB ALA A 38 -0.531 -15.845 -4.864 1.00 0.96 C ATOM 0 H ALA A 38 -1.376 -13.708 -3.850 1.00 0.63 H new ATOM 0 HA ALA A 38 -2.578 -15.769 -5.535 1.00 0.81 H new ATOM 0 HB1 ALA A 38 -0.386 -16.877 -5.184 1.00 0.96 H new ATOM 0 HB2 ALA A 38 -0.172 -15.170 -5.641 1.00 0.96 H new ATOM 0 HB3 ALA A 38 0.027 -15.668 -3.944 1.00 0.96 H new ATOM 599 N ALA A 39 -3.475 -16.107 -2.743 1.00 0.69 N ATOM 600 CA ALA A 39 -4.007 -16.983 -1.661 1.00 0.72 C ATOM 601 C ALA A 39 -5.491 -16.684 -1.446 1.00 0.83 C ATOM 602 O ALA A 39 -6.094 -17.137 -0.493 1.00 1.37 O ATOM 603 CB ALA A 39 -3.240 -16.714 -0.365 1.00 1.08 C ATOM 0 H ALA A 39 -3.908 -15.186 -2.808 1.00 0.69 H new ATOM 0 HA ALA A 39 -3.885 -18.028 -1.946 1.00 0.72 H new ATOM 0 HB1 ALA A 39 -3.628 -17.354 0.427 1.00 1.08 H new ATOM 0 HB2 ALA A 39 -2.182 -16.927 -0.518 1.00 1.08 H new ATOM 0 HB3 ALA A 39 -3.363 -15.669 -0.080 1.00 1.08 H new ATOM 609 N SER A 40 -6.087 -15.924 -2.325 1.00 0.54 N ATOM 610 CA SER A 40 -7.533 -15.598 -2.170 1.00 0.98 C ATOM 611 C SER A 40 -8.341 -16.892 -2.074 1.00 0.76 C ATOM 612 O SER A 40 -8.546 -17.581 -3.054 1.00 1.15 O ATOM 613 CB SER A 40 -8.004 -14.791 -3.380 1.00 1.63 C ATOM 614 OG SER A 40 -9.407 -14.961 -3.539 1.00 2.58 O ATOM 0 H SER A 40 -5.635 -15.515 -3.143 1.00 0.54 H new ATOM 0 HA SER A 40 -7.679 -15.012 -1.262 1.00 0.98 H new ATOM 0 HB2 SER A 40 -7.767 -13.736 -3.243 1.00 1.63 H new ATOM 0 HB3 SER A 40 -7.482 -15.121 -4.278 1.00 1.63 H new ATOM 0 HG SER A 40 -9.714 -14.444 -4.313 1.00 2.58 H new ATOM 620 N LYS A 41 -8.800 -17.230 -0.899 1.00 0.50 N ATOM 621 CA LYS A 41 -9.596 -18.480 -0.738 1.00 0.46 C ATOM 622 C LYS A 41 -10.674 -18.263 0.326 1.00 0.60 C ATOM 623 O LYS A 41 -11.780 -17.854 0.028 1.00 0.71 O ATOM 624 CB LYS A 41 -8.672 -19.620 -0.301 1.00 0.36 C ATOM 625 CG LYS A 41 -8.219 -20.410 -1.530 1.00 0.76 C ATOM 626 CD LYS A 41 -7.041 -21.310 -1.154 1.00 0.49 C ATOM 627 CE LYS A 41 -7.433 -22.200 0.028 1.00 2.01 C ATOM 628 NZ LYS A 41 -8.828 -22.690 -0.161 1.00 3.43 N ATOM 0 H LYS A 41 -8.658 -16.694 -0.043 1.00 0.50 H new ATOM 0 HA LYS A 41 -10.067 -18.736 -1.687 1.00 0.46 H new ATOM 0 HB2 LYS A 41 -7.806 -19.219 0.226 1.00 0.36 H new ATOM 0 HB3 LYS A 41 -9.192 -20.277 0.395 1.00 0.36 H new ATOM 0 HG2 LYS A 41 -9.043 -21.013 -1.912 1.00 0.76 H new ATOM 0 HG3 LYS A 41 -7.928 -19.726 -2.328 1.00 0.76 H new ATOM 0 HD2 LYS A 41 -6.754 -21.926 -2.006 1.00 0.49 H new ATOM 0 HD3 LYS A 41 -6.174 -20.702 -0.893 1.00 0.49 H new ATOM 0 HE2 LYS A 41 -6.747 -23.044 0.105 1.00 2.01 H new ATOM 0 HE3 LYS A 41 -7.356 -21.640 0.960 1.00 2.01 H new ATOM 0 HZ1 LYS A 41 -8.933 -23.622 0.289 1.00 3.43 H new ATOM 0 HZ2 LYS A 41 -9.493 -22.019 0.273 1.00 3.43 H new ATOM 0 HZ3 LYS A 41 -9.033 -22.772 -1.177 1.00 3.43 H new ATOM 642 N ASP A 42 -10.364 -18.534 1.564 1.00 0.70 N ATOM 643 CA ASP A 42 -11.372 -18.342 2.645 1.00 0.90 C ATOM 644 C ASP A 42 -11.218 -16.942 3.242 1.00 0.77 C ATOM 645 O ASP A 42 -11.908 -16.574 4.173 1.00 0.81 O ATOM 646 CB ASP A 42 -11.152 -19.390 3.738 1.00 1.06 C ATOM 647 CG ASP A 42 -12.486 -19.706 4.418 1.00 1.61 C ATOM 648 OD1 ASP A 42 -13.413 -20.076 3.716 1.00 1.99 O ATOM 649 OD2 ASP A 42 -12.558 -19.574 5.628 1.00 2.84 O ATOM 0 H ASP A 42 -9.456 -18.880 1.874 1.00 0.70 H new ATOM 0 HA ASP A 42 -12.375 -18.452 2.232 1.00 0.90 H new ATOM 0 HB2 ASP A 42 -10.728 -20.297 3.307 1.00 1.06 H new ATOM 0 HB3 ASP A 42 -10.436 -19.021 4.472 1.00 1.06 H new ATOM 654 N THR A 43 -10.320 -16.157 2.714 1.00 0.62 N ATOM 655 CA THR A 43 -10.123 -14.781 3.251 1.00 0.49 C ATOM 656 C THR A 43 -11.175 -13.845 2.654 1.00 0.56 C ATOM 657 O THR A 43 -12.006 -14.251 1.866 1.00 1.26 O ATOM 658 CB THR A 43 -8.724 -14.284 2.878 1.00 0.39 C ATOM 659 OG1 THR A 43 -8.570 -14.326 1.467 1.00 0.42 O ATOM 660 CG2 THR A 43 -7.670 -15.174 3.536 1.00 0.44 C ATOM 0 H THR A 43 -9.714 -16.409 1.933 1.00 0.62 H new ATOM 0 HA THR A 43 -10.225 -14.795 4.336 1.00 0.49 H new ATOM 0 HB THR A 43 -8.597 -13.259 3.228 1.00 0.39 H new ATOM 0 HG1 THR A 43 -7.675 -14.007 1.226 1.00 0.42 H new ATOM 0 HG21 THR A 43 -6.675 -14.818 3.269 1.00 0.44 H new ATOM 0 HG22 THR A 43 -7.789 -15.139 4.619 1.00 0.44 H new ATOM 0 HG23 THR A 43 -7.793 -16.200 3.190 1.00 0.44 H new ATOM 668 N THR A 44 -11.145 -12.593 3.021 1.00 0.60 N ATOM 669 CA THR A 44 -12.142 -11.631 2.474 1.00 0.58 C ATOM 670 C THR A 44 -11.498 -10.251 2.338 1.00 0.42 C ATOM 671 O THR A 44 -10.381 -10.032 2.763 1.00 0.42 O ATOM 672 CB THR A 44 -13.340 -11.543 3.423 1.00 0.59 C ATOM 673 OG1 THR A 44 -12.955 -12.001 4.711 1.00 1.04 O ATOM 674 CG2 THR A 44 -14.480 -12.412 2.890 1.00 1.16 C ATOM 0 H THR A 44 -10.472 -12.195 3.676 1.00 0.60 H new ATOM 0 HA THR A 44 -12.478 -11.973 1.495 1.00 0.58 H new ATOM 0 HB THR A 44 -13.676 -10.508 3.490 1.00 0.59 H new ATOM 0 HG1 THR A 44 -13.720 -11.944 5.321 1.00 1.04 H new ATOM 0 HG21 THR A 44 -15.332 -12.349 3.566 1.00 1.16 H new ATOM 0 HG22 THR A 44 -14.774 -12.060 1.901 1.00 1.16 H new ATOM 0 HG23 THR A 44 -14.147 -13.448 2.822 1.00 1.16 H new ATOM 682 N GLU A 45 -12.192 -9.316 1.748 1.00 0.54 N ATOM 683 CA GLU A 45 -11.619 -7.951 1.586 1.00 0.37 C ATOM 684 C GLU A 45 -11.015 -7.489 2.914 1.00 0.28 C ATOM 685 O GLU A 45 -9.936 -6.932 2.956 1.00 0.25 O ATOM 686 CB GLU A 45 -12.724 -6.979 1.163 1.00 0.34 C ATOM 687 CG GLU A 45 -13.766 -7.724 0.326 1.00 0.48 C ATOM 688 CD GLU A 45 -14.810 -8.352 1.250 1.00 1.29 C ATOM 689 OE1 GLU A 45 -14.496 -8.564 2.410 1.00 2.43 O ATOM 690 OE2 GLU A 45 -15.907 -8.611 0.783 1.00 1.71 O ATOM 0 H GLU A 45 -13.132 -9.439 1.371 1.00 0.54 H new ATOM 0 HA GLU A 45 -10.842 -7.973 0.822 1.00 0.37 H new ATOM 0 HB2 GLU A 45 -13.195 -6.541 2.043 1.00 0.34 H new ATOM 0 HB3 GLU A 45 -12.299 -6.157 0.587 1.00 0.34 H new ATOM 0 HG2 GLU A 45 -14.247 -7.037 -0.370 1.00 0.48 H new ATOM 0 HG3 GLU A 45 -13.283 -8.497 -0.272 1.00 0.48 H new ATOM 697 N LYS A 46 -11.702 -7.719 4.000 1.00 0.28 N ATOM 698 CA LYS A 46 -11.167 -7.293 5.324 1.00 0.25 C ATOM 699 C LYS A 46 -9.746 -7.835 5.497 1.00 0.16 C ATOM 700 O LYS A 46 -8.795 -7.087 5.611 1.00 0.13 O ATOM 701 CB LYS A 46 -12.062 -7.842 6.436 1.00 0.37 C ATOM 702 CG LYS A 46 -13.398 -7.097 6.432 1.00 0.40 C ATOM 703 CD LYS A 46 -13.457 -6.144 7.627 1.00 0.30 C ATOM 704 CE LYS A 46 -14.692 -5.251 7.509 1.00 0.87 C ATOM 705 NZ LYS A 46 -15.694 -5.904 6.619 1.00 2.08 N ATOM 0 H LYS A 46 -12.610 -8.183 4.027 1.00 0.28 H new ATOM 0 HA LYS A 46 -11.150 -6.204 5.377 1.00 0.25 H new ATOM 0 HB2 LYS A 46 -12.228 -8.909 6.290 1.00 0.37 H new ATOM 0 HB3 LYS A 46 -11.572 -7.726 7.403 1.00 0.37 H new ATOM 0 HG2 LYS A 46 -13.512 -6.539 5.503 1.00 0.40 H new ATOM 0 HG3 LYS A 46 -14.223 -7.808 6.480 1.00 0.40 H new ATOM 0 HD2 LYS A 46 -13.494 -6.712 8.557 1.00 0.30 H new ATOM 0 HD3 LYS A 46 -12.555 -5.532 7.662 1.00 0.30 H new ATOM 0 HE2 LYS A 46 -15.124 -5.077 8.495 1.00 0.87 H new ATOM 0 HE3 LYS A 46 -14.413 -4.277 7.107 1.00 0.87 H new ATOM 0 HZ1 LYS A 46 -16.584 -5.367 6.645 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 -15.331 -5.926 5.645 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 -15.867 -6.876 6.946 1.00 2.08 H new ATOM 719 N GLU A 47 -9.594 -9.131 5.519 1.00 0.14 N ATOM 720 CA GLU A 47 -8.236 -9.720 5.686 1.00 0.07 C ATOM 721 C GLU A 47 -7.343 -9.279 4.525 1.00 0.07 C ATOM 722 O GLU A 47 -6.135 -9.220 4.645 1.00 0.12 O ATOM 723 CB GLU A 47 -8.340 -11.247 5.697 1.00 0.12 C ATOM 724 CG GLU A 47 -9.071 -11.699 6.963 1.00 0.12 C ATOM 725 CD GLU A 47 -8.111 -12.491 7.852 1.00 0.97 C ATOM 726 OE1 GLU A 47 -7.992 -13.687 7.644 1.00 1.47 O ATOM 727 OE2 GLU A 47 -7.512 -11.889 8.727 1.00 1.72 O ATOM 0 H GLU A 47 -10.352 -9.807 5.428 1.00 0.14 H new ATOM 0 HA GLU A 47 -7.805 -9.378 6.627 1.00 0.07 H new ATOM 0 HB2 GLU A 47 -8.875 -11.592 4.812 1.00 0.12 H new ATOM 0 HB3 GLU A 47 -7.345 -11.690 5.661 1.00 0.12 H new ATOM 0 HG2 GLU A 47 -9.453 -10.833 7.504 1.00 0.12 H new ATOM 0 HG3 GLU A 47 -9.931 -12.315 6.699 1.00 0.12 H new ATOM 734 N THR A 48 -7.926 -8.969 3.399 1.00 0.19 N ATOM 735 CA THR A 48 -7.109 -8.531 2.232 1.00 0.19 C ATOM 736 C THR A 48 -6.414 -7.209 2.563 1.00 0.17 C ATOM 737 O THR A 48 -5.217 -7.070 2.403 1.00 0.16 O ATOM 738 CB THR A 48 -8.019 -8.338 1.016 1.00 0.21 C ATOM 739 OG1 THR A 48 -8.970 -9.393 0.967 1.00 0.16 O ATOM 740 CG2 THR A 48 -7.176 -8.350 -0.261 1.00 0.28 C ATOM 0 H THR A 48 -8.933 -9.000 3.237 1.00 0.19 H new ATOM 0 HA THR A 48 -6.359 -9.290 2.008 1.00 0.19 H new ATOM 0 HB THR A 48 -8.538 -7.383 1.097 1.00 0.21 H new ATOM 0 HG1 THR A 48 -9.335 -9.547 1.864 1.00 0.16 H new ATOM 0 HG21 THR A 48 -7.824 -8.213 -1.126 1.00 0.28 H new ATOM 0 HG22 THR A 48 -6.446 -7.542 -0.223 1.00 0.28 H new ATOM 0 HG23 THR A 48 -6.656 -9.304 -0.345 1.00 0.28 H new ATOM 748 N PHE A 49 -7.152 -6.237 3.022 1.00 0.16 N ATOM 749 CA PHE A 49 -6.531 -4.927 3.363 1.00 0.15 C ATOM 750 C PHE A 49 -5.482 -5.129 4.457 1.00 0.15 C ATOM 751 O PHE A 49 -4.448 -4.490 4.465 1.00 0.22 O ATOM 752 CB PHE A 49 -7.610 -3.963 3.862 1.00 0.16 C ATOM 753 CG PHE A 49 -8.623 -3.729 2.766 1.00 0.13 C ATOM 754 CD1 PHE A 49 -8.253 -3.033 1.609 1.00 0.10 C ATOM 755 CD2 PHE A 49 -9.932 -4.208 2.905 1.00 0.16 C ATOM 756 CE1 PHE A 49 -9.190 -2.814 0.592 1.00 0.09 C ATOM 757 CE2 PHE A 49 -10.870 -3.990 1.888 1.00 0.15 C ATOM 758 CZ PHE A 49 -10.498 -3.293 0.732 1.00 0.11 C ATOM 0 H PHE A 49 -8.159 -6.293 3.176 1.00 0.16 H new ATOM 0 HA PHE A 49 -6.055 -4.510 2.476 1.00 0.15 H new ATOM 0 HB2 PHE A 49 -8.101 -4.375 4.744 1.00 0.16 H new ATOM 0 HB3 PHE A 49 -7.158 -3.018 4.162 1.00 0.16 H new ATOM 0 HD1 PHE A 49 -7.244 -2.665 1.501 1.00 0.10 H new ATOM 0 HD2 PHE A 49 -10.218 -4.746 3.797 1.00 0.16 H new ATOM 0 HE1 PHE A 49 -8.904 -2.276 -0.300 1.00 0.09 H new ATOM 0 HE2 PHE A 49 -11.879 -4.359 1.995 1.00 0.15 H new ATOM 0 HZ PHE A 49 -11.221 -3.125 -0.053 1.00 0.11 H new ATOM 768 N CYS A 50 -5.739 -6.012 5.384 1.00 0.09 N ATOM 769 CA CYS A 50 -4.755 -6.253 6.476 1.00 0.09 C ATOM 770 C CYS A 50 -3.460 -6.810 5.883 1.00 0.09 C ATOM 771 O CYS A 50 -2.406 -6.218 6.001 1.00 0.09 O ATOM 772 CB CYS A 50 -5.333 -7.261 7.471 1.00 0.10 C ATOM 773 SG CYS A 50 -3.981 -8.154 8.277 1.00 0.25 S ATOM 0 H CYS A 50 -6.587 -6.576 5.432 1.00 0.09 H new ATOM 0 HA CYS A 50 -4.546 -5.314 6.989 1.00 0.09 H new ATOM 0 HB2 CYS A 50 -5.939 -6.746 8.217 1.00 0.10 H new ATOM 0 HB3 CYS A 50 -5.990 -7.962 6.955 1.00 0.10 H new ATOM 778 N ARG A 51 -3.530 -7.946 5.244 1.00 0.09 N ATOM 779 CA ARG A 51 -2.302 -8.541 4.644 1.00 0.09 C ATOM 780 C ARG A 51 -1.546 -7.467 3.860 1.00 0.07 C ATOM 781 O ARG A 51 -0.334 -7.395 3.895 1.00 0.10 O ATOM 782 CB ARG A 51 -2.696 -9.680 3.701 1.00 0.09 C ATOM 783 CG ARG A 51 -3.288 -10.834 4.513 1.00 0.12 C ATOM 784 CD ARG A 51 -3.623 -11.997 3.577 1.00 0.28 C ATOM 785 NE ARG A 51 -2.439 -12.895 3.457 1.00 1.04 N ATOM 786 CZ ARG A 51 -2.577 -14.094 2.961 1.00 1.26 C ATOM 787 NH1 ARG A 51 -3.752 -14.507 2.570 1.00 0.71 N ATOM 788 NH2 ARG A 51 -1.540 -14.879 