USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1005 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 111 SER OG : rot 153:sc= 0.796 USER MOD Set 1.2: A 115 ASN :FLIP amide:sc= 0.932 F(o=0.29,f=1.7) USER MOD Set 2.1: A 73 THR OG1 : rot 52:sc= -1.21 USER MOD Set 2.2: A 75 GLN : amide:sc= -1.33 K(o=-2.5,f=-4.1) USER MOD Set 3.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 43 THR OG1 : rot 21:sc= 0.992 USER MOD Single : A 7 CYS SG : rot 58:sc= 0.121 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00275 USER MOD Single : A 12 GLN : amide:sc= -0.0991 K(o=-0.099,f=-2.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 89:sc= 1.14 USER MOD Single : A 19 ASN : amide:sc= -0.274 K(o=-0.27,f=-3.5!) USER MOD Single : A 20 SER OG : rot 69:sc= 0.472 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.661 K(o=-0.66,f=-3.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= -0.292 (180deg=-0.292) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -162:sc= 0.864 USER MOD Single : A 32 THR OG1 : rot 43:sc= 0.415 USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc=0.000594 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 156:sc= 0.569 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0922 K(o=-0.092,f=-1) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -3.83! C(o=-3.8!,f=-3.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -3.72! C(o=-3.7!,f=-11!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HE2:sc= -2 K(o=-2,f=-3.3!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.5!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0812 USER MOD Single : A 106 LYS NZ :NH3+ 159:sc= -0.0268 (180deg=-0.265) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 THR OG1 : rot 23:sc= 0.501 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -77:sc= -1.23 USER MOD Single : A 124 MET CE :methyl 156:sc= -8.58! (180deg=-11.3!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N CYS A 7 -18.222 6.807 0.955 1.00 1.62 N ATOM 93 CA CYS A 7 -16.808 6.358 1.112 1.00 1.23 C ATOM 94 C CYS A 7 -15.996 6.709 -0.145 1.00 1.14 C ATOM 95 O CYS A 7 -14.805 6.476 -0.202 1.00 1.48 O ATOM 96 CB CYS A 7 -16.782 4.841 1.316 1.00 1.76 C ATOM 97 SG CYS A 7 -16.432 4.025 -0.263 1.00 1.52 S ATOM 0 HA CYS A 7 -16.369 6.861 1.973 1.00 1.23 H new ATOM 0 HB2 CYS A 7 -16.022 4.575 2.051 1.00 1.76 H new ATOM 0 HB3 CYS A 7 -17.740 4.500 1.709 1.00 1.76 H new ATOM 0 HG CYS A 7 -15.294 4.449 -0.728 1.00 1.52 H new ATOM 102 N ASP A 8 -16.623 7.260 -1.154 1.00 1.45 N ATOM 103 CA ASP A 8 -15.880 7.611 -2.396 1.00 1.92 C ATOM 104 C ASP A 8 -14.837 8.688 -2.100 1.00 1.61 C ATOM 105 O ASP A 8 -13.831 8.782 -2.765 1.00 1.48 O ATOM 106 CB ASP A 8 -16.866 8.147 -3.428 1.00 2.60 C ATOM 107 CG ASP A 8 -17.257 9.580 -3.061 1.00 0.94 C ATOM 108 OD1 ASP A 8 -17.888 9.754 -2.032 1.00 