2.855 1.00 2.15 N ATOM 0 H ARG A 51 -4.384 -8.488 5.112 1.00 0.09 H new ATOM 0 HA ARG A 51 -1.662 -8.930 5.436 1.00 0.09 H new ATOM 0 HB2 ARG A 51 -3.422 -9.326 2.970 1.00 0.09 H new ATOM 0 HB3 ARG A 51 -1.824 -10.023 3.144 1.00 0.09 H new ATOM 0 HG2 ARG A 51 -2.579 -11.159 5.274 1.00 0.12 H new ATOM 0 HG3 ARG A 51 -4.186 -10.503 5.035 1.00 0.12 H new ATOM 0 HD2 ARG A 51 -4.477 -12.553 3.962 1.00 0.28 H new ATOM 0 HD3 ARG A 51 -3.906 -11.618 2.595 1.00 0.28 H new ATOM 0 HE ARG A 51 -1.521 -12.572 3.763 1.00 1.04 H new ATOM 0 HH11 ARG A 51 -4.562 -13.892 2.652 1.00 0.71 H new ATOM 0 HH12 ARG A 51 -3.860 -15.444 2.182 1.00 0.71 H new ATOM 0 HH21 ARG A 51 -0.622 -14.555 3.160 1.00 2.15 H new ATOM 0 HH22 ARG A 51 -1.647 -15.816 2.467 1.00 2.15 H new ATOM 802 N ALA A 52 -2.254 -6.629 3.151 1.00 0.07 N ATOM 803 CA ALA A 52 -1.575 -5.560 2.367 1.00 0.11 C ATOM 804 C ALA A 52 -0.782 -4.658 3.315 1.00 0.13 C ATOM 805 O ALA A 52 0.387 -4.399 3.107 1.00 0.21 O ATOM 806 CB ALA A 52 -2.624 -4.725 1.628 1.00 0.13 C ATOM 0 H ALA A 52 -3.272 -6.639 3.082 1.00 0.07 H new ATOM 0 HA ALA A 52 -0.897 -6.014 1.645 1.00 0.11 H new ATOM 0 HB1 ALA A 52 -2.128 -3.942 1.054 1.00 0.13 H new ATOM 0 HB2 ALA A 52 -3.190 -5.367 0.953 1.00 0.13 H new ATOM 0 HB3 ALA A 52 -3.302 -4.271 2.350 1.00 0.13 H new ATOM 812 N ALA A 53 -1.407 -4.181 4.356 1.00 0.09 N ATOM 813 CA ALA A 53 -0.687 -3.298 5.316 1.00 0.12 C ATOM 814 C ALA A 53 0.527 -4.039 5.879 1.00 0.10 C ATOM 815 O ALA A 53 1.618 -3.508 5.941 1.00 0.09 O ATOM 816 CB ALA A 53 -1.627 -2.915 6.461 1.00 0.16 C ATOM 0 H ALA A 53 -2.384 -4.364 4.583 1.00 0.09 H new ATOM 0 HA ALA A 53 -0.355 -2.396 4.801 1.00 0.12 H new ATOM 0 HB1 ALA A 53 -1.100 -2.269 7.163 1.00 0.16 H new ATOM 0 HB2 ALA A 53 -2.492 -2.386 6.060 1.00 0.16 H new ATOM 0 HB3 ALA A 53 -1.959 -3.816 6.976 1.00 0.16 H new ATOM 822 N THR A 54 0.347 -5.266 6.289 1.00 0.09 N ATOM 823 CA THR A 54 1.492 -6.039 6.847 1.00 0.09 C ATOM 824 C THR A 54 2.696 -5.906 5.913 1.00 0.05 C ATOM 825 O THR A 54 3.813 -5.710 6.350 1.00 0.08 O ATOM 826 CB THR A 54 1.101 -7.513 6.969 1.00 0.08 C ATOM 827 OG1 THR A 54 -0.134 -7.618 7.664 1.00 0.10 O ATOM 828 CG2 THR A 54 2.186 -8.271 7.734 1.00 0.11 C ATOM 0 H THR A 54 -0.542 -5.765 6.261 1.00 0.09 H new ATOM 0 HA THR A 54 1.750 -5.650 7.832 1.00 0.09 H new ATOM 0 HB THR A 54 0.996 -7.944 5.973 1.00 0.08 H new ATOM 0 HG1 THR A 54 -0.387 -8.562 7.741 1.00 0.10 H new ATOM 0 HG21 THR A 54 1.905 -9.321 7.820 1.00 0.11 H new ATOM 0 HG22 THR A 54 3.132 -8.191 7.199 1.00 0.11 H new ATOM 0 HG23 THR A 54 2.296 -7.842 8.730 1.00 0.11 H new ATOM 836 N VAL A 55 2.479 -6.012 4.631 1.00 0.05 N ATOM 837 CA VAL A 55 3.611 -5.890 3.671 1.00 0.07 C ATOM 838 C VAL A 55 4.164 -4.464 3.715 1.00 0.08 C ATOM 839 O VAL A 55 5.314 -4.242 4.038 1.00 0.07 O ATOM 840 CB VAL A 55 3.117 -6.202 2.258 1.00 0.10 C ATOM 841 CG1 VAL A 55 4.299 -6.190 1.288 1.00 0.02 C ATOM 842 CG2 VAL A 55 2.460 -7.584 2.242 1.00 0.16 C ATOM 0 H VAL A 55 1.566 -6.178 4.207 1.00 0.05 H new ATOM 0 HA VAL A 55 4.397 -6.594 3.944 1.00 0.07 H new ATOM 0 HB VAL A 55 2.390 -5.449 1.954 1.00 0.10 H new ATOM 0 HG11 VAL A 55 3.946 -6.413 0.281 1.00 0.02 H new ATOM 0 HG12 VAL A 55 4.768 -5.206 1.299 1.00 0.02 H new ATOM 0 HG13 VAL A 55 5.027 -6.943 1.592 1.00 0.02 H new ATOM 0 HG21 VAL A 55 2.107 -7.808 1.235 1.00 0.16 H new ATOM 0 HG22 VAL A 55 3.187 -8.336 2.547 1.00 0.16 H new ATOM 0 HG23 VAL A 55 1.617 -7.594 2.932 1.00 0.16 H new ATOM 852 N LEU A 56 3.353 -3.493 3.393 1.00 0.11 N ATOM 853 CA LEU A 56 3.832 -2.083 3.419 1.00 0.13 C ATOM 854 C LEU A 56 4.572 -1.823 4.732 1.00 0.10 C ATOM 855 O LEU A 56 5.495 -1.035 4.790 1.00 0.09 O ATOM 856 CB LEU A 56 2.635 -1.133 3.310 1.00 0.18 C ATOM 857 CG LEU A 56 1.803 -1.496 2.079 1.00 0.26 C ATOM 858 CD1 LEU A 56 0.605 -0.551 1.976 1.00 0.29 C ATOM 859 CD2 LEU A 56 2.664 -1.362 0.820 1.00 0.24 C ATOM 0 H LEU A 56 2.380 -3.616 3.113 1.00 0.11 H new ATOM 0 HA LEU A 56 4.507 -1.912 2.580 1.00 0.13 H new ATOM 0 HB2 LEU A 56 2.022 -1.200 4.209 1.00 0.18 H new ATOM 0 HB3 LEU A 56 2.981 -0.102 3.236 1.00 0.18 H new ATOM 0 HG LEU A 56 1.451 -2.523 2.171 1.00 0.26 H new ATOM 0 HD11 LEU A 56 0.012 -0.810 1.099 1.00 0.29 H new ATOM 0 HD12 LEU A 56 -0.011 -0.645 2.871 1.00 0.29 H new ATOM 0 HD13 LEU A 56 0.959 0.476 1.885 1.00 0.29 H new ATOM 0 HD21 LEU A 56 2.070 -1.621 -0.056 1.00 0.24 H new ATOM 0 HD22 LEU A 56 3.017 -0.335 0.728 1.00 0.24 H new ATOM 0 HD23 LEU A 56 3.519 -2.035 0.890 1.00 0.24 H new ATOM 871 N ARG A 57 4.176 -2.479 5.787 1.00 0.09 N ATOM 872 CA ARG A 57 4.859 -2.267 7.094 1.00 0.10 C ATOM 873 C ARG A 57 6.321 -2.706 6.980 1.00 0.08 C ATOM 874 O ARG A 57 7.230 -1.911 7.106 1.00 0.08 O ATOM 875 CB ARG A 57 4.161 -3.095 8.175 1.00 0.14 C ATOM 876 CG ARG A 57 3.658 -2.168 9.283 1.00 0.52 C ATOM 877 CD ARG A 57 2.960 -2.997 10.364 1.00 0.62 C ATOM 878 NE ARG A 57 2.951 -2.235 11.645 1.00 1.32 N ATOM 879 CZ ARG A 57 2.162 -2.602 12.617 1.00 1.65 C ATOM 880 NH1 ARG A 57 1.382 -3.637 12.468 1.00 1.37 N ATOM 881 NH2 ARG A 57 2.153 -1.935 13.738 1.00 2.43 N ATOM 0 H ARG A 57 3.410 -3.152 5.801 1.00 0.09 H new ATOM 0 HA ARG A 57 4.815 -1.211 7.361 1.00 0.10 H new ATOM 0 HB2 ARG A 57 3.327 -3.648 7.743 1.00 0.14 H new ATOM 0 HB3 ARG A 57 4.852 -3.831 8.587 1.00 0.14 H new ATOM 0 HG2 ARG A 57 4.492 -1.615 9.715 1.00 0.52 H new ATOM 0 HG3 ARG A 57 2.967 -1.433 8.871 1.00 0.52 H new ATOM 0 HD2 ARG A 57 1.939 -3.228 10.058 1.00 0.62 H new ATOM 0 HD3 ARG A 57 3.475 -3.948 10.498 1.00 0.62 H new ATOM 0 HE ARG A 57 3.562 -1.426 11.762 1.00 1.32 H new ATOM 0 HH11 ARG A 57 1.389 -4.159 11.592 1.00 1.37 H new ATOM 0 HH12 ARG A 57 0.765 -3.924 13.228 1.00 1.37 H new ATOM 0 HH21 ARG A 57 2.763 -1.126 13.855 1.00 2.43 H new ATOM 0 HH22 ARG A 57 1.536 -2.222 14.498 1.00 2.43 H new ATOM 895 N GLN A 58 6.553 -3.968 6.742 1.00 0.09 N ATOM 896 CA GLN A 58 7.955 -4.458 6.620 1.00 0.14 C ATOM 897 C GLN A 58 8.601 -3.861 5.367 1.00 0.15 C ATOM 898 O GLN A 58 9.747 -4.125 5.064 1.00 0.23 O ATOM 899 CB GLN A 58 7.953 -5.985 6.515 1.00 0.14 C ATOM 900 CG GLN A 58 7.025 -6.418 5.379 1.00 0.11 C ATOM 901 CD GLN A 58 7.061 -7.941 5.243 1.00 0.53 C ATOM 902 OE1 GLN A 58 6.804 -8.474 4.181 1.00 1.19 O ATOM 903 NE2 GLN A 58 7.373 -8.670 6.279 1.00 1.61 N ATOM 0 H GLN A 58 5.832 -4.681 6.627 1.00 0.09 H new ATOM 0 HA GLN A 58 8.523 -4.154 7.499 1.00 0.14 H new ATOM 0 HB2 GLN A 58 8.964 -6.349 6.331 1.00 0.14 H new ATOM 0 HB3 GLN A 58 7.622 -6.424 7.456 1.00 0.14 H new ATOM 0 HG2 GLN A 58 6.007 -6.084 5.580 1.00 0.11 H new ATOM 0 HG3 GLN A 58 7.335 -5.951 4.444 1.00 0.11 H new ATOM 0 HE21 GLN A 58 7.589 -8.224 7.170 1.00 1.61 H new ATOM 0 HE22 GLN A 58 7.401 -9.686 6.198 1.00 1.61 H new ATOM 912 N PHE A 59 7.875 -3.062 4.636 1.00 0.10 N ATOM 913 CA PHE A 59 8.451 -2.454 3.403 1.00 0.16 C ATOM 914 C PHE A 59 9.220 -1.181 3.765 1.00 0.14 C ATOM 915 O PHE A 59 10.429 -1.127 3.668 1.00 0.27 O ATOM 916 CB PHE A 59 7.325 -2.108 2.427 1.00 0.18 C ATOM 917 CG PHE A 59 7.917 -1.725 1.091 1.00 0.24 C ATOM 918 CD1 PHE A 59 8.271 -2.719 0.172 1.00 0.35 C ATOM 919 CD2 PHE A 59 8.112 -0.376 0.775 1.00 0.22 C ATOM 920 CE1 PHE A 59 8.821 -2.364 -1.066 1.00 0.44 C ATOM 921 CE2 PHE A 59 8.662 -0.020 -0.463 1.00 0.30 C ATOM 922 CZ PHE A 59 9.016 -1.014 -1.384 1.00 0.42 C ATOM 0 H PHE A 59 6.909 -2.804 4.838 1.00 0.10 H new ATOM 0 HA PHE A 59 9.131 -3.167 2.936 1.00 0.16 H new ATOM 0 HB2 PHE A 59 6.656 -2.961 2.310 1.00 0.18 H new ATOM 0 HB3 PHE A 59 6.727 -1.286 2.821 1.00 0.18 H new ATOM 0 HD1 PHE A 59 8.120 -3.760 0.417 1.00 0.35 H new ATOM 0 HD2 PHE A 59 7.839 0.390 1.485 1.00 0.22 H new ATOM 0 HE1 PHE A 59 9.095 -3.131 -1.775 1.00 0.44 H new ATOM 0 HE2 PHE A 59 8.813 1.021 -0.707 1.00 0.30 H new ATOM 0 HZ PHE A 59 9.439 -0.740 -2.339 1.00 0.42 H new ATOM 932 N TYR A 60 8.529 -0.154 4.179 1.00 0.03 N ATOM 933 CA TYR A 60 9.223 1.115 4.539 1.00 0.06 C ATOM 934 C TYR A 60 9.863 0.981 5.922 1.00 0.13 C ATOM 935 O TYR A 60 10.568 1.859 6.376 1.00 0.19 O ATOM 936 CB TYR A 60 8.213 2.266 4.552 1.00 0.10 C ATOM 937 CG TYR A 60 7.189 2.031 5.637 1.00 0.15 C ATOM 938 CD1 TYR A 60 7.492 2.345 6.968 1.00 0.19 C ATOM 939 CD2 TYR A 60 5.937 1.499 5.312 1.00 0.16 C ATOM 940 CE1 TYR A 60 6.542 2.127 7.972 1.00 0.23 C ATOM 941 CE2 TYR A 60 4.986 1.280 6.317 1.00 0.20 C ATOM 942 CZ TYR A 60 5.289 1.595 7.647 1.00 0.23 C ATOM 943 OH TYR A 60 4.352 1.379 8.637 1.00 0.28 O ATOM 0 H TYR A 60 7.514 -0.139 4.283 1.00 0.03 H new ATOM 0 HA TYR A 60 9.999 1.321 3.802 1.00 0.06 H new ATOM 0 HB2 TYR A 60 8.727 3.212 4.722 1.00 0.10 H new ATOM 0 HB3 TYR A 60 7.720 2.341 3.583 1.00 0.10 H new ATOM 0 HD1 TYR A 60 8.459 2.755 7.219 1.00 0.19 H new ATOM 0 HD2 TYR A 60 5.703 1.257 4.286 1.00 0.16 H new ATOM 0 HE1 TYR A 60 6.776 2.369 8.998 1.00 0.23 H new ATOM 0 HE2 TYR A 60 4.020 0.868 6.066 1.00 0.20 H new ATOM 0 HH TYR A 60 3.456 1.363 8.241 1.00 0.28 H new ATOM 953 N SER A 61 9.623 -0.109 6.599 1.00 0.12 N ATOM 954 CA SER A 61 10.221 -0.289 7.952 1.00 0.20 C ATOM 955 C SER A 61 11.563 -1.013 7.827 1.00 0.27 C ATOM 956 O SER A 61 12.511 -0.707 8.523 1.00 0.38 O ATOM 957 CB SER A 61 9.276 -1.117 8.823 1.00 0.13 C ATOM 958 OG SER A 61 7.997 -0.497 8.847 1.00 0.17 O ATOM 0 H SER A 61 9.040 -0.881 6.274 1.00 0.12 H new ATOM 0 HA SER A 61 10.376 0.688 8.411 1.00 0.20 H new ATOM 0 HB2 SER A 61 9.195 -2.130 8.430 1.00 0.13 H new ATOM 0 HB3 SER A 61 9.673 -1.198 9.835 1.00 0.13 H new ATOM 0 HG SER A 61 7.522 -0.694 8.013 1.00 0.17 H new ATOM 964 N HIS A 62 11.652 -1.972 6.947 1.00 0.26 N ATOM 965 CA HIS A 62 12.934 -2.715 6.782 1.00 0.38 C ATOM 966 C HIS A 62 13.798 -2.020 5.727 1.00 0.40 C ATOM 967 O HIS A 62 15.009 -2.003 5.819 1.00 0.51 O ATOM 968 CB HIS A 62 12.638 -4.148 6.335 1.00 0.44 C ATOM 969 CG HIS A 62 11.830 -4.847 7.393 1.00 0.78 C ATOM 970 ND1 HIS A 62 11.319 -4.179 8.494 1.00 1.14 N ATOM 971 CD2 HIS A 62 11.438 -6.156 7.533 1.00 1.58 C ATOM 972 CE1 HIS A 62 10.655 -5.079 9.243 1.00 1.39 C ATOM 973 NE2 HIS A 62 10.696 -6.300 8.701 1.00 1.58 N ATOM 0 H HIS A 62 10.893 -2.273 6.335 1.00 0.26 H new ATOM 0 HA HIS A 62 13.468 -2.732 7.732 1.00 0.38 H new ATOM 0 HB2 HIS A 62 12.092 -4.140 5.391 1.00 0.44 H new ATOM 0 HB3 HIS A 62 13.570 -4.685 6.160 1.00 0.44 H new ATOM 0 HD2 HIS A 62 11.670 -6.952 6.841 1.00 1.58 H new ATOM 0 HE1 HIS A 62 10.151 -4.843 10.169 1.00 1.39 H new ATOM 0 HE2 HIS A 62 10.274 -7.154 9.065 1.00 1.58 H new ATOM 981 N HIS A 63 13.186 -1.450 4.726 1.00 0.31 N ATOM 982 CA HIS A 63 13.977 -0.760 3.667 1.00 0.31 C ATOM 983 C HIS A 63 14.493 0.578 4.200 1.00 0.31 C ATOM 984 O HIS A 63 15.668 0.874 4.123 1.00 0.36 O ATOM 985 CB HIS A 63 13.088 -0.514 2.445 1.00 0.25 C ATOM 986 CG HIS A 63 12.622 -1.832 1.891 1.00 0.33 C ATOM 987 ND1 HIS A 63 13.466 -2.924 1.774 1.00 0.49 N ATOM 988 CD2 HIS A 63 11.402 -2.248 1.416 1.00 0.46 C ATOM 989 CE1 HIS A 63 12.751 -3.936 1.250 1.00 0.59 C ATOM 990 NE2 HIS A 63 11.486 -3.577 1.012 1.00 0.57 N ATOM 0 H HIS A 63 12.175 -1.432 4.595 1.00 0.31 H new ATOM 0 HA HIS A 63 14.823 -1.386 3.382 1.00 0.31 H new ATOM 0 HB2 HIS A 63 12.231 0.099 2.723 1.00 0.25 H new ATOM 0 HB3 HIS A 63 13.641 0.037 1.685 1.00 0.25 H new ATOM 0 HD2 HIS A 63 10.513 -1.637 1.364 1.00 0.46 H new ATOM 0 HE1 HIS A 63 13.151 -4.919 1.047 1.00 0.59 H new ATOM 0 HE2 HIS A 63 10.742 -4.153 0.619 1.00 0.57 H new ATOM 998 N GLU A 64 13.624 1.389 4.739 1.00 0.28 N ATOM 999 CA GLU A 64 14.067 2.706 5.275 1.00 0.32 C ATOM 1000 C GLU A 64 15.313 2.511 6.142 1.00 0.37 C ATOM 1001 O GLU A 64 16.030 3.446 6.435 1.00 0.32 O ATOM 1002 CB GLU A 64 12.948 3.318 6.119 1.00 0.29 C ATOM 1003 CG GLU A 64 13.404 4.670 6.671 1.00 0.36 C ATOM 1004 CD GLU A 64 12.206 5.410 7.267 1.00 0.86 C ATOM 1005 OE1 GLU A 64 11.178 4.780 7.453 1.00 1.85 O ATOM 1006 OE2 GLU A 64 12.336 6.595 7.528 1.00 1.74 O ATOM 0 H GLU A 64 12.627 1.196 4.831 1.00 0.28 H new ATOM 0 HA GLU A 64 14.302 3.374 4.446 1.00 0.32 H new ATOM 0 HB2 GLU A 64 12.050 3.445 5.514 1.00 0.29 H new ATOM 0 HB3 GLU A 64 12.688 2.648 6.938 1.00 0.29 H new ATOM 0 HG2 GLU A 64 14.170 4.524 7.433 1.00 0.36 H new ATOM 0 HG3 GLU A 64 13.854 5.266 5.877 1.00 0.36 H new ATOM 1013 N LYS A 65 15.576 1.301 6.553 1.00 0.55 N ATOM 1014 CA LYS A 65 16.775 1.044 7.400 1.00 0.63 C ATOM 1015 C LYS A 65 17.953 0.649 6.506 1.00 0.57 C ATOM 1016 O LYS A 65 19.097 0.906 6.823 1.00 0.56 O ATOM 1017 CB LYS A 65 16.474 -0.092 8.380 1.00 0.79 C ATOM 1018 CG LYS A 65 15.649 0.449 9.550 1.00 0.61 C ATOM 1019 CD LYS A 65 15.329 -0.691 10.518 1.00 1.43 C ATOM 1020 CE LYS A 65 14.120 -0.309 11.375 1.00 1.23 C ATOM 1021 NZ LYS A 65 14.237 1.117 11.792 1.00 0.38 N ATOM 0 H LYS A 65 15.012 0.479 6.339 1.00 0.55 H new ATOM 0 HA LYS A 65 17.027 1.946 7.958 1.00 0.63 H new ATOM 0 HB2 LYS A 65 15.928 -0.888 7.874 1.00 0.79 H new ATOM 0 HB3 LYS A 65 17.404 -0.526 8.747 1.00 0.79 H new ATOM 0 HG2 LYS A 65 16.201 1.234 10.066 1.00 0.61 H new ATOM 0 HG3 LYS A 65 14.726 0.898 9.182 1.00 0.61 H new ATOM 0 HD2 LYS A 65 15.120 -1.606 9.963 1.00 1.43 H new ATOM 0 HD3 LYS A 65 16.190 -0.894 11.155 1.00 1.43 H new ATOM 0 HE2 LYS A 65 13.199 -0.460 10.812 1.00 1.23 H new ATOM 0 HE3 LYS A 65 14.065 -0.952 12.253 1.00 1.23 H new ATOM 0 HZ1 LYS A 65 13.659 1.279 12.641 1.00 0.38 H new ATOM 0 HZ2 LYS A 65 15.231 1.337 12.003 1.00 0.38 H new ATOM 0 HZ3 LYS A 65 13.902 1.732 11.023 1.00 0.38 H new ATOM 1035 N ASP A 66 17.681 0.026 5.392 1.00 0.56 N ATOM 1036 CA ASP A 66 18.785 -0.385 4.480 1.00 0.53 C ATOM 1037 C ASP A 66 19.273 0.832 3.692 1.00 0.41 C ATOM 1038 O ASP A 66 18.527 1.756 3.432 1.00 0.28 O ATOM 1039 CB ASP A 66 18.273 -1.451 3.508 1.00 0.61 C ATOM 1040 CG ASP A 66 19.446 -2.304 3.021 1.00 1.06 C ATOM 1041 OD1 ASP A 66 20.217 -1.810 2.214 1.00 2.10 O ATOM 1042 OD2 ASP A 66 19.554 -3.435 3.464 1.00 0.88 O ATOM 0 H ASP A 66 16.742 -0.216 5.074 1.00 0.56 H new ATOM 0 HA ASP A 66 19.609 -0.793 5.066 1.00 0.53 H new ATOM 0 HB2 ASP A 66 17.531 -2.081 4.000 1.00 0.61 H new ATOM 0 HB3 ASP A 66 17.777 -0.977 2.660 1.00 0.61 H new ATOM 1047 N THR A 67 20.520 0.842 3.308 1.00 0.45 N ATOM 1048 CA THR A 67 21.055 2.000 2.538 1.00 0.34 C ATOM 1049 C THR A 67 20.935 1.716 1.039 1.00 0.37 C ATOM 1050 O THR A 67 21.842 1.978 0.274 1.00 0.36 O ATOM 1051 CB THR A 67 22.527 2.218 2.899 1.00 0.32 C ATOM 1052 OG1 THR A 67 23.120 3.094 1.952 1.00 1.75 O ATOM 1053 CG2 THR A 67 23.262 0.876 2.886 1.00 2.22 C ATOM 0 H THR A 67 21.192 0.098 3.494 1.00 0.45 H new ATOM 0 HA THR A 67 20.484 2.895 2.786 1.00 0.34 H new ATOM 0 HB THR A 67 22.596 2.657 3.894 1.00 0.32 H new ATOM 0 HG1 THR A 67 23.217 2.631 1.094 1.00 1.75 H new ATOM 0 HG21 THR A 67 24.310 1.032 3.143 1.00 2.22 H new ATOM 0 HG22 THR A 67 22.806 0.204 3.614 1.00 2.22 H new ATOM 0 HG23 THR A 67 23.194 0.434 1.892 1.00 2.22 H new ATOM 1061 N ARG A 68 19.822 1.182 0.615 1.00 0.43 N ATOM 1062 CA ARG A 68 19.641 0.879 -0.833 1.00 0.51 C ATOM 1063 C ARG A 68 18.896 2.033 -1.509 1.00 0.46 C ATOM 1064 O ARG A 68 19.411 2.680 -2.399 1.00 0.54 O ATOM 1065 CB ARG A 68 18.829 -0.409 -0.987 1.00 0.62 C ATOM 1066 CG ARG A 68 19.747 -1.618 -0.797 1.00 0.92 C ATOM 1067 CD ARG A 68 20.223 -2.117 -2.163 1.00 1.59 C ATOM 1068 NE ARG A 68 19.048 -2.558 -2.967 1.00 2.45 N ATOM 1069 CZ ARG A 68 19.169 -2.740 -4.254 1.00 3.27 C ATOM 1070 NH1 ARG A 68 20.320 -2.536 -4.836 1.00 3.25 N ATOM 1071 NH2 ARG A 68 18.141 -3.126 -4.958 1.00 4.59 N ATOM 0 H ARG A 68 19.029 0.942 1.210 1.00 0.43 H new ATOM 0 HA ARG A 68 20.617 0.753 -1.301 1.00 0.51 H new ATOM 0 HB2 ARG A 68 18.023 -0.433 -0.254 1.00 0.62 H new ATOM 0 HB3 ARG A 68 18.365 -0.443 -1.973 1.00 0.62 H new ATOM 0 HG2 ARG A 68 20.603 -1.345 -0.179 1.00 0.92 H new ATOM 0 HG3 ARG A 68 19.216 -2.412 -0.273 1.00 0.92 H new ATOM 0 HD2 ARG A 68 20.758 -1.324 -2.686 1.00 1.59 H new ATOM 0 HD3 ARG A 68 20.922 -2.944 -2.037 1.00 1.59 H new ATOM 0 HE ARG A 68 18.149 -2.718 -2.512 1.00 2.45 H new ATOM 0 HH11 ARG A 68 21.124 -2.235 -4.285 1.00 3.25 H new ATOM 0 HH12 ARG A 68 20.415 -2.678 -5.842 1.00 3.25 H new ATOM 0 HH21 ARG A 68 17.242 -3.286 -4.503 1.00 4.59 H new ATOM 0 HH22 ARG A 68 18.236 -3.268 -5.964 1.00 4.59 H new ATOM 1085 N CYS A 69 17.686 2.293 -1.096 1.00 0.39 N ATOM 1086 CA CYS A 69 16.908 3.403 -1.716 1.00 0.34 C ATOM 1087 C CYS A 69 17.340 4.738 -1.108 1.00 0.24 C ATOM 1088 O CYS A 69 16.717 5.759 -1.326 1.00 0.22 O ATOM 1089 CB CYS A 69 15.415 3.182 -1.458 1.00 0.33 C ATOM 1090 SG CYS A 69 15.053 1.410 -1.498 1.00 0.24 S ATOM 0 H CYS A 69 17.202 1.785 -0.356 1.00 0.39 H new ATOM 0 HA CYS A 69 17.095 3.421 -2.790 1.00 0.34 H new ATOM 0 HB2 CYS A 69 15.136 3.599 -0.490 1.00 0.33 H new ATOM 0 HB3 CYS A 69 14.824 3.702 -2.212 1.00 0.33 H new ATOM 1095 N LEU A 70 18.400 4.743 -0.347 1.00 0.20 N ATOM 1096 CA LEU A 70 18.867 6.017 0.269 1.00 0.13 C ATOM 1097 C LEU A 70 19.792 6.744 -0.708 1.00 0.21 C ATOM 1098 O LEU A 70 19.634 7.920 -0.971 1.00 0.32 O ATOM 1099 CB LEU A 70 19.630 5.711 1.562 1.00 0.16 C ATOM 1100 CG LEU A 70 18.646 5.574 2.732 1.00 0.15 C ATOM 1101 CD1 LEU A 70 19.388 5.053 3.964 1.00 0.24 C ATOM 1102 CD2 LEU A 70 18.019 6.936 3.064 1.00 0.40 C ATOM 0 H LEU A 70 18.962 3.921 -0.125 1.00 0.20 H new ATOM 0 HA LEU A 70 18.007 6.648 0.496 1.00 0.13 H new ATOM 0 HB2 LEU A 70 20.202 4.790 1.447 1.00 0.16 H new ATOM 0 HB3 LEU A 70 20.345 6.507 1.769 1.00 0.16 H new ATOM 0 HG LEU A 70 17.858 4.877 2.447 1.00 0.15 H new ATOM 0 HD11 LEU A 70 18.690 4.956 4.795 1.00 0.24 H new ATOM 0 HD12 LEU A 70 19.825 4.080 3.741 1.00 0.24 H new ATOM 0 HD13 LEU A 70 20.179 5.752 4.235 1.00 0.24 H new ATOM 0 HD21 LEU A 70 17.323 6.823 3.896 1.00 0.40 H new ATOM 0 HD22 LEU A 70 18.804 7.640 3.340 1.00 0.40 H new ATOM 0 HD23 LEU A 70 17.484 7.313 2.192 1.00 0.40 H new ATOM 1114 N GLY A 71 20.760 6.054 -1.249 1.00 0.24 N ATOM 1115 CA GLY A 71 21.694 6.707 -2.209 1.00 0.33 C ATOM 1116 C GLY A 71 22.670 7.602 -1.444 1.00 0.32 C ATOM 1117 O GLY A 71 23.021 7.330 -0.313 1.00 0.23 O ATOM 0 H GLY A 71 20.944 5.067 -1.067 1.00 0.24 H new ATOM 0 HA2 GLY A 71 22.242 5.951 -2.771 1.00 0.33 H new ATOM 0 HA3 GLY A 71 21.133 7.298 -2.933 1.00 0.33 H new ATOM 1121 N ALA A 72 23.113 8.668 -2.053 1.00 0.45 N ATOM 1122 CA ALA A 72 24.066 9.580 -1.360 1.00 0.48 C ATOM 1123 C ALA A 72 23.822 11.018 -1.821 1.00 0.50 C ATOM 1124 O ALA A 72 23.951 11.956 -1.058 1.00 0.62 O ATOM 1125 CB ALA A 72 25.500 9.171 -1.699 1.00 0.51 C ATOM 0 H ALA A 72 22.856 8.946 -3.000 1.00 0.45 H new ATOM 0 HA ALA A 72 23.915 9.514 -0.283 1.00 0.48 H new ATOM 0 HB1 ALA A 72 26.198 9.838 -1.192 1.00 0.51 H new ATOM 0 HB2 ALA A 72 25.673 8.146 -1.370 1.00 0.51 H new ATOM 0 HB3 ALA A 72 25.652 9.237 -2.776 1.00 0.51 H new ATOM 1131 N THR A 73 23.472 11.201 -3.064 1.00 0.48 N ATOM 1132 CA THR A 73 23.220 12.579 -3.573 1.00 0.51 C ATOM 1133 C THR A 73 22.305 13.323 -2.599 1.00 0.52 C ATOM 1134 O THR A 73 21.669 12.729 -1.752 1.00 0.51 O ATOM 1135 CB THR A 73 22.550 12.502 -4.947 1.00 0.52 C ATOM 1136 OG1 THR A 73 21.340 11.763 -4.839 1.00 1.02 O ATOM 1137 CG2 THR A 73 23.487 11.810 -5.936 1.00 0.49 C ATOM 0 H THR A 73 23.349 10.456 -3.750 1.00 0.48 H new ATOM 0 HA THR A 73 24.167 13.112 -3.661 1.00 0.51 H new ATOM 0 HB THR A 73 22.332 13.509 -5.303 1.00 0.52 H new ATOM 0 HG1 THR A 73 21.441 10.901 -5.294 1.00 1.02 H new ATOM 0 HG21 THR A 73 23.008 11.756 -6.914 1.00 0.49 H new ATOM 0 HG22 THR A 73 24.414 12.377 -6.017 1.00 0.49 H new ATOM 0 HG23 THR A 73 23.708 10.802 -5.584 1.00 0.49 H new ATOM 1145 N ALA A 74 22.233 14.621 -2.712 1.00 0.54 N ATOM 1146 CA ALA A 74 21.358 15.402 -1.792 1.00 0.55 C ATOM 1147 C ALA A 74 19.960 15.529 -2.402 1.00 0.63 C ATOM 1148 O ALA A 74 19.026 15.955 -1.753 1.00 0.95 O ATOM 1149 CB ALA A 74 21.952 16.797 -1.585 1.00 0.56 C ATOM 0 H ALA A 74 22.742 15.174 -3.401 1.00 0.54 H new ATOM 0 HA ALA A 74 21.291 14.889 -0.833 1.00 0.55 H new ATOM 0 HB1 ALA A 74 21.313 17.369 -0.912 1.00 0.56 H new ATOM 0 HB2 ALA A 74 22.948 16.708 -1.151 1.00 0.56 H new ATOM 0 HB3 ALA A 74 22.019 17.310 -2.544 1.00 0.56 H new ATOM 1155 N GLN A 75 19.810 15.163 -3.646 1.00 0.35 N ATOM 1156 CA GLN A 75 18.472 15.262 -4.295 1.00 0.41 C ATOM 1157 C GLN A 75 17.703 13.957 -4.085 1.00 0.41 C ATOM 1158 O GLN A 75 16.501 13.953 -3.910 1.00 0.44 O ATOM 1159 CB GLN A 75 18.650 15.514 -5.793 1.00 0.46 C ATOM 1160 CG GLN A 75 19.335 14.307 -6.438 1.00 0.34 C ATOM 1161 CD GLN A 75 18.274 13.351 -6.988 1.00 1.94 C ATOM 1162 OE1 GLN A 75 17.129 13.399 -6.585 1.00 3.51 O ATOM 1163 NE2 GLN A 75 18.609 12.479 -7.899 1.00 2.47 N ATOM 0 H GLN A 75 20.555 14.800 -4.240 1.00 0.35 H new ATOM 0 HA GLN A 75 17.914 16.086 -3.851 1.00 0.41 H new ATOM 0 HB2 GLN A 75 17.681 15.688 -6.261 1.00 0.46 H new ATOM 0 HB3 GLN A 75 19.247 16.412 -5.953 1.00 0.46 H new ATOM 0 HG2 GLN A 75 19.995 14.636 -7.241 1.00 0.34 H new ATOM 0 HG3 GLN A 75 19.957 13.794 -5.705 1.00 0.34 H new ATOM 0 HE21 GLN A 75 19.570 12.439 -8.237 1.00 2.47 H new ATOM 0 HE22 GLN A 75 17.909 11.838 -8.273 1.00 2.47 H new ATOM 1172 N GLN A 76 18.388 12.845 -4.099 1.00 0.37 N ATOM 1173 CA GLN A 76 17.696 11.542 -3.901 1.00 0.38 C ATOM 1174 C GLN A 76 17.378 11.354 -2.416 1.00 0.35 C ATOM 1175 O GLN A 76 16.436 10.677 -2.053 1.00 0.36 O ATOM 1176 CB GLN A 76 18.602 10.404 -4.376 1.00 0.37 C ATOM 1177 CG GLN A 76 17.744 9.240 -4.874 1.00 0.48 C ATOM 1178 CD GLN A 76 18.626 8.010 -5.090 1.00 0.67 C ATOM 1179 OE1 GLN A 76 19.410 7.964 -6.017 1.00 1.35 O ATOM 1180 NE2 GLN A 76 18.530 7.001 -4.267 1.00 1.70 N ATOM 0 H GLN A 76 19.397 12.784 -4.239 1.00 0.37 H new ATOM 0 HA GLN A 76 16.770 11.532 -4.476 1.00 0.38 H new ATOM 0 HB2 GLN A 76 19.256 10.755 -5.175 1.00 0.37 H new ATOM 0 HB3 GLN A 76 19.245 10.073 -3.560 1.00 0.37 H new ATOM 0 HG2 GLN A 76 16.961 9.016 -4.150 1.00 0.48 H new ATOM 0 HG3 GLN A 76 17.248 9.513 -5.806 1.00 0.48 H new ATOM 0 HE21 GLN A 76 17.872 7.039 -3.488 1.00 1.70 H new ATOM 0 HE22 GLN A 76 19.113 6.175 -4.403 1.00 1.70 H new ATOM 1189 N PHE A 77 18.158 11.946 -1.553 1.00 0.30 N ATOM 1190 CA PHE A 77 17.899 11.801 -0.093 1.00 0.26 C ATOM 1191 C PHE A 77 16.485 12.288 0.225 1.00 0.19 C ATOM 1192 O PHE A 77 15.709 11.603 0.861 1.00 0.15 O ATOM 1193 CB PHE A 77 18.915 12.635 0.691 1.00 0.30 C ATOM 1194 CG PHE A 77 18.801 12.316 2.162 1.00 0.12 C ATOM 1195 CD1 PHE A 77 19.309 11.109 2.658 1.00 0.27 C ATOM 1196 CD2 PHE A 77 18.187 13.226 3.030 1.00 0.16 C ATOM 1197 CE1 PHE A 77 19.203 10.813 4.022 1.00 0.37 C ATOM 1198 CE2 PHE A 77 18.081 12.931 4.395 1.00 0.30 C ATOM 1199 CZ PHE A 77 18.589 11.724 4.890 1.00 0.38 C ATOM 0 H PHE A 77 18.963 12.523 -1.796 1.00 0.30 H new ATOM 0 HA PHE A 77 17.994 10.753 0.190 1.00 0.26 H new ATOM 0 HB2 PHE A 77 19.925 12.422 0.339 1.00 0.30 H new ATOM 0 HB3 PHE A 77 18.736 13.697 0.523 1.00 0.30 H new ATOM 0 HD1 PHE A 77 19.783 10.407 1.988 1.00 0.27 H new ATOM 0 HD2 PHE A 77 17.795 14.156 2.647 1.00 0.16 H new ATOM 0 HE1 PHE A 77 19.595 9.882 4.405 1.00 0.37 H new ATOM 0 HE2 PHE A 77 17.608 13.634 5.065 1.00 0.30 H new ATOM 0 HZ PHE A 77 18.507 11.495 5.942 1.00 0.38 H new ATOM 1209 N HIS A 78 16.141 13.470 -0.211 1.00 0.20 N ATOM 1210 CA HIS A 78 14.777 14.000 0.067 1.00 0.16 C ATOM 1211 C HIS A 78 13.751 13.228 -0.765 1.00 0.14 C ATOM 1212 O HIS A 78 12.741 12.778 -0.262 1.00 0.17 O ATOM 1213 CB HIS A 78 14.721 15.484 -0.303 1.00 0.22 C ATOM 1214 CG HIS A 78 14.146 16.265 0.846 1.00 0.71 C ATOM 1215 ND1 HIS A 78 14.836 17.302 1.453 1.00 1.67 N ATOM 1216 CD2 HIS A 78 12.948 16.172 1.509 1.00 0.77 C ATOM 1217 CE1 HIS A 78 14.054 17.789 2.435 1.00 2.16 C ATOM 1218 NE2 HIS A 78 12.892 17.136 2.512 1.00 1.59 N ATOM 0 H HIS A 78 16.747 14.091 -0.748 1.00 0.20 H new ATOM 0 HA HIS A 78 14.550 13.881 1.126 1.00 0.16 H new ATOM 0 HB2 HIS A 78 15.720 15.849 -0.541 1.00 0.22 H new ATOM 0 HB3 HIS A 78 14.110 15.625 -1.195 1.00 0.22 H new ATOM 0 HD2 HIS A 78 12.167 15.459 1.287 1.00 0.77 H new ATOM 0 HE1 HIS A 78 14.333 18.608 3.082 1.00 2.16 H new ATOM 0 HE2 HIS A 78 12.127 17.307 3.165 1.00 1.59 H new ATOM 1226 N ARG A 79 14.001 13.071 -2.037 1.00 0.14 N ATOM 1227 CA ARG A 79 13.041 12.328 -2.899 1.00 0.18 C ATOM 1228 C ARG A 79 12.703 10.985 -2.248 1.00 0.19 C ATOM 1229 O ARG A 79 11.691 10.380 -2.538 1.00 0.32 O ATOM 1230 CB ARG A 79 13.671 12.085 -4.272 1.00 0.21 C ATOM 1231 CG ARG A 79 12.674 12.467 -5.367 1.00 0.44 C ATOM 1232 CD ARG A 79 13.285 12.178 -6.740 1.00 0.64 C ATOM 1233 NE ARG A 79 13.376 13.443 -7.520 1.00 1.13 N ATOM 1234 CZ ARG A 79 14.126 13.500 -8.586 1.00 1.51 C ATOM 1235 NH1 ARG A 79 14.797 12.448 -8.969 1.00 1.60 N ATOM 1236 NH2 ARG A 79 14.205 14.608 -9.270 1.00 1.93 N ATOM 0 H ARG A 79 14.829 13.426 -2.515 1.00 0.14 H new ATOM 0 HA ARG A 79 12.129 12.914 -3.016 1.00 0.18 H new ATOM 0 HB2 ARG A 79 14.583 12.673 -4.375 1.00 0.21 H new ATOM 0 HB3 ARG A 79 13.955 11.037 -4.373 1.00 0.21 H new ATOM 0 HG2 ARG A 79 11.749 11.904 -5.243 1.00 0.44 H new ATOM 0 HG3 ARG A 79 12.417 13.523 -5.287 1.00 0.44 H new ATOM 0 HD2 ARG A 79 14.276 11.738 -6.624 1.00 0.64 H new ATOM 0 HD3 ARG A 79 12.674 11.451 -7.276 1.00 0.64 H new ATOM 0 HE ARG A 79 12.852 14.265 -7.221 1.00 1.13 H new ATOM 0 HH11 ARG A 79 14.735 11.581 -8.435 1.00 1.60 H new ATOM 0 HH12 ARG A 79 15.383 12.493 -9.802 1.00 1.60 H new ATOM 0 HH21 ARG A 79 13.680 15.430 -8.971 1.00 1.93 H new ATOM 0 HH22 ARG A 79 14.791 14.652 -10.103 1.00 1.93 H new ATOM 1250 N HIS A 80 13.545 10.513 -1.370 1.00 0.14 N ATOM 1251 CA HIS A 80 13.272 9.210 -0.701 1.00 0.14 C ATOM 1252 C HIS A 80 12.396 9.442 0.531 1.00 0.15 C ATOM 1253 O HIS A 80 11.366 8.819 0.698 1.00 0.17 O ATOM 1254 CB HIS A 80 14.595 8.570 -0.275 1.00 0.13 C ATOM 1255 CG HIS A 80 14.315 7.340 0.544 1.00 0.13 C ATOM 1256 ND1 HIS A 80 13.834 6.169 -0.022 1.00 0.34 N ATOM 1257 CD2 HIS A 80 14.443 7.082 1.886 1.00 0.17 C ATOM 1258 CE1 HIS A 80 13.693 5.269 0.969 1.00 0.36 C ATOM 1259 NE2 HIS A 80 14.049 5.774 2.153 1.00 0.27 N ATOM 0 H HIS A 80 14.410 10.973 -1.087 1.00 0.14 H new ATOM 0 HA HIS A 80 12.754 8.547 -1.394 1.00 0.14 H new ATOM 0 HB2 HIS A 80 15.185 8.309 -1.154 1.00 0.13 H new ATOM 0 HB3 HIS A 80 15.185 9.280 0.305 1.00 0.13 H new ATOM 0 HD2 HIS A 80 14.796 7.787 2.624 1.00 0.17 H new ATOM 0 HE1 HIS A 80 13.335 4.260 0.824 1.00 0.36 H new ATOM 0 HE2 HIS A 80 14.035 5.303 3.058 1.00 0.27 H new ATOM 1267 N LYS A 81 12.796 10.332 1.396 1.00 0.13 N ATOM 1268 CA LYS A 81 11.985 10.603 2.617 1.00 0.14 C ATOM 1269 C LYS A 81 10.526 10.830 2.218 1.00 0.13 C ATOM 1270 O LYS A 81 9.617 10.314 2.836 1.00 0.14 O ATOM 1271 CB LYS A 81 12.523 11.852 3.319 1.00 0.18 C ATOM 1272 CG LYS A 81 13.856 11.524 3.995 1.00 0.18 C ATOM 1273 CD LYS A 81 14.378 12.765 4.723 1.00 1.31 C ATOM 1274 CE LYS A 81 14.087 12.637 6.220 1.00 1.49 C ATOM 1275 NZ LYS A 81 14.287 13.958 6.879 1.00 2.60 N ATOM 0 H LYS A 81 13.650 10.884 1.311 1.00 0.13 H new ATOM 0 HA LYS A 81 12.048 9.751 3.294 1.00 0.14 H new ATOM 0 HB2 LYS A 81 12.658 12.658 2.598 1.00 0.18 H new ATOM 0 HB3 LYS A 81 11.805 12.204 4.059 1.00 0.18 H new ATOM 0 HG2 LYS A 81 13.726 10.703 4.700 1.00 0.18 H new ATOM 0 HG3 LYS A 81 14.581 11.193 3.252 1.00 0.18 H new ATOM 0 HD2 LYS A 81 15.450 12.873 4.558 1.00 1.31 H new ATOM 0 HD3 LYS A 81 13.902 13.661 4.324 1.00 1.31 H new ATOM 0 HE2 LYS A 81 13.064 12.293 6.375 1.00 1.49 H new ATOM 0 HE3 LYS A 81 14.745 11.892 6.667 1.00 1.49 H new ATOM 0 HZ1 LYS A 81 14.089 13.872 7.896 1.00 2.60 H new ATOM 0 HZ2 LYS A 81 15.270 14.269 6.742 1.00 2.60 H new ATOM 0 HZ3 LYS A 81 13.641 14.657 6.459 1.00 2.60 H new ATOM 1289 N GLN A 82 10.295 11.599 1.189 1.00 0.12 N ATOM 1290 CA GLN A 82 8.894 11.857 0.752 1.00 0.13 C ATOM 1291 C GLN A 82 8.192 10.526 0.482 1.00 0.11 C ATOM 1292 O GLN A 82 7.016 10.367 0.748 1.00 0.24 O ATOM 1293 CB GLN A 82 8.904 12.697 -0.526 1.00 0.14 C ATOM 1294 CG GLN A 82 7.953 13.885 -0.365 1.00 0.42 C ATOM 1295 CD GLN A 82 7.863 14.650 -1.686 1.00 0.35 C ATOM 1296 OE1 GLN A 82 7.322 14.153 -2.653 1.00 1.22 O ATOM 1297 NE2 GLN A 82 8.373 15.849 -1.769 1.00 1.08 N ATOM 0 H GLN A 82 11.015 12.059 0.633 1.00 0.12 H new ATOM 0 HA GLN A 82 8.362 12.396 1.536 1.00 0.13 H new ATOM 0 HB2 GLN A 82 9.914 13.052 -0.733 1.00 0.14 H new ATOM 0 HB3 GLN A 82 8.600 12.087 -1.377 1.00 0.14 H new ATOM 0 HG2 GLN A 82 6.965 13.535 -0.067 1.00 0.42 H new ATOM 0 HG3 GLN A 82 8.309 14.545 0.426 1.00 0.42 H new ATOM 0 HE21 GLN A 82 8.828 16.267 -0.957 1.00 1.08 H new ATOM 0 HE22 GLN A 82 8.317 16.368 -2.646 1.00 1.08 H new ATOM 1306 N LEU A 83 8.903 9.566 -0.045 1.00 0.06 N ATOM 1307 CA LEU A 83 8.275 8.245 -0.331 1.00 0.09 C ATOM 1308 C LEU A 83 7.830 7.600 0.983 1.00 0.08 C ATOM 1309 O LEU A 83 6.667 7.311 1.182 1.00 0.07 O ATOM 1310 CB LEU A 83 9.293 7.339 -1.028 1.00 0.13 C ATOM 1311 CG LEU A 83 8.561 6.289 -1.867 1.00 0.17 C ATOM 1312 CD1 LEU A 83 9.583 5.400 -2.578 1.00 0.22 C ATOM 1313 CD2 LEU A 83 7.685 5.426 -0.956 1.00 0.17 C ATOM 0 H LEU A 83 9.891 9.640 -0.289 1.00 0.06 H new ATOM 0 HA LEU A 83 7.409 8.383 -0.979 1.00 0.09 H new ATOM 0 HB2 LEU A 83 9.948 7.934 -1.664 1.00 0.13 H new ATOM 0 HB3 LEU A 83 9.926 6.850 -0.287 1.00 0.13 H new ATOM 0 HG LEU A 83 7.936 6.789 -2.607 1.00 0.17 H new ATOM 0 HD11 LEU A 83 9.062 4.652 -3.175 1.00 0.22 H new ATOM 0 HD12 LEU A 83 10.208 6.012 -3.228 1.00 0.22 H new ATOM 0 HD13 LEU A 83 10.209 4.901 -1.838 1.00 0.22 H new ATOM 0 HD21 LEU A 83 7.164 4.678 -1.554 1.00 0.17 H new ATOM 0 HD22 LEU A 83 8.311 4.927 -0.216 1.00 0.17 H new ATOM 0 HD23 LEU A 83 6.956 6.057 -0.448 1.00 0.17 H new ATOM 1325 N ILE A 84 8.748 7.375 1.883 1.00 0.08 N ATOM 1326 CA ILE A 84 8.378 6.749 3.185 1.00 0.08 C ATOM 1327 C ILE A 84 7.146 7.453 3.758 1.00 0.04 C ATOM 1328 O ILE A 84 6.249 6.825 4.284 1.00 0.05 O ATOM 1329 CB ILE A 84 9.545 6.887 4.167 1.00 0.11 C ATOM 1330 CG1 ILE A 84 10.854 6.508 3.467 1.00 0.14 C ATOM 1331 CG2 ILE A 84 9.321 5.959 5.363 1.00 0.13 C ATOM 1332 CD1 ILE A 84 10.685 5.171 2.742 1.00 0.17 C ATOM 0 H ILE A 84 9.737 7.597 1.774 1.00 0.08 H new ATOM 0 HA ILE A 84 8.155 5.693 3.030 1.00 0.08 H new ATOM 0 HB ILE A 84 9.604 7.919 4.513 1.00 0.11 H new ATOM 0 HG12 ILE A 84 11.135 7.285 2.756 1.00 0.14 H new ATOM 0 HG13 ILE A 84 11.660 6.437 4.197 1.00 0.14 H new ATOM 0 HG21 ILE A 84 10.152 6.058 6.061 1.00 0.13 H new ATOM 0 HG22 ILE A 84 8.392 6.230 5.864 1.00 0.13 H new ATOM 0 HG23 ILE A 84 9.259 4.927 5.017 1.00 0.13 H new ATOM 0 HD11 ILE A 84 11.618 4.906 2.246 1.00 0.17 H new ATOM 0 HD12 ILE A 84 10.425 4.396 3.463 1.00 0.17 H new ATOM 0 HD13 ILE A 84 9.891 5.257 2.000 1.00 0.17 H new ATOM 1344 N ARG A 85 7.095 8.753 3.660 1.00 0.04 N ATOM 1345 CA ARG A 85 5.921 9.495 4.200 1.00 0.07 C ATOM 1346 C ARG A 85 4.650 9.031 3.486 1.00 0.09 C ATOM 1347 O ARG A 85 3.643 8.753 4.108 1.00 0.13 O ATOM 1348 CB ARG A 85 6.115 10.996 3.969 1.00 0.06 C ATOM 1349 CG ARG A 85 6.238 11.709 5.316 1.00 0.20 C ATOM 1350 CD ARG A 85 6.370 13.216 5.087 1.00 0.76 C ATOM 1351 NE ARG A 85 7.249 13.803 6.137 1.00 0.99 N ATOM 1352 CZ ARG A 85 7.744 15.000 5.979 1.00 1.68 C ATOM 1353 NH1 ARG A 85 7.469 15.683 4.901 1.00 2.35 N ATOM 1354 NH2 ARG A 85 8.513 15.514 6.898 1.00 2.14 N ATOM 0 H ARG A 85 7.815 9.333 3.230 1.00 0.04 H new ATOM 0 HA ARG A 85 5.830 9.300 5.268 1.00 0.07 H new ATOM 0 HB2 ARG A 85 7.009 11.170 3.371 1.00 0.06 H new ATOM 0 HB3 ARG A 85 5.273 11.400 3.408 1.00 0.06 H new ATOM 0 HG2 ARG A 85 5.363 11.499 5.931 1.00 0.20 H new ATOM 0 HG3 ARG A 85 7.106 11.336 5.859 1.00 0.20 H new ATOM 0 HD2 ARG A 85 6.787 13.409 4.099 1.00 0.76 H new ATOM 0 HD3 ARG A 85 5.387 13.686 5.116 1.00 0.76 H new ATOM 0 HE ARG A 85 7.464 13.269 6.979 1.00 0.99 H new ATOM 0 HH11 ARG A 85 6.867 15.281 4.182 1.00 2.35 H new ATOM 0 HH12 ARG A 85 7.856 16.619 4.778 1.00 2.35 H new ATOM 0 HH21 ARG A 85 8.728 14.980 7.740 1.00 2.14 H new ATOM 0 HH22 ARG A 85 8.900 16.450 6.774 1.00 2.14 H new ATOM 1368 N PHE A 86 4.687 8.943 2.185 1.00 0.09 N ATOM 1369 CA PHE A 86 3.479 8.497 1.433 1.00 0.15 C ATOM 1370 C PHE A 86 2.989 7.161 1.996 1.00 0.08 C ATOM 1371 O PHE A 86 1.821 6.987 2.277 1.00 0.17 O ATOM 1372 CB PHE A 86 3.834 8.328 -0.046 1.00 0.24 C ATOM 1373 CG PHE A 86 3.482 9.591 -0.796 1.00 0.33 C ATOM 1374 CD1 PHE A 86 2.139 9.915 -1.029 1.00 0.35 C ATOM 1375 CD2 PHE A 86 4.496 10.438 -1.257 1.00 0.45 C ATOM 1376 CE1 PHE A 86 1.813 11.085 -1.724 1.00 0.47 C ATOM 1377 CE2 PHE A 86 4.169 11.609 -1.952 1.00 0.57 C ATOM 1378 CZ PHE A 86 2.828 11.933 -2.185 1.00 0.58 C ATOM 0 H PHE A 86 5.501 9.160 1.610 1.00 0.09 H new ATOM 0 HA PHE A 86 2.691 9.244 1.536 1.00 0.15 H new ATOM 0 HB2 PHE A 86 4.897 8.113 -0.153 1.00 0.24 H new ATOM 0 HB3 PHE A 86 3.293 7.480 -0.466 1.00 0.24 H new ATOM 0 HD1 PHE A 86 1.356 9.262 -0.672 1.00 0.35 H new ATOM 0 HD2 PHE A 86 5.531 10.189 -1.077 1.00 0.45 H new ATOM 0 HE1 PHE A 86 0.778 11.334 -1.905 1.00 0.47 H new ATOM 0 HE2 PHE A 86 4.952 12.262 -2.308 1.00 0.57 H new ATOM 0 HZ PHE A 86 2.576 12.837 -2.720 1.00 0.58 H new ATOM 1388 N LEU A 87 3.873 6.216 2.162 1.00 0.08 N ATOM 1389 CA LEU A 87 3.455 4.893 2.706 1.00 0.18 C ATOM 1390 C LEU A 87 2.995 5.057 4.156 1.00 0.20 C ATOM 1391 O LEU A 87 1.899 4.680 4.517 1.00 0.35 O ATOM 1392 CB LEU A 87 4.636 3.922 2.651 1.00 0.24 C ATOM 1393 CG LEU A 87 5.261 3.957 1.257 1.00 0.23 C ATOM 1394 CD1 LEU A 87 6.442 2.987 1.200 1.00 0.23 C ATOM 1395 CD2 LEU A 87 4.214 3.544 0.219 1.00 0.44 C ATOM 0 H LEU A 87 4.866 6.302 1.945 1.00 0.08 H new ATOM 0 HA LEU A 87 2.633 4.499 2.108 1.00 0.18 H new ATOM 0 HB2 LEU A 87 5.379 4.194 3.401 1.00 0.24 H new ATOM 0 HB3 LEU A 87 4.301 2.912 2.886 1.00 0.24 H new ATOM 0 HG LEU A 87 5.610 4.967 1.042 1.00 0.23 H new ATOM 0 HD11 LEU A 87 6.887 3.013 0.205 1.00 0.23 H new ATOM 0 HD12 LEU A 87 7.188 3.279 1.939 1.00 0.23 H new ATOM 0 HD13 LEU A 87 6.094 1.977 1.415 1.00 0.23 H new ATOM 0 HD21 LEU A 87 4.659 3.569 -0.776 1.00 0.44 H new ATOM 0 HD22 LEU A 87 3.865 2.534 0.436 1.00 0.44 H new ATOM 0 HD23 LEU A 87 3.372 4.235 0.257 1.00 0.44 H new ATOM 1407 N LYS A 88 3.828 5.617 4.991 1.00 0.13 N ATOM 1408 CA LYS A 88 3.440 5.802 6.418 1.00 0.16 C ATOM 1409 C LYS A 88 2.066 6.471 6.495 1.00 0.17 C ATOM 1410 O LYS A 88 1.413 6.454 7.520 1.00 0.27 O ATOM 1411 CB LYS A 88 4.476 6.685 7.117 1.00 0.14 C ATOM 1412 CG LYS A 88 4.999 5.968 8.364 1.00 0.61 C ATOM 1413 CD LYS A 88 5.982 6.880 9.102 1.00 0.58 C ATOM 1414 CE LYS A 88 7.355 6.210 9.161 1.00 0.71 C ATOM 1415 NZ LYS A 88 7.267 4.969 9.982 1.00 1.25 N ATOM 0 H LYS A 88 4.759 5.954 4.747 1.00 0.13 H new ATOM 0 HA LYS A 88 3.397 4.830 6.910 1.00 0.16 H new ATOM 0 HB2 LYS A 88 5.300 6.904 6.438 1.00 0.14 H new ATOM 0 HB3 LYS A 88 4.028 7.640 7.394 1.00 0.14 H new ATOM 0 HG2 LYS A 88 4.169 5.704 9.020 1.00 0.61 H new ATOM 0 HG3 LYS A 88 5.491 5.037 8.082 1.00 0.61 H new ATOM 0 HD2 LYS A 88 6.056 7.841 8.592 1.00 0.58 H new ATOM 0 HD3 LYS A 88 5.620 7.082 10.110 1.00 0.58 H new ATOM 0 HE2 LYS A 88 7.698 5.970 8.155 1.00 0.71 H new ATOM 0 HE3 LYS A 88 8.087 6.893 9.592 1.00 0.71 H new ATOM 0 HZ1 LYS A 88 8.195 4.766 10.404 1.00 1.25 H new ATOM 0 HZ2 LYS A 88 6.565 5.102 10.737 1.00 1.25 H new ATOM 0 HZ3 LYS A 88 6.979 4.173 9.378 1.00 1.25 H new ATOM 1429 N ARG A 89 1.619 7.061 5.420 1.00 0.09 N ATOM 1430 CA ARG A 89 0.287 7.730 5.438 1.00 0.10 C ATOM 1431 C ARG A 89 -0.794 6.730 5.026 1.00 0.09 C ATOM 1432 O ARG A 89 -1.518 6.208 5.851 1.00 0.10 O ATOM 1433 CB ARG A 89 0.293 8.907 4.460 1.00 0.12 C ATOM 1434 CG ARG A 89 -1.082 9.578 4.457 1.00 0.17 C ATOM 1435 CD ARG A 89 -0.911 11.092 4.329 1.00 0.40 C ATOM 1436 NE ARG A 89 -0.497 11.658 5.643 1.00 1.39 N ATOM 1437 CZ ARG A 89 -0.007 12.867 5.709 1.00 1.87 C ATOM 1438 NH1 ARG A 89 0.120 13.578 4.621 1.00 1.52 N ATOM 1439 NH2 ARG A 89 0.355 13.363 6.860 1.00 2.81 N ATOM 0 H ARG A 89 2.118 7.109 4.531 1.00 0.09 H new ATOM 0 HA ARG A 89 0.079 8.095 6.444 1.00 0.10 H new ATOM 0 HB2 ARG A 89 1.060 9.627 4.746 1.00 0.12 H new ATOM 0 HB3 ARG A 89 0.541 8.559 3.457 1.00 0.12 H new ATOM 0 HG2 ARG A 89 -1.682 9.198 3.630 1.00 0.17 H new ATOM 0 HG3 ARG A 89 -1.617 9.338 5.376 1.00 0.17 H new ATOM 0 HD2 ARG A 89 -0.163 11.321 3.570 1.00 0.40 H new ATOM 0 HD3 ARG A 89 -1.846 11.548 4.003 1.00 0.40 H new ATOM 0 HE ARG A 89 -0.596 11.101 6.492 1.00 1.39 H new ATOM 0 HH11 ARG A 89 -0.163 13.189 3.722 1.00 1.52 H new ATOM 0 HH12 ARG A 89 0.502 14.522 4.671 1.00 1.52 H new ATOM 0 HH21 ARG A 89 0.255 12.807 7.709 1.00 2.81 H new ATOM 0 HH22 ARG A 89 0.738 14.307 6.911 1.00 2.81 H new ATOM 1453 N LEU A 90 -0.913 6.458 3.754 1.00 0.18 N ATOM 1454 CA LEU A 90 -1.951 5.492 3.294 1.00 0.21 C ATOM 1455 C LEU A 90 -1.848 4.203 4.109 1.00 0.20 C ATOM 1456 O LEU A 90 -2.838 3.562 4.403 1.00 0.34 O ATOM 1457 CB LEU A 90 -1.736 5.178 1.810 1.00 0.24 C ATOM 1458 CG LEU A 90 -0.337 4.594 1.605 1.00 0.24 C ATOM 1459 CD1 LEU A 90 -0.440 3.083 1.390 1.00 0.26 C ATOM 1460 CD2 LEU A 90 0.307 5.239 0.374 1.00 0.29 C ATOM 0 H LEU A 90 -0.337 6.862 3.015 1.00 0.18 H new ATOM 0 HA LEU A 90 -2.940 5.930 3.433 1.00 0.21 H new ATOM 0 HB2 LEU A 90 -2.490 4.471 1.465 1.00 0.24 H new ATOM 0 HB3 LEU A 90 -1.853 6.084 1.216 1.00 0.24 H new ATOM 0 HG LEU A 90 0.273 4.795 2.486 1.00 0.24 H new ATOM 0 HD11 LEU A 90 0.557 2.667 1.244 1.00 0.26 H new ATOM 0 HD12 LEU A 90 -0.901 2.622 2.263 1.00 0.26 H new ATOM 0 HD13 LEU A 90 -1.050 2.882 0.509 1.00 0.26 H new ATOM 0 HD21 LEU A 90 1.304 4.824 0.226 1.00 0.29 H new ATOM 0 HD22 LEU A 90 -0.305 5.036 -0.505 1.00 0.29 H new ATOM 0 HD23 LEU A 90 0.380 6.316 0.524 1.00 0.29 H new ATOM 1472 N ASP A 91 -0.658 3.814 4.478 1.00 0.21 N ATOM 1473 CA ASP A 91 -0.496 2.565 5.273 1.00 0.25 C ATOM 1474 C ASP A 91 -1.402 2.623 6.505 1.00 0.18 C ATOM 1475 O ASP A 91 -1.906 1.617 6.964 1.00 0.14 O ATOM 1476 CB ASP A 91 0.962 2.430 5.720 1.00 0.36 C ATOM 1477 CG ASP A 91 1.122 1.166 6.568 1.00 0.65 C ATOM 1478 OD1 ASP A 91 1.076 0.087 6.001 1.00 1.85 O ATOM 1479 OD2 ASP A 91 1.286 1.301 7.769 1.00 0.36 O ATOM 0 H ASP A 91 0.208 4.307 4.263 1.00 0.21 H new ATOM 0 HA ASP A 91 -0.770 1.707 4.660 1.00 0.25 H new ATOM 0 HB2 ASP A 91 1.617 2.382 4.850 1.00 0.36 H new ATOM 0 HB3 ASP A 91 1.260 3.307 6.295 1.00 0.36 H new ATOM 1484 N ARG A 92 -1.613 3.793 7.043 1.00 0.23 N ATOM 1485 CA ARG A 92 -2.487 3.912 8.245 1.00 0.21 C ATOM 1486 C ARG A 92 -3.948 4.014 7.807 1.00 0.12 C ATOM 1487 O ARG A 92 -4.843 3.535 8.476 1.00 0.14 O ATOM 1488 CB ARG A 92 -2.102 5.165 9.034 1.00 0.28 C ATOM 1489 CG ARG A 92 -0.646 5.054 9.492 1.00 0.58 C ATOM 1490 CD ARG A 92 -0.604 4.786 10.997 1.00 0.47 C ATOM 1491 NE ARG A 92 -0.997 6.020 11.734 1.00 1.35 N ATOM 1492 CZ ARG A 92 -1.319 5.952 12.997 1.00 1.64 C ATOM 1493 NH1 ARG A 92 -1.299 4.802 13.614 1.00 1.08 N ATOM 1494 NH2 ARG A 92 -1.663 7.033 13.641 1.00 2.69 N ATOM 0 H ARG A 92 -1.219 4.670 6.703 1.00 0.23 H new ATOM 0 HA ARG A 92 -2.358 3.032 8.875 1.00 0.21 H new ATOM 0 HB2 ARG A 92 -2.233 6.052 8.414 1.00 0.28 H new ATOM 0 HB3 ARG A 92 -2.758 5.280 9.897 1.00 0.28 H new ATOM 0 HG2 ARG A 92 -0.145 4.249 8.954 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -0.110 5.974 9.261 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -1.279 3.968 11.250 1.00 0.47 H new ATOM 0 HD3 ARG A 92 0.398 4.476 11.294 1.00 0.47 H new ATOM 0 HE ARG A 92 -1.014 6.918 11.251 1.00 1.35 H new ATOM 0 HH11 ARG A 92 -1.032 3.957 13.109 1.00 1.08 H new ATOM 0 HH12 ARG A 92 -1.551 4.748 14.601 1.00 1.08 H new ATOM 0 HH21 ARG A 92 -1.680 7.931 13.158 1.00 2.69 H new ATOM 0 HH22 ARG A 92 -1.915 6.980 14.628 1.00 2.69 H new ATOM 1508 N ASN A 93 -4.198 4.632 6.687 1.00 0.09 N ATOM 1509 CA ASN A 93 -5.602 4.765 6.206 1.00 0.09 C ATOM 1510 C ASN A 93 -6.219 3.375 6.042 1.00 0.13 C ATOM 1511 O ASN A 93 -7.313 3.113 6.502 1.00 0.18 O ATOM 1512 CB ASN A 93 -5.613 5.490 4.857 1.00 0.15 C ATOM 1513 CG ASN A 93 -5.148 6.934 5.051 1.00 0.37 C ATOM 1514 OD1 ASN A 93 -5.943 7.852 5.009 1.00 1.69 O ATOM 1515 ND2 ASN A 93 -3.883 7.177 5.261 1.00 0.89 N ATOM 0 H ASN A 93 -3.491 5.051 6.083 1.00 0.09 H new ATOM 0 HA ASN A 93 -6.181 5.337 6.931 1.00 0.09 H new ATOM 0 HB2 ASN A 93 -4.959 4.978 4.151 1.00 0.15 H new ATOM 0 HB3 ASN A 93 -6.616 5.474 4.431 1.00 0.15 H new ATOM 0 HD21 ASN A 93 -3.563 8.137 5.390 1.00 0.89 H new ATOM 0 HD22 ASN A 93 -3.215 6.407 5.296 1.00 0.89 H new ATOM 1522 N LEU A 94 -5.526 2.480 5.393 1.00 0.12 N ATOM 1523 CA LEU A 94 -6.074 1.108 5.202 1.00 0.16 C ATOM 1524 C LEU A 94 -6.361 0.481 6.567 1.00 0.18 C ATOM 1525 O LEU A 94 -7.500 0.306 6.955 1.00 0.38 O ATOM 1526 CB LEU A 94 -5.053 0.250 4.452 1.00 0.16 C ATOM 1527 CG LEU A 94 -4.638 0.958 3.161 1.00 0.16 C ATOM 1528 CD1 LEU A 94 -3.613 0.104 2.416 1.00 0.21 C ATOM 1529 CD2 LEU A 94 -5.868 1.167 2.273 1.00 0.36 C ATOM 0 H LEU A 94 -4.604 2.640 4.987 1.00 0.12 H new ATOM 0 HA LEU A 94 -6.997 1.162 4.624 1.00 0.16 H new ATOM 0 HB2 LEU A 94 -4.179 0.075 5.080 1.00 0.16 H new ATOM 0 HB3 LEU A 94 -5.481 -0.726 4.222 1.00 0.16 H new ATOM 0 HG LEU A 94 -4.197 1.925 3.405 1.00 0.16 H new ATOM 0 HD11 LEU A 94 -3.318 0.609 1.496 1.00 0.21 H new ATOM 0 HD12 LEU A 94 -2.736 -0.044 3.046 1.00 0.21 H new ATOM 0 HD13 LEU A 94 -4.053 -0.863 2.173 1.00 0.21 H new ATOM 0 HD21 LEU A 94 -5.571 1.672 1.353 1.00 0.36 H new ATOM 0 HD22 LEU A 94 -6.310 0.201 2.030 1.00 0.36 H new ATOM 0 HD23 LEU A 94 -6.599 1.778 2.802 1.00 0.36 H new ATOM 1541 N TRP A 95 -5.338 0.138 7.301 1.00 0.09 N ATOM 1542 CA TRP A 95 -5.554 -0.478 8.641 1.00 0.09 C ATOM 1543 C TRP A 95 -6.568 0.355 9.427 1.00 0.08 C ATOM 1544 O TRP A 95 -7.093 -0.077 10.434 1.00 0.07 O ATOM 1545 CB TRP A 95 -4.228 -0.519 9.404 1.00 0.07 C ATOM 1546 CG TRP A 95 -4.464 -1.044 10.783 1.00 0.08 C ATOM 1547 CD1 TRP A 95 -4.681 -0.280 11.878 1.00 0.14 C ATOM 1548 CD2 TRP A 95 -4.511 -2.429 11.234 1.00 0.08 C ATOM 1549 NE1 TRP A 95 -4.858 -1.108 12.973 1.00 0.14 N ATOM 1550 CE2 TRP A 95 -4.762 -2.441 12.626 1.00 0.09 C ATOM 1551 CE3 TRP A 95 -4.361 -3.664 10.577 1.00 0.15 C ATOM 1552 CZ2 TRP A 95 -4.862 -3.636 13.342 1.00 0.10 C ATOM 1553 CZ3 TRP A 95 -4.460 -4.868 11.294 1.00 0.19 C ATOM 1554 CH2 TRP A 95 -4.710 -4.853 12.673 1.00 0.15 C ATOM 0 H TRP A 95 -4.362 0.258 7.031 1.00 0.09 H new ATOM 0 HA TRP A 95 -5.934 -1.492 8.517 1.00 0.09 H new ATOM 0 HB2 TRP A 95 -3.513 -1.153 8.879 1.00 0.07 H new ATOM 0 HB3 TRP A 95 -3.793 0.479 9.453 1.00 0.07 H new ATOM 0 HD1 TRP A 95 -4.711 0.799 11.895 1.00 0.14 H new ATOM 0 HE1 TRP A 95 -5.037 -0.774 13.920 1.00 0.14 H new ATOM 0 HE3 TRP A 95 -4.168 -3.687 9.515 1.00 0.15 H new ATOM 0 HZ2 TRP A 95 -5.055 -3.619 14.404 1.00 0.10 H new ATOM 0 HZ3 TRP A 95 -4.343 -5.810 10.780 1.00 0.19 H new ATOM 0 HH2 TRP A 95 -4.785 -5.782 13.218 1.00 0.15 H new ATOM 1565 N GLY A 96 -6.847 1.548 8.977 1.00 0.12 N ATOM 1566 CA GLY A 96 -7.827 2.407 9.700 1.00 0.14 C ATOM 1567 C GLY A 96 -9.243 1.874 9.471 1.00 0.16 C ATOM 1568 O GLY A 96 -9.882 1.375 10.375 1.00 0.19 O ATOM 0 H GLY A 96 -6.439 1.965 8.140 1.00 0.12 H new ATOM 0 HA2 GLY A 96 -7.600 2.418 10.766 1.00 0.14 H new ATOM 0 HA3 GLY A 96 -7.753 3.436 9.348 1.00 0.14 H new ATOM 1572 N LEU A 97 -9.739 1.977 8.268 1.00 0.16 N ATOM 1573 CA LEU A 97 -11.113 1.477 7.983 1.00 0.20 C ATOM 1574 C LEU A 97 -11.189 -0.020 8.287 1.00 0.23 C ATOM 1575 O LEU A 97 -12.225 -0.640 8.152 1.00 0.24 O ATOM 1576 CB LEU A 97 -11.466 1.727 6.509 1.00 0.17 C ATOM 1577 CG LEU A 97 -10.337 1.233 5.589 1.00 0.18 C ATOM 1578 CD1 LEU A 97 -10.267 -0.300 5.584 1.00 0.23 C ATOM 1579 CD2 LEU A 97 -10.602 1.726 4.165 1.00 0.15 C ATOM 0 H LEU A 97 -9.252 2.386 7.471 1.00 0.16 H new ATOM 0 HA LEU A 97 -11.825 2.009 8.614 1.00 0.20 H new ATOM 0 HB2 LEU A 97 -12.395 1.214 6.260 1.00 0.17 H new ATOM 0 HB3 LEU A 97 -11.636 2.791 6.346 1.00 0.17 H new ATOM 0 HG LEU A 97 -9.389 1.624 5.958 1.00 0.18 H new ATOM 0 HD11 LEU A 97 -9.461 -0.625 4.926 1.00 0.23 H new ATOM 0 HD12 LEU A 97 -10.077 -0.659 6.596 1.00 0.23 H new ATOM 0 HD13 LEU A 97 -11.213 -0.706 5.227 1.00 0.23 H new ATOM 0 HD21 LEU A 97 -9.806 1.380 3.506 1.00 0.15 H new ATOM 0 HD22 LEU A 97 -11.558 1.334 3.816 1.00 0.15 H new ATOM 0 HD23 LEU A 97 -10.632 2.816 4.157 1.00 0.15 H new ATOM 1591 N ALA A 98 -10.098 -0.608 8.697 1.00 0.26 N ATOM 1592 CA ALA A 98 -10.108 -2.065 9.007 1.00 0.30 C ATOM 1593 C ALA A 98 -10.661 -2.281 10.417 1.00 0.32 C ATOM 1594 O ALA A 98 -11.776 -2.730 10.595 1.00 0.40 O ATOM 1595 CB ALA A 98 -8.682 -2.613 8.928 1.00 0.33 C ATOM 0 H ALA A 98 -9.201 -0.142 8.830 1.00 0.26 H new ATOM 0 HA ALA A 98 -10.737 -2.587 8.286 1.00 0.30 H new ATOM 0 HB1 ALA A 98 -8.689 -3.679 9.155 1.00 0.33 H new ATOM 0 HB2 ALA A 98 -8.288 -2.458 7.924 1.00 0.33 H new ATOM 0 HB3 ALA A 98 -8.052 -2.093 9.649 1.00 0.33 H new ATOM 1601 N GLY A 99 -9.890 -1.967 11.421 1.00 0.30 N ATOM 1602 CA GLY A 99 -10.372 -2.156 12.819 1.00 0.31 C ATOM 1603 C GLY A 99 -10.196 -3.620 13.228 1.00 0.36 C ATOM 1604 O GLY A 99 -10.852 -4.107 14.126 1.00 0.59 O ATOM 0 H GLY A 99 -8.947 -1.588 11.334 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -9.816 -1.509 13.497 1.00 0.31 H new ATOM 0 HA3 GLY A 99 -11.421 -1.870 12.895 1.00 0.31 H new ATOM 1608 N LEU A 100 -9.312 -4.325 12.575 1.00 0.15 N ATOM 1609 CA LEU A 100 -9.095 -5.756 12.926 1.00 0.18 C ATOM 1610 C LEU A 100 -7.986 -5.860 13.976 1.00 0.19 C ATOM 1611 O LEU A 100 -7.000 -5.152 13.922 1.00 0.41 O ATOM 1612 CB LEU A 100 -8.686 -6.534 11.673 1.00 0.19 C ATOM 1613 CG LEU A 100 -9.929 -7.135 11.017 1.00 0.26 C ATOM 1614 CD1 LEU A 100 -9.654 -7.384 9.533 1.00 0.40 C ATOM 1615 CD2 LEU A 100 -10.275 -8.460 11.699 1.00 0.32 C ATOM 0 H LEU A 100 -8.732 -3.971 11.814 1.00 0.15 H new ATOM 0 HA LEU A 100 -10.017 -6.175 13.328 1.00 0.18 H new ATOM 0 HB2 LEU A 100 -8.176 -5.873 10.972 1.00 0.19 H new ATOM 0 HB3 LEU A 100 -7.983 -7.324 11.936 1.00 0.19 H new ATOM 0 HG LEU A 100 -10.764 -6.442 11.121 1.00 0.26 H new ATOM 0 HD11 LEU A 100 -10.541 -7.813 9.066 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -9.407 -6.441 9.046 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -8.818 -8.076 9.429 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -11.161 -8.889 11.232 1.00 0.32 H new ATOM 0 HD22 LEU A 100 -9.439 -9.152 11.595 1.00 0.32 H new ATOM 0 HD23 LEU A 100 -10.471 -8.284 12.757 1.00 0.32 H new ATOM 1627 N ASN A 101 -8.139 -6.737 14.929 1.00 0.17 N ATOM 1628 CA ASN A 101 -7.092 -6.885 15.981 1.00 0.16 C ATOM 1629 C ASN A 101 -6.034 -7.885 15.509 1.00 0.15 C ATOM 1630 O ASN A 101 -5.044 -7.518 14.909 1.00 0.33 O ATOM 1631 CB ASN A 101 -7.736 -7.393 17.273 1.00 0.32 C ATOM 1632 CG ASN A 101 -6.643 -7.820 18.253 1.00 1.89 C ATOM 1633 OD1 ASN A 101 -6.853 -8.690 19.075 1.00 2.69 O ATOM 1634 ND2 ASN A 101 -5.475 -7.239 18.202 1.00 2.67 N ATOM 0 H ASN A 101 -8.943 -7.358 15.026 1.00 0.17 H new ATOM 0 HA ASN A 101 -6.622 -5.919 16.166 1.00 0.16 H new ATOM 0 HB2 ASN A 101 -8.352 -6.611 17.717 1.00 0.32 H new ATOM 0 HB3 ASN A 101 -8.395 -8.234 17.057 1.00 0.32 H new ATOM 0 HD21 ASN A 101 -4.739 -7.515 18.852 1.00 2.67 H new ATOM 0 HD22 ASN A 101 -5.298 -6.509 17.512 1.00 2.67 H new ATOM 1641 N SER A 102 -6.235 -9.145 15.778 1.00 0.45 N ATOM 1642 CA SER A 102 -5.239 -10.167 15.347 1.00 0.53 C ATOM 1643 C SER A 102 -5.354 -10.384 13.836 1.00 0.42 C ATOM 1644 O SER A 102 -6.436 -10.415 13.284 1.00 0.41 O ATOM 1645 CB SER A 102 -5.512 -11.484 16.072 1.00 0.77 C ATOM 1646 OG SER A 102 -4.299 -12.216 16.189 1.00 2.13 O ATOM 0 H SER A 102 -7.045 -9.512 16.277 1.00 0.45 H new ATOM 0 HA SER A 102 -4.235 -9.820 15.590 1.00 0.53 H new ATOM 0 HB2 SER A 102 -5.929 -11.289 17.060 1.00 0.77 H new ATOM 0 HB3 SER A 102 -6.251 -12.068 15.524 1.00 0.77 H new ATOM 0 HG SER A 102 -4.470 -13.061 16.655 1.00 2.13 H new ATOM 1652 N CYS A 103 -4.246 -10.533 13.163 1.00 0.36 N ATOM 1653 CA CYS A 103 -4.293 -10.747 11.689 1.00 0.25 C ATOM 1654 C CYS A 103 -2.983 -11.391 11.218 1.00 0.22 C ATOM 1655 O CYS A 103 -2.208 -10.763 10.525 1.00 0.30 O ATOM 1656 CB CYS A 103 -4.469 -9.397 10.991 1.00 0.32 C ATOM 1657 SG CYS A 103 -4.896 -9.667 9.253 1.00 0.11 S ATOM 0 H CYS A 103 -3.311 -10.516 13.570 1.00 0.36 H new ATOM 0 HA CYS A 103 -5.128 -11.404 11.444 1.00 0.25 H new ATOM 0 HB2 CYS A 103 -5.252 -8.820 11.483 1.00 0.32 H new ATOM 0 HB3 CYS A 103 -3.550 -8.815 11.065 1.00 0.32 H new ATOM 1662 N PRO A 104 -2.766 -12.627 11.607 1.00 0.19 N ATOM 1663 CA PRO A 104 -1.543 -13.357 11.224 1.00 0.30 C ATOM 1664 C PRO A 104 -1.490 -13.540 9.705 1.00 0.35 C ATOM 1665 O PRO A 104 -2.506 -13.588 9.040 1.00 0.27 O ATOM 1666 CB PRO A 104 -1.656 -14.715 11.929 1.00 0.29 C ATOM 1667 CG PRO A 104 -2.995 -14.732 12.709 1.00 0.15 C ATOM 1668 CD PRO A 104 -3.705 -13.393 12.450 1.00 0.11 C ATOM 0 HA PRO A 104 -0.636 -12.824 11.509 1.00 0.30 H new ATOM 0 HB2 PRO A 104 -1.627 -15.527 11.202 1.00 0.29 H new ATOM 0 HB3 PRO A 104 -0.816 -14.864 12.608 1.00 0.29 H new ATOM 0 HG2 PRO A 104 -3.618 -15.564 12.381 1.00 0.15 H new ATOM 0 HG3 PRO A 104 -2.815 -14.869 13.775 1.00 0.15 H new ATOM 0 HD2 PRO A 104 -4.659 -13.542 11.945 1.00 0.11 H new ATOM 0 HD3 PRO A 104 -3.916 -12.870 13.383 1.00 0.11 H new ATOM 1676 N VAL A 105 -0.313 -13.645 9.151 1.00 0.52 N ATOM 1677 CA VAL A 105 -0.197 -13.826 7.676 1.00 0.60 C ATOM 1678 C VAL A 105 -0.141 -15.319 7.349 1.00 0.76 C ATOM 1679 O VAL A 105 0.377 -16.113 8.108 1.00 0.80 O ATOM 1680 CB VAL A 105 1.079 -13.146 7.177 1.00 0.75 C ATOM 1681 CG1 VAL A 105 2.297 -13.807 7.826 1.00 0.87 C ATOM 1682 CG2 VAL A 105 1.171 -13.290 5.656 1.00 0.88 C ATOM 0 H VAL A 105 0.573 -13.613 9.656 1.00 0.52 H new ATOM 0 HA VAL A 105 -1.062 -13.379 7.186 1.00 0.60 H new ATOM 0 HB VAL A 105 1.055 -12.089 7.442 1.00 0.75 H new ATOM 0 HG11 VAL A 105 3.206 -13.323 7.471 1.00 0.87 H new ATOM 0 HG12 VAL A 105 2.232 -13.706 8.909 1.00 0.87 H new ATOM 0 HG13 VAL A 105 2.322 -14.864 7.561 1.00 0.87 H new ATOM 0 HG21 VAL A 105 2.080 -12.806 5.299 1.00 0.88 H new ATOM 0 HG22 VAL A 105 1.195 -14.347 5.391 1.00 0.88 H new ATOM 0 HG23 VAL A 105 0.304 -12.820 5.193 1.00 0.88 H new ATOM 1692 N LYS A 106 -0.671 -15.709 6.222 1.00 0.90 N ATOM 1693 CA LYS A 106 -0.650 -17.151 5.846 1.00 1.12 C ATOM 1694 C LYS A 106 0.591 -17.438 4.998 1.00 1.18 C ATOM 1695 O LYS A 106 1.699 -17.474 5.496 1.00 1.48 O ATOM 1696 CB LYS A 106 -1.907 -17.488 5.041 1.00 1.10 C ATOM 1697 CG LYS A 106 -1.878 -18.968 4.643 1.00 1.32 C ATOM 1698 CD LYS A 106 -3.280 -19.581 4.782 1.00 1.52 C ATOM 1699 CE LYS A 106 -3.726 -19.617 6.253 1.00 2.21 C ATOM 1700 NZ LYS A 106 -2.581 -19.304 7.155 1.00 2.37 N ATOM 0 H LYS A 106 -1.118 -15.091 5.545 1.00 0.90 H new ATOM 0 HA LYS A 106 -0.623 -17.761 6.749 1.00 1.12 H new ATOM 0 HB2 LYS A 106 -2.798 -17.277 5.632 1.00 1.10 H new ATOM 0 HB3 LYS A 106 -1.960 -16.862 4.150 1.00 1.10 H new ATOM 0 HG2 LYS A 106 -1.529 -19.069 3.615 1.00 1.32 H new ATOM 0 HG3 LYS A 106 -1.172 -19.508 5.274 1.00 1.32 H new ATOM 0 HD2 LYS A 106 -3.993 -19.001 4.197 1.00 1.52 H new ATOM 0 HD3 LYS A 106 -3.280 -20.592 4.374 1.00 1.52 H new ATOM 0 HE2 LYS A 106 -4.529 -18.898 6.413 1.00 2.21 H new ATOM 0 HE3 LYS A 106 -4.127 -20.602 6.493 1.00 2.21 H new ATOM 0 HZ1 LYS A 106 -2.788 -19.653 8.113 1.00 2.37 H new ATOM 0 HZ2 LYS A 106 -1.721 -19.766 6.797 1.00 2.37 H new ATOM 0 HZ3 LYS A 106 -2.434 -18.275 7.186 1.00 2.37 H new ATOM 1714 N GLU A 107 0.413 -17.642 3.720 1.00 1.05 N ATOM 1715 CA GLU A 107 1.580 -17.927 2.836 1.00 1.08 C ATOM 1716 C GLU A 107 1.368 -17.252 1.479 1.00 0.81 C ATOM 1717 O GLU A 107 0.264 -16.889 1.122 1.00 0.84 O ATOM 1718 CB GLU A 107 1.712 -19.438 2.637 1.00 1.44 C ATOM 1719 CG GLU A 107 2.511 -20.040 3.796 1.00 1.52 C ATOM 1720 CD GLU A 107 3.983 -19.650 3.657 1.00 0.47 C ATOM 1721 OE1 GLU A 107 4.306 -18.955 2.708 1.00 1.68 O ATOM 1722 OE2 GLU A 107 4.765 -20.055 4.502 1.00 0.61 O ATOM 0 H GLU A 107 -0.492 -17.623 3.250 1.00 1.05 H new ATOM 0 HA GLU A 107 2.488 -17.540 3.298 1.00 1.08 H new ATOM 0 HB2 GLU A 107 0.724 -19.896 2.586 1.00 1.44 H new ATOM 0 HB3 GLU A 107 2.210 -19.648 1.691 1.00 1.44 H new ATOM 0 HG2 GLU A 107 2.117 -19.683 4.748 1.00 1.52 H new ATOM 0 HG3 GLU A 107 2.410 -21.125 3.797 1.00 1.52 H new ATOM 1729 N ALA A 108 2.415 -17.082 0.719 1.00 0.60 N ATOM 1730 CA ALA A 108 2.272 -16.432 -0.613 1.00 0.32 C ATOM 1731 C ALA A 108 3.642 -16.342 -1.287 1.00 0.27 C ATOM 1732 O ALA A 108 4.657 -16.649 -0.694 1.00 0.47 O ATOM 1733 CB ALA A 108 1.699 -15.024 -0.434 1.00 0.33 C ATOM 0 H ALA A 108 3.364 -17.366 0.964 1.00 0.60 H new ATOM 0 HA ALA A 108 1.599 -17.023 -1.235 1.00 0.32 H new ATOM 0 HB1 ALA A 108 1.594 -14.547 -1.409 1.00 0.33 H new ATOM 0 HB2 ALA A 108 0.723 -15.087 0.046 1.00 0.33 H new ATOM 0 HB3 ALA A 108 2.372 -14.434 0.188 1.00 0.33 H new ATOM 1739 N ASP A 109 3.680 -15.925 -2.523 1.00 0.24 N ATOM 1740 CA ASP A 109 4.985 -15.816 -3.233 1.00 0.53 C ATOM 1741 C ASP A 109 5.540 -14.401 -3.068 1.00 0.53 C ATOM 1742 O ASP A 109 5.774 -13.940 -1.968 1.00 0.66 O ATOM 1743 CB ASP A 109 4.782 -16.114 -4.720 1.00 0.68 C ATOM 1744 CG ASP A 109 4.424 -17.591 -4.902 1.00 0.99 C ATOM 1745 OD1 ASP A 109 4.343 -18.287 -3.903 1.00 1.49 O ATOM 1746 OD2 ASP A 109 4.237 -17.999 -6.036 1.00 1.13 O ATOM 0 H ASP A 109 2.863 -15.655 -3.072 1.00 0.24 H new ATOM 0 HA ASP A 109 5.689 -16.533 -2.811 1.00 0.53 H new ATOM 0 HB2 ASP A 109 3.988 -15.485 -5.123 1.00 0.68 H new ATOM 0 HB3 ASP A 109 5.689 -15.878 -5.276 1.00 0.68 H new ATOM 1751 N GLN A 110 5.755 -13.707 -4.152 1.00 0.51 N ATOM 1752 CA GLN A 110 6.295 -12.321 -4.056 1.00 0.56 C ATOM 1753 C GLN A 110 5.947 -11.548 -5.329 1.00 0.35 C ATOM 1754 O GLN A 110 5.578 -12.122 -6.335 1.00 0.42 O ATOM 1755 CB GLN A 110 7.815 -12.378 -3.892 1.00 0.97 C ATOM 1756 CG GLN A 110 8.434 -13.070 -5.107 1.00 1.05 C ATOM 1757 CD GLN A 110 9.432 -14.129 -4.639 1.00 1.29 C ATOM 1758 OE1 GLN A 110 10.618 -14.015 -4.881 1.00 1.29 O ATOM 1759 NE2 GLN A 110 9.001 -15.164 -3.971 1.00 2.23 N ATOM 0 H GLN A 110 5.580 -14.040 -5.100 1.00 0.51 H new ATOM 0 HA GLN A 110 5.855 -11.818 -3.195 1.00 0.56 H new ATOM 0 HB2 GLN A 110 8.218 -11.371 -3.789 1.00 0.97 H new ATOM 0 HB3 GLN A 110 8.073 -12.919 -2.982 1.00 0.97 H new ATOM 0 HG2 GLN A 110 7.654 -13.533 -5.712 1.00 1.05 H new ATOM 0 HG3 GLN A 110 8.935 -12.337 -5.740 1.00 1.05 H new ATOM 0 HE21 GLN A 110 8.006 -15.261 -3.767 1.00 2.23 H new ATOM 0 HE22 GLN A 110 9.659 -15.876 -3.653 1.00 2.23 H new ATOM 1768 N SER A 111 6.060 -10.249 -5.296 1.00 0.24 N ATOM 1769 CA SER A 111 5.736 -9.441 -6.505 1.00 0.16 C ATOM 1770 C SER A 111 6.486 -8.108 -6.443 1.00 0.07 C ATOM 1771 O SER A 111 6.825 -7.624 -5.383 1.00 0.27 O ATOM 1772 CB SER A 111 4.231 -9.177 -6.554 1.00 0.32 C ATOM 1773 OG SER A 111 3.745 -8.986 -5.231 1.00 0.42 O ATOM 0 H SER A 111 6.363 -9.712 -4.484 1.00 0.24 H new ATOM 0 HA SER A 111 6.038 -9.987 -7.399 1.00 0.16 H new ATOM 0 HB2 SER A 111 4.024 -8.295 -7.161 1.00 0.32 H new ATOM 0 HB3 SER A 111 3.718 -10.016 -7.025 1.00 0.32 H new ATOM 0 HG SER A 111 2.780 -8.815 -5.258 1.00 0.42 H new ATOM 1779 N THR A 112 6.745 -7.511 -7.575 1.00 0.24 N ATOM 1780 CA THR A 112 7.473 -6.210 -7.580 1.00 0.14 C ATOM 1781 C THR A 112 6.537 -5.100 -7.097 1.00 0.12 C ATOM 1782 O THR A 112 5.374 -5.061 -7.445 1.00 0.21 O ATOM 1783 CB THR A 112 7.946 -5.896 -9.002 1.00 0.16 C ATOM 1784 OG1 THR A 112 6.863 -6.064 -9.906 1.00 0.19 O ATOM 1785 CG2 THR A 112 9.085 -6.842 -9.383 1.00 0.22 C ATOM 0 H THR A 112 6.485 -7.867 -8.495 1.00 0.24 H new ATOM 0 HA THR A 112 8.335 -6.273 -6.916 1.00 0.14 H new ATOM 0 HB THR A 112 8.302 -4.867 -9.049 1.00 0.16 H new ATOM 0 HG1 THR A 112 6.991 -6.888 -10.420 1.00 0.19 H new ATOM 0 HG21 THR A 112 9.421 -6.618 -10.395 1.00 0.22 H new ATOM 0 HG22 THR A 112 9.914 -6.711 -8.688 1.00 0.22 H new ATOM 0 HG23 THR A 112 8.733 -7.872 -9.338 1.00 0.22 H new ATOM 1793 N LEU A 113 7.036 -4.196 -6.298 1.00 0.08 N ATOM 1794 CA LEU A 113 6.174 -3.090 -5.794 1.00 0.18 C ATOM 1795 C LEU A 113 5.398 -2.480 -6.963 1.00 0.24 C ATOM 1796 O LEU A 113 4.247 -2.112 -6.832 1.00 0.45 O ATOM 1797 CB LEU A 113 7.055 -2.015 -5.147 1.00 0.23 C ATOM 1798 CG LEU A 113 6.182 -0.990 -4.404 1.00 0.33 C ATOM 1799 CD1 LEU A 113 5.771 -1.526 -3.025 1.00 0.18 C ATOM 1800 CD2 LEU A 113 6.974 0.307 -4.223 1.00 0.56 C ATOM 0 H LEU A 113 8.003 -4.176 -5.973 1.00 0.08 H new ATOM 0 HA LEU A 113 5.473 -3.478 -5.055 1.00 0.18 H new ATOM 0 HB2 LEU A 113 7.756 -2.478 -4.452 1.00 0.23 H new ATOM 0 HB3 LEU A 113 7.648 -1.513 -5.911 1.00 0.23 H new ATOM 0 HG LEU A 113 5.282 -0.805 -4.991 1.00 0.33 H new ATOM 0 HD11 LEU A 113 5.154 -0.786 -2.516 1.00 0.18 H new ATOM 0 HD12 LEU A 113 5.204 -2.449 -3.148 1.00 0.18 H new ATOM 0 HD13 LEU A 113 6.663 -1.725 -2.431 1.00 0.18 H new ATOM 0 HD21 LEU A 113 6.360 1.038 -3.697 1.00 0.56 H new ATOM 0 HD22 LEU A 113 7.875 0.105 -3.644 1.00 0.56 H new ATOM 0 HD23 LEU A 113 7.252 0.703 -5.200 1.00 0.56 H new ATOM 1812 N GLU A 114 6.016 -2.372 -8.107 1.00 0.07 N ATOM 1813 CA GLU A 114 5.312 -1.786 -9.282 1.00 0.12 C ATOM 1814 C GLU A 114 4.063 -2.614 -9.592 1.00 0.13 C ATOM 1815 O GLU A 114 2.956 -2.113 -9.579 1.00 0.33 O ATOM 1816 CB GLU A 114 6.246 -1.798 -10.494 1.00 0.13 C ATOM 1817 CG GLU A 114 5.753 -0.786 -11.530 1.00 0.12 C ATOM 1818 CD GLU A 114 6.525 0.525 -11.371 1.00 1.47 C ATOM 1819 OE1 GLU A 114 7.646 0.590 -11.848 1.00 1.76 O ATOM 1820 OE2 GLU A 114 5.983 1.441 -10.775 1.00 2.70 O ATOM 0 H GLU A 114 6.978 -2.664 -8.279 1.00 0.07 H new ATOM 0 HA GLU A 114 5.021 -0.760 -9.058 1.00 0.12 H new ATOM 0 HB2 GLU A 114 7.262 -1.552 -10.185 1.00 0.13 H new ATOM 0 HB3 GLU A 114 6.278 -2.796 -10.932 1.00 0.13 H new ATOM 0 HG2 GLU A 114 5.892 -1.182 -12.536 1.00 0.12 H new ATOM 0 HG3 GLU A 114 4.685 -0.609 -11.402 1.00 0.12 H new ATOM 1827 N ASN A 115 4.231 -3.878 -9.868 1.00 0.34 N ATOM 1828 CA ASN A 115 3.053 -4.736 -10.177 1.00 0.40 C ATOM 1829 C ASN A 115 2.107 -4.755 -8.974 1.00 0.32 C ATOM 1830 O ASN A 115 0.921 -4.520 -9.102 1.00 0.24 O ATOM 1831 CB ASN A 115 3.524 -6.160 -10.478 1.00 0.53 C ATOM 1832 CG ASN A 115 4.449 -6.146 -11.697 1.00 0.71 C ATOM 1833 OD1 ASN A 115 5.305 -6.996 -11.833 1.00 1.77 O ATOM 1834 ND2 ASN A 115 4.310 -5.208 -12.594 1.00 0.48 N ATOM 0 H ASN A 115 5.133 -4.354 -9.893 1.00 0.34 H new ATOM 0 HA ASN A 115 2.529 -4.336 -11.045 1.00 0.40 H new ATOM 0 HB2 ASN A 115 4.048 -6.571 -9.615 1.00 0.53 H new ATOM 0 HB3 ASN A 115 2.666 -6.806 -10.667 1.00 0.53 H new ATOM 0 HD21 ASN A 115 4.921 -5.189 -13.411 1.00 0.48 H new ATOM 0 HD22 ASN A 115 3.590 -4.494 -12.478 1.00 0.48 H new ATOM 1841 N PHE A 116 2.621 -5.034 -7.808 1.00 0.37 N ATOM 1842 CA PHE A 116 1.751 -5.068 -6.598 1.00 0.32 C ATOM 1843 C PHE A 116 0.866 -3.820 -6.573 1.00 0.22 C ATOM 1844 O PHE A 116 -0.347 -3.907 -6.568 1.00 0.20 O ATOM 1845 CB PHE A 116 2.624 -5.100 -5.343 1.00 0.35 C ATOM 1846 CG PHE A 116 1.746 -5.201 -4.119 1.00 0.38 C ATOM 1847 CD1 PHE A 116 1.287 -4.038 -3.490 1.00 0.48 C ATOM 1848 CD2 PHE A 116 1.390 -6.457 -3.614 1.00 0.34 C ATOM 1849 CE1 PHE A 116 0.473 -4.130 -2.355 1.00 0.54 C ATOM 1850 CE2 PHE A 116 0.575 -6.549 -2.479 1.00 0.42 C ATOM 1851 CZ PHE A 116 0.117 -5.386 -1.850 1.00 0.51 C ATOM 0 H PHE A 116 3.606 -5.240 -7.640 1.00 0.37 H new ATOM 0 HA PHE A 116 1.123 -5.959 -6.626 1.00 0.32 H new ATOM 0 HB2 PHE A 116 3.307 -5.948 -5.384 1.00 0.35 H new ATOM 0 HB3 PHE A 116 3.237 -4.200 -5.291 1.00 0.35 H new ATOM 0 HD1 PHE A 116 1.561 -3.069 -3.881 1.00 0.48 H new ATOM 0 HD2 PHE A 116 1.744 -7.355 -4.099 1.00 0.34 H new ATOM 0 HE1 PHE A 116 0.120 -3.232 -1.869 1.00 0.54 H new ATOM 0 HE2 PHE A 116 0.300 -7.518 -2.089 1.00 0.42 H new ATOM 0 HZ PHE A 116 -0.511 -5.457 -0.975 1.00 0.51 H new ATOM 1861 N LEU A 117 1.461 -2.659 -6.559 1.00 0.36 N ATOM 1862 CA LEU A 117 0.653 -1.407 -6.535 1.00 0.26 C ATOM 1863 C LEU A 117 -0.212 -1.337 -7.796 1.00 0.17 C ATOM 1864 O LEU A 117 -1.174 -0.598 -7.859 1.00 0.14 O ATOM 1865 CB LEU A 117 1.589 -0.194 -6.492 1.00 0.34 C ATOM 1866 CG LEU A 117 2.307 -0.135 -5.137 1.00 0.57 C ATOM 1867 CD1 LEU A 117 3.336 0.996 -5.160 1.00 0.39 C ATOM 1868 CD2 LEU A 117 1.296 0.127 -4.013 1.00 1.16 C ATOM 0 H LEU A 117 2.472 -2.523 -6.563 1.00 0.36 H new ATOM 0 HA LEU A 117 0.014 -1.404 -5.652 1.00 0.26 H new ATOM 0 HB2 LEU A 117 2.320 -0.259 -7.298 1.00 0.34 H new ATOM 0 HB3 LEU A 117 1.019 0.722 -6.652 1.00 0.34 H new ATOM 0 HG LEU A 117 2.803 -1.088 -4.956 1.00 0.57 H new ATOM 0 HD11 LEU A 117 3.848 1.041 -4.199 1.00 0.39 H new ATOM 0 HD12 LEU A 117 4.063 0.810 -5.951 1.00 0.39 H new ATOM 0 HD13 LEU A 117 2.831 1.944 -5.347 1.00 0.39 H new ATOM 0 HD21 LEU A 117 1.817 0.167 -3.057 1.00 1.16 H new ATOM 0 HD22 LEU A 117 0.792 1.077 -4.191 1.00 1.16 H new ATOM 0 HD23 LEU A 117 0.559 -0.676 -3.992 1.00 1.16 H new ATOM 1880 N GLU A 118 0.122 -2.102 -8.799 1.00 0.31 N ATOM 1881 CA GLU A 118 -0.683 -2.079 -10.054 1.00 0.33 C ATOM 1882 C GLU A 118 -1.969 -2.880 -9.849 1.00 0.24 C ATOM 1883 O GLU A 118 -3.057 -2.340 -9.864 1.00 0.24 O ATOM 1884 CB GLU A 118 0.129 -2.699 -11.193 1.00 0.47 C ATOM 1885 CG GLU A 118 -0.399 -2.188 -12.534 1.00 0.59 C ATOM 1886 CD GLU A 118 0.421 -2.798 -13.673 1.00 1.53 C ATOM 1887 OE1 GLU A 118 1.635 -2.680 -13.630 1.00 2.07 O ATOM 1888 OE2 GLU A 118 -0.178 -3.372 -14.567 1.00 2.23 O ATOM 0 H GLU A 118 0.917 -2.742 -8.804 1.00 0.31 H new ATOM 0 HA GLU A 118 -0.933 -1.049 -10.306 1.00 0.33 H new ATOM 0 HB2 GLU A 118 1.183 -2.443 -11.084 1.00 0.47 H new ATOM 0 HB3 GLU A 118 0.060 -3.786 -11.153 1.00 0.47 H new ATOM 0 HG2 GLU A 118 -1.450 -2.452 -12.647 1.00 0.59 H new ATOM 0 HG3 GLU A 118 -0.338 -1.100 -12.570 1.00 0.59 H new ATOM 1895 N ARG A 119 -1.854 -4.166 -9.656 1.00 0.21 N ATOM 1896 CA ARG A 119 -3.071 -5.000 -9.450 1.00 0.17 C ATOM 1897 C ARG A 119 -3.861 -4.463 -8.254 1.00 0.18 C ATOM 1898 O ARG A 119 -5.073 -4.534 -8.216 1.00 0.21 O ATOM 1899 CB ARG A 119 -2.658 -6.448 -9.180 1.00 0.20 C ATOM 1900 CG ARG A 119 -1.669 -6.488 -8.013 1.00 0.29 C ATOM 1901 CD ARG A 119 -1.230 -7.932 -7.764 1.00 0.51 C ATOM 1902 NE ARG A 119 -0.671 -8.504 -9.021 1.00 0.89 N ATOM 1903 CZ ARG A 119 0.033 -9.603 -8.981 1.00 0.87 C ATOM 1904 NH1 ARG A 119 0.245 -10.200 -7.840 1.00 0.62 N ATOM 1905 NH2 ARG A 119 0.522 -10.104 -10.082 1.00 1.90 N ATOM 0 H ARG A 119 -0.970 -4.674 -9.632 1.00 0.21 H new ATOM 0 HA ARG A 119 -3.694 -4.961 -10.344 1.00 0.17 H new ATOM 0 HB2 ARG A 119 -3.536 -7.050 -8.947 1.00 0.20 H new ATOM 0 HB3 ARG A 119 -2.203 -6.880 -10.071 1.00 0.20 H new ATOM 0 HG2 ARG A 119 -0.802 -5.867 -8.236 1.00 0.29 H new ATOM 0 HG3 ARG A 119 -2.132 -6.078 -7.116 1.00 0.29 H new ATOM 0 HD2 ARG A 119 -0.481 -7.965 -6.972 1.00 0.51 H new ATOM 0 HD3 ARG A 119 -2.078 -8.528 -7.426 1.00 0.51 H new ATOM 0 HE ARG A 119 -0.838 -8.037 -9.912 1.00 0.89 H new ATOM 0 HH11 ARG A 119 -0.139 -9.808 -6.980 1.00 0.62 H new ATOM 0 HH12 ARG A 119 0.795 -11.059 -7.808 1.00 0.62 H new ATOM 0 HH21 ARG A 119 0.354 -9.637 -10.973 1.00 1.90 H new ATOM 0 HH22 ARG A 119 1.072 -10.962 -10.051 1.00 1.90 H new ATOM 1919 N LEU A 120 -3.182 -3.926 -7.277 1.00 0.18 N ATOM 1920 CA LEU A 120 -3.895 -3.385 -6.085 1.00 0.21 C ATOM 1921 C LEU A 120 -4.687 -2.141 -6.495 1.00 0.15 C ATOM 1922 O LEU A 120 -5.893 -2.088 -6.358 1.00 0.16 O ATOM 1923 CB LEU A 120 -2.871 -3.013 -5.008 1.00 0.30 C ATOM 1924 CG LEU A 120 -3.553 -2.950 -3.636 1.00 0.36 C ATOM 1925 CD1 LEU A 120 -2.501 -2.683 -2.558 1.00 0.47 C ATOM 1926 CD2 LEU A 120 -4.591 -1.824 -3.617 1.00 0.29 C ATOM 0 H LEU A 120 -2.166 -3.839 -7.253 1.00 0.18 H new ATOM 0 HA LEU A 120 -4.578 -4.137 -5.689 1.00 0.21 H new ATOM 0 HB2 LEU A 120 -2.066 -3.748 -4.990 1.00 0.30 H new ATOM 0 HB3 LEU A 120 -2.418 -2.050 -5.243 1.00 0.30 H new ATOM 0 HG LEU A 120 -4.050 -3.900 -3.442 1.00 0.36 H new ATOM 0 HD11 LEU A 120 -2.984 -2.638 -1.582 1.00 0.47 H new ATOM 0 HD12 LEU A 120 -1.764 -3.486 -2.562 1.00 0.47 H new ATOM 0 HD13 LEU A 120 -2.004 -1.734 -2.761 1.00 0.47 H new ATOM 0 HD21 LEU A 120 -5.070 -1.787 -2.639 1.00 0.29 H new ATOM 0 HD22 LEU A 120 -4.099 -0.872 -3.816 1.00 0.29 H new ATOM 0 HD23 LEU A 120 -5.344 -2.010 -4.383 1.00 0.29 H new ATOM 1938 N LYS A 121 -4.017 -1.138 -6.995 1.00 0.19 N ATOM 1939 CA LYS A 121 -4.732 0.100 -7.413 1.00 0.23 C ATOM 1940 C LYS A 121 -5.951 -0.276 -8.259 1.00 0.21 C ATOM 1941 O LYS A 121 -7.021 0.279 -8.105 1.00 0.27 O ATOM 1942 CB LYS A 121 -3.791 0.980 -8.237 1.00 0.32 C ATOM 1943 CG LYS A 121 -4.469 2.320 -8.531 1.00 0.38 C ATOM 1944 CD LYS A 121 -3.539 3.188 -9.380 1.00 0.75 C ATOM 1945 CE LYS A 121 -3.813 2.932 -10.863 1.00 0.19 C ATOM 1946 NZ LYS A 121 -5.208 3.344 -11.187 1.00 1.48 N ATOM 0 H LYS A 121 -3.006 -1.123 -7.132 1.00 0.19 H new ATOM 0 HA LYS A 121 -5.058 0.647 -6.528 1.00 0.23 H new ATOM 0 HB2 LYS A 121 -2.860 1.143 -7.694 1.00 0.32 H new ATOM 0 HB3 LYS A 121 -3.532 0.479 -9.170 1.00 0.32 H new ATOM 0 HG2 LYS A 121 -5.410 2.156 -9.056 1.00 0.38 H new ATOM 0 HG3 LYS A 121 -4.709 2.830 -7.598 1.00 0.38 H new ATOM 0 HD2 LYS A 121 -3.695 4.241 -9.147 1.00 0.75 H new ATOM 0 HD3 LYS A 121 -2.499 2.960 -9.147 1.00 0.75 H new ATOM 0 HE2 LYS A 121 -3.106 3.490 -11.476 1.00 0.19 H new ATOM 0 HE3 LYS A 121 -3.671 1.876 -11.093 1.00 0.19 H new ATOM 0 HZ1 LYS A 121 -5.236 3.753 -12.143 1.00 1.48 H new ATOM 0 HZ2 LYS A 121 -5.833 2.514 -11.147 1.00 1.48 H new ATOM 0 HZ3 LYS A 121 -5.529 4.053 -10.498 1.00 1.48 H new ATOM 1960 N THR A 122 -5.797 -1.215 -9.153 1.00 0.17 N ATOM 1961 CA THR A 122 -6.946 -1.624 -10.007 1.00 0.19 C ATOM 1962 C THR A 122 -8.038 -2.241 -9.131 1.00 0.19 C ATOM 1963 O THR A 122 -9.198 -1.891 -9.229 1.00 0.24 O ATOM 1964 CB THR A 122 -6.475 -2.655 -11.036 1.00 0.18 C ATOM 1965 OG1 THR A 122 -5.222 -2.251 -11.568 1.00 0.20 O ATOM 1966 CG2 THR A 122 -7.501 -2.758 -12.165 1.00 0.35 C ATOM 0 H THR A 122 -4.926 -1.715 -9.328 1.00 0.17 H new ATOM 0 HA THR A 122 -7.344 -0.750 -10.523 1.00 0.19 H new ATOM 0 HB THR A 122 -6.370 -3.627 -10.555 1.00 0.18 H new ATOM 0 HG1 THR A 122 -4.510 -2.472 -10.932 1.00 0.20 H new ATOM 0 HG21 THR A 122 -7.164 -3.492 -12.897 1.00 0.35 H new ATOM 0 HG22 THR A 122 -8.462 -3.068 -11.756 1.00 0.35 H new ATOM 0 HG23 THR A 122 -7.609 -1.787 -12.648 1.00 0.35 H new ATOM 1974 N ILE A 123 -7.678 -3.156 -8.273 1.00 0.14 N ATOM 1975 CA ILE A 123 -8.696 -3.794 -7.391 1.00 0.18 C ATOM 1976 C ILE A 123 -9.547 -2.709 -6.729 1.00 0.23 C ATOM 1977 O ILE A 123 -10.756 -2.812 -6.657 1.00 0.30 O ATOM 1978 CB ILE A 123 -7.992 -4.619 -6.313 1.00 0.16 C ATOM 1979 CG1 ILE A 123 -7.490 -5.930 -6.922 1.00 0.12 C ATOM 1980 CG2 ILE A 123 -8.974 -4.927 -5.182 1.00 0.23 C ATOM 1981 CD1 ILE A 123 -6.389 -6.516 -6.036 1.00 0.15 C ATOM 0 H ILE A 123 -6.723 -3.489 -8.145 1.00 0.14 H new ATOM 0 HA ILE A 123 -9.336 -4.446 -7.986 1.00 0.18 H new ATOM 0 HB ILE A 123 -7.148 -4.054 -5.917 1.00 0.16 H new ATOM 0 HG12 ILE A 123 -8.313 -6.639 -7.014 1.00 0.12 H new ATOM 0 HG13 ILE A 123 -7.107 -5.753 -7.927 1.00 0.12 H new ATOM 0 HG21 ILE A 123 -8.472 -5.515 -4.414 1.00 0.23 H new ATOM 0 HG22 ILE A 123 -9.333 -3.994 -4.748 1.00 0.23 H new ATOM 0 HG23 ILE A 123 -9.818 -5.492 -5.577 1.00 0.23 H new ATOM 0 HD11 ILE A 123 -6.031 -7.450 -6.470 1.00 0.15 H new ATOM 0 HD12 ILE A 123 -5.563 -5.808 -5.966 1.00 0.15 H new ATOM 0 HD13 ILE A 123 -6.787 -6.708 -5.040 1.00 0.15 H new ATOM 1993 N MET A 124 -8.926 -1.668 -6.244 1.00 0.21 N ATOM 1994 CA MET A 124 -9.701 -0.578 -5.588 1.00 0.27 C ATOM 1995 C MET A 124 -10.720 -0.009 -6.578 1.00 0.36 C ATOM 1996 O MET A 124 -11.912 -0.038 -6.342 1.00 0.46 O ATOM 1997 CB MET A 124 -8.745 0.532 -5.145 1.00 0.17 C ATOM 1998 CG MET A 124 -7.894 0.036 -3.975 1.00 0.19 C ATOM 1999 SD MET A 124 -6.512 1.173 -3.710 1.00 2.29 S ATOM 2000 CE MET A 124 -6.546 1.153 -1.901 1.00 1.39 C ATOM 0 H MET A 124 -7.916 -1.526 -6.274 1.00 0.21 H new ATOM 0 HA MET A 124 -10.223 -0.976 -4.718 1.00 0.27 H new ATOM 0 HB2 MET A 124 -8.104 0.827 -5.976 1.00 0.17 H new ATOM 0 HB3 MET A 124 -9.310 1.416 -4.849 1.00 0.17 H new ATOM 0 HG2 MET A 124 -8.501 -0.032 -3.072 1.00 0.19 H new ATOM 0 HG3 MET A 124 -7.520 -0.966 -4.183 1.00 0.19 H new ATOM 0 HE1 MET A 124 -5.716 1.744 -1.515 1.00 1.39 H new ATOM 0 HE2 MET A 124 -7.487 1.576 -1.550 1.00 1.39 H new ATOM 0 HE3 MET A 124 -6.456 0.126 -1.547 1.00 1.39 H new ATOM 2010 N ARG A 125 -10.261 0.508 -7.684 1.00 0.38 N ATOM 2011 CA ARG A 125 -11.202 1.079 -8.687 1.00 0.51 C ATOM 2012 C ARG A 125 -12.324 0.074 -8.962 1.00 0.56 C ATOM 2013 O ARG A 125 -13.411 0.438 -9.367 1.00 0.67 O ATOM 2014 CB ARG A 125 -10.450 1.370 -9.986 1.00 0.52 C ATOM 2015 CG ARG A 125 -11.215 2.418 -10.797 1.00 1.18 C ATOM 2016 CD ARG A 125 -10.656 3.808 -10.492 1.00 0.98 C ATOM 2017 NE ARG A 125 -11.448 4.834 -11.226 1.00 1.69 N ATOM 2018 CZ ARG A 125 -11.351 6.093 -10.895 1.00 2.28 C ATOM 2019 NH1 ARG A 125 -10.561 6.452 -9.921 1.00 2.54 N ATOM 2020 NH2 ARG A 125 -12.046 6.992 -11.538 1.00 2.88 N ATOM 0 H ARG A 125 -9.274 0.560 -7.936 1.00 0.38 H new ATOM 0 HA ARG A 125 -11.628 2.004 -8.300 1.00 0.51 H new ATOM 0 HB2 ARG A 125 -9.445 1.729 -9.764 1.00 0.52 H new ATOM 0 HB3 ARG A 125 -10.340 0.455 -10.567 1.00 0.52 H new ATOM 0 HG2 ARG A 125 -11.126 2.205 -11.862 1.00 1.18 H new ATOM 0 HG3 ARG A 125 -12.276 2.379 -10.552 1.00 1.18 H new ATOM 0 HD2 ARG A 125 -10.696 4.001 -9.420 1.00 0.98 H new ATOM 0 HD3 ARG A 125 -9.608 3.863 -10.787 1.00 0.98 H new ATOM 0 HE ARG A 125 -12.066 4.553 -11.987 1.00 1.69 H new ATOM 0 HH11 ARG A 125 -10.019 5.749 -9.418 1.00 2.54 H new ATOM 0 HH12 ARG A 125 -10.485 7.436 -9.662 1.00 2.54 H new ATOM 0 HH21 ARG A 125 -12.664 6.710 -12.299 1.00 2.88 H new ATOM 0 HH22 ARG A 125 -11.970 7.976 -11.280 1.00 2.88 H new ATOM 2034 N GLU A 126 -12.070 -1.187 -8.746 1.00 0.49 N ATOM 2035 CA GLU A 126 -13.122 -2.212 -8.995 1.00 0.56 C ATOM 2036 C GLU A 126 -14.084 -2.255 -7.807 1.00 0.54 C ATOM 2037 O GLU A 126 -15.270 -2.032 -7.946 1.00 0.67 O ATOM 2038 CB GLU A 126 -12.466 -3.584 -9.172 1.00 0.60 C ATOM 2039 CG GLU A 126 -13.136 -4.325 -10.329 1.00 0.88 C ATOM 2040 CD GLU A 126 -14.641 -4.418 -10.075 1.00 2.25 C ATOM 2041 OE1 GLU A 126 -15.018 -4.608 -8.930 1.00 2.85 O ATOM 2042 OE2 GLU A 126 -15.393 -4.297 -11.029 1.00 3.37 O ATOM 0 H GLU A 126 -11.180 -1.552 -8.408 1.00 0.49 H new ATOM 0 HA GLU A 126 -13.674 -1.954 -9.899 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -11.401 -3.466 -9.370 1.00 0.60 H new ATOM 0 HB3 GLU A 126 -12.557 -4.164 -8.253 1.00 0.60 H new ATOM 0 HG2 GLU A 126 -12.947 -3.803 -11.267 1.00 0.88 H new ATOM 0 HG3 GLU A 126 -12.711 -5.324 -10.429 1.00 0.88 H new ATOM 2049 N LYS A 127 -13.583 -2.543 -6.636 1.00 0.42 N ATOM 2050 CA LYS A 127 -14.469 -2.601 -5.440 1.00 0.40 C ATOM 2051 C LYS A 127 -14.986 -1.196 -5.120 1.00 0.37 C ATOM 2052 O LYS A 127 -15.879 -1.021 -4.314 1.00 0.35 O ATOM 2053 CB LYS A 127 -13.679 -3.138 -4.245 1.00 0.41 C ATOM 2054 CG LYS A 127 -13.129 -4.526 -4.579 1.00 0.37 C ATOM 2055 CD LYS A 127 -13.118 -5.390 -3.316 1.00 0.43 C ATOM 2056 CE LYS A 127 -12.348 -6.683 -3.588 1.00 0.73 C ATOM 2057 NZ LYS A 127 -12.337 -6.956 -5.053 1.00 1.96 N ATOM 0 H LYS A 127 -12.598 -2.740 -6.457 1.00 0.42 H new ATOM 0 HA LYS A 127 -15.312 -3.261 -5.644 1.00 0.40 H new ATOM 0 HB2 LYS A 127 -12.861 -2.460 -4.002 1.00 0.41 H new ATOM 0 HB3 LYS A 127 -14.321 -3.191 -3.366 1.00 0.41 H new ATOM 0 HG2 LYS A 127 -13.742 -4.996 -5.348 1.00 0.37 H new ATOM 0 HG3 LYS A 127 -12.120 -4.441 -4.983 1.00 0.37 H new ATOM 0 HD2 LYS A 127 -12.655 -4.845 -2.494 1.00 0.43 H new ATOM 0 HD3 LYS A 127 -14.139 -5.620 -3.011 1.00 0.43 H new ATOM 0 HE2 LYS A 127 -11.327 -6.596 -3.216 1.00 0.73 H new ATOM 0 HE3 LYS A 127 -12.812 -7.514 -3.056 1.00 0.73 H new ATOM 0 HZ1 LYS A 127 -11.950 -7.906 -5.226 1.00 1.96 H new ATOM 0 HZ2 LYS A 127 -13.308 -6.905 -5.423 1.00 1.96 H new ATOM 0 HZ3 LYS A 127 -11.746 -6.248 -5.534 1.00 1.96 H new ATOM 2071 N TYR A 128 -14.430 -0.193 -5.743 1.00 0.36 N ATOM 2072 CA TYR A 128 -14.890 1.198 -5.473 1.00 0.33 C ATOM 2073 C TYR A 128 -16.316 1.376 -6.000 1.00 0.31 C ATOM 2074 O TYR A 128 -16.905 2.432 -5.883 1.00 0.21 O ATOM 2075 CB TYR A 128 -13.960 2.189 -6.176 1.00 0.35 C ATOM 2076 CG TYR A 128 -14.379 3.600 -5.838 1.00 0.38 C ATOM 2077 CD1 TYR A 128 -14.069 4.140 -4.584 1.00 0.37 C ATOM 2078 CD2 TYR A 128 -15.075 4.368 -6.778 1.00 0.41 C ATOM 2079 CE1 TYR A 128 -14.457 5.448 -4.270 1.00 0.40 C ATOM 2080 CE2 TYR A 128 -15.462 5.676 -6.465 1.00 0.44 C ATOM 2081 CZ TYR A 128 -15.154 6.216 -5.211 1.00 0.43 C ATOM 2082 OH TYR A 128 -15.536 7.505 -4.902 1.00 0.46 O ATOM 0 H TYR A 128 -13.678 -0.277 -6.427 1.00 0.36 H new ATOM 0 HA TYR A 128 -14.874 1.383 -4.399 1.00 0.33 H new ATOM 0 HB2 TYR A 128 -12.929 2.020 -5.865 1.00 0.35 H new ATOM 0 HB3 TYR A 128 -13.997 2.036 -7.255 1.00 0.35 H new ATOM 0 HD1 TYR A 128 -13.531 3.548 -3.859 1.00 0.37 H new ATOM 0 HD2 TYR A 128 -15.314 3.951 -7.745 1.00 0.41 H new ATOM 0 HE1 TYR A 128 -14.219 5.865 -3.302 1.00 0.40 H new ATOM 0 HE2 TYR A 128 -15.998 6.269 -7.191 1.00 0.44 H new ATOM 0 HH TYR A 128 -16.009 7.898 -5.665 1.00 0.46 H new ATOM 2092 N SER A 129 -16.875 0.350 -6.582 1.00 0.42 N ATOM 2093 CA SER A 129 -18.262 0.461 -7.116 1.00 0.41 C ATOM 2094 C SER A 129 -19.256 0.483 -5.954 1.00 0.30 C ATOM 2095 O SER A 129 -19.254 -0.387 -5.105 1.00 0.37 O ATOM 2096 CB SER A 129 -18.558 -0.738 -8.018 1.00 0.60 C ATOM 2097 OG SER A 129 -19.733 -1.393 -7.556 1.00 0.53 O ATOM 0 H SER A 129 -16.431 -0.559 -6.711 1.00 0.42 H new ATOM 0 HA SER A 129 -18.357 1.381 -7.692 1.00 0.41 H new ATOM 0 HB2 SER A 129 -18.692 -0.409 -9.048 1.00 0.60 H new ATOM 0 HB3 SER A 129 -17.716 -1.430 -8.012 1.00 0.60 H new ATOM 0 HG SER A 129 -19.927 -2.162 -8.132 1.00 0.53 H new ATOM 2103 N LYS A 130 -20.106 1.472 -5.906 1.00 0.64 N ATOM 2104 CA LYS A 130 -21.099 1.548 -4.798 1.00 0.60 C ATOM 2105 C LYS A 130 -22.044 2.727 -5.040 1.00 0.51 C ATOM 2106 O LYS A 130 -22.794 2.747 -5.996 1.00 0.60 O ATOM 2107 CB LYS A 130 -20.366 1.748 -3.470 1.00 0.52 C ATOM 2108 CG LYS A 130 -19.310 2.843 -3.628 1.00 0.34 C ATOM 2109 CD LYS A 130 -19.231 3.667 -2.340 1.00 0.80 C ATOM 2110 CE LYS A 130 -18.149 4.739 -2.485 1.00 0.57 C ATOM 2111 NZ LYS A 130 -17.728 5.205 -1.134 1.00 1.24 N ATOM 0 H LYS A 130 -20.156 2.230 -6.586 1.00 0.64 H new ATOM 0 HA LYS A 130 -21.674 0.623 -4.761 1.00 0.60 H new ATOM 0 HB2 LYS A 130 -21.075 2.022 -2.689 1.00 0.52 H new ATOM 0 HB3 LYS A 130 -19.894 0.816 -3.159 1.00 0.52 H new ATOM 0 HG2 LYS A 130 -18.340 2.398 -3.847 1.00 0.34 H new ATOM 0 HG3 LYS A 130 -19.563 3.488 -4.470 1.00 0.34 H new ATOM 0 HD2 LYS A 130 -20.195 4.133 -2.134 1.00 0.80 H new ATOM 0 HD3 LYS A 130 -19.004 3.018 -1.494 1.00 0.80 H new ATOM 0 HE2 LYS A 130 -17.293 4.336 -3.026 1.00 0.57 H new ATOM 0 HE3 LYS A 130 -18.529 5.578 -3.069 1.00 0.57 H new ATOM 0 HZ1 LYS A 130 -17.847 6.236 -1.070 1.00 1.24 H new ATOM 0 HZ2 LYS A 130 -18.314 4.743 -0.409 1.00 1.24 H new ATOM 0 HZ3 LYS A 130 -16.729 4.961 -0.978 1.00 1.24 H new ATOM 2125 N CYS A 131 -22.015 3.709 -4.181 1.00 0.36 N ATOM 2126 CA CYS A 131 -22.912 4.885 -4.364 1.00 0.32 C ATOM 2127 C CYS A 131 -22.314 5.825 -5.412 1.00 0.44 C ATOM 2128 O CYS A 131 -22.813 6.909 -5.644 1.00 0.74 O ATOM 2129 CB CYS A 131 -23.055 5.628 -3.034 1.00 0.13 C ATOM 2130 SG CYS A 131 -22.024 7.116 -3.062 1.00 1.15 S ATOM 0 H CYS A 131 -21.410 3.748 -3.361 1.00 0.36 H new ATOM 0 HA CYS A 131 -23.892 4.546 -4.698 1.00 0.32 H new ATOM 0 HB2 CYS A 131 -24.098 5.898 -2.866 1.00 0.13 H new ATOM 0 HB3 CYS A 131 -22.756 4.981 -2.209 1.00 0.13 H new ATOM 2135 N SER A 132 -21.250 5.419 -6.049 1.00 0.40 N ATOM 2136 CA SER A 132 -20.622 6.291 -7.081 1.00 0.52 C ATOM 2137 C SER A 132 -20.005 5.419 -8.177 1.00 0.77 C ATOM 2138 O SER A 132 -18.829 5.509 -8.467 1.00 1.55 O ATOM 2139 CB SER A 132 -19.530 7.142 -6.433 1.00 1.05 C ATOM 2140 OG SER A 132 -20.134 8.153 -5.636 1.00 2.23 O ATOM 0 H SER A 132 -20.789 4.522 -5.899 1.00 0.40 H new ATOM 0 HA SER A 132 -21.380 6.942 -7.517 1.00 0.52 H new ATOM 0 HB2 SER A 132 -18.882 6.517 -5.819 1.00 1.05 H new ATOM 0 HB3 SER A 132 -18.902 7.594 -7.200 1.00 1.05 H new ATOM 0 HG SER A 132 -20.552 7.744 -4.850 1.00 2.23 H new ATOM 2146 N SER A 133 -20.791 4.575 -8.789 1.00 0.52 N ATOM 2147 CA SER A 133 -20.249 3.699 -9.866 1.00 1.09 C ATOM 2148 C SER A 133 -20.267 4.455 -11.196 1.00 1.11 C ATOM 2149 O SER A 133 -21.351 4.733 -11.682 1.00 0.84 O ATOM 2150 CB SER A 133 -21.111 2.442 -9.982 1.00 1.38 C ATOM 2151 OG SER A 133 -20.906 1.849 -11.258 1.00 2.39 O ATOM 2152 OXT SER A 133 -19.196 4.744 -11.705 1.00 2.02 O ATOM 0 H SER A 133 -21.784 4.455 -8.590 1.00 0.52 H new ATOM 0 HA SER A 133 -19.225 3.416 -9.623 1.00 1.09 H new ATOM 0 HB2 SER A 133 -20.852 1.735 -9.194 1.00 1.38 H new ATOM 0 HB3 SER A 133 -22.163 2.695 -9.850 1.00 1.38 H new ATOM 0 HG SER A 133 -21.456 1.042 -11.336 1.00 2.39 H new TER 2158 SER A 133