1.30 O ATOM 109 OD2 ASP A 8 -16.917 10.477 -3.814 1.00 0.91 O ATOM 0 H ASP A 8 -17.619 7.481 -1.168 1.00 1.45 H new ATOM 0 HA ASP A 8 -15.378 6.721 -2.776 1.00 1.92 H new ATOM 0 HB2 ASP A 8 -16.418 8.124 -4.421 1.00 2.60 H new ATOM 0 HB3 ASP A 8 -17.753 7.514 -3.463 1.00 2.60 H new ATOM 114 N ILE A 9 -15.081 9.514 -1.125 1.00 1.59 N ATOM 115 CA ILE A 9 -14.109 10.602 -0.803 1.00 1.40 C ATOM 116 C ILE A 9 -12.773 10.016 -0.330 1.00 1.21 C ATOM 117 O ILE A 9 -11.755 10.168 -0.973 1.00 1.18 O ATOM 118 CB ILE A 9 -14.684 11.485 0.306 1.00 1.71 C ATOM 119 CG1 ILE A 9 -15.876 12.278 -0.235 1.00 1.97 C ATOM 120 CG2 ILE A 9 -13.606 12.454 0.796 1.00 1.37 C ATOM 121 CD1 ILE A 9 -15.385 13.601 -0.825 1.00 1.45 C ATOM 0 H ILE A 9 -15.912 9.486 -0.534 1.00 1.59 H new ATOM 0 HA ILE A 9 -13.938 11.190 -1.705 1.00 1.40 H new ATOM 0 HB ILE A 9 -15.013 10.858 1.134 1.00 1.71 H new ATOM 0 HG12 ILE A 9 -16.396 11.698 -0.998 1.00 1.97 H new ATOM 0 HG13 ILE A 9 -16.593 12.468 0.564 1.00 1.97 H new ATOM 0 HG21 ILE A 9 -14.015 13.084 1.586 1.00 1.37 H new ATOM 0 HG22 ILE A 9 -12.758 11.889 1.184 1.00 1.37 H new ATOM 0 HG23 ILE A 9 -13.276 13.080 -0.033 1.00 1.37 H new ATOM 0 HD11 ILE A 9 -16.234 14.165 -1.210 1.00 1.45 H new ATOM 0 HD12 ILE A 9 -14.885 14.182 -0.050 1.00 1.45 H new ATOM 0 HD13 ILE A 9 -14.685 13.400 -1.636 1.00 1.45 H new ATOM 133 N THR A 10 -12.764 9.371 0.803 1.00 1.10 N ATOM 134 CA THR A 10 -11.490 8.802 1.334 1.00 0.92 C ATOM 135 C THR A 10 -10.866 7.828 0.331 1.00 0.76 C ATOM 136 O THR A 10 -9.661 7.697 0.255 1.00 0.67 O ATOM 137 CB THR A 10 -11.778 8.060 2.638 1.00 0.98 C ATOM 138 OG1 THR A 10 -12.561 8.887 3.489 1.00 1.25 O ATOM 139 CG2 THR A 10 -10.459 7.712 3.332 1.00 0.64 C ATOM 0 H THR A 10 -13.585 9.212 1.387 1.00 1.10 H new ATOM 0 HA THR A 10 -10.790 9.619 1.507 1.00 0.92 H new ATOM 0 HB THR A 10 -12.324 7.142 2.421 1.00 0.98 H new ATOM 0 HG1 THR A 10 -12.748 8.412 4.325 1.00 1.25 H new ATOM 0 HG21 THR A 10 -10.666 7.183 4.262 1.00 0.64 H new ATOM 0 HG22 THR A 10 -9.861 7.077 2.679 1.00 0.64 H new ATOM 0 HG23 THR A 10 -9.910 8.628 3.550 1.00 0.64 H new ATOM 147 N LEU A 11 -11.666 7.123 -0.417 1.00 0.79 N ATOM 148 CA LEU A 11 -11.102 6.140 -1.387 1.00 0.71 C ATOM 149 C LEU A 11 -10.541 6.850 -2.627 1.00 0.56 C ATOM 150 O LEU A 11 -9.680 6.328 -3.304 1.00 0.63 O ATOM 151 CB LEU A 11 -12.196 5.159 -1.811 1.00 0.85 C ATOM 152 CG LEU A 11 -11.723 3.727 -1.556 1.00 1.06 C ATOM 153 CD1 LEU A 11 -11.441 3.534 -0.063 1.00 0.74 C ATOM 154 CD2 LEU A 11 -12.811 2.746 -1.997 1.00 1.44 C ATOM 0 H LEU A 11 -12.684 7.183 -0.400 1.00 0.79 H new ATOM 0 HA LEU A 11 -10.288 5.603 -0.901 1.00 0.71 H new ATOM 0 HB2 LEU A 11 -13.112 5.356 -1.253 1.00 0.85 H new ATOM 0 HB3 LEU A 11 -12.431 5.293 -2.867 1.00 0.85 H new ATOM 0 HG LEU A 11 -10.811 3.543 -2.123 1.00 1.06 H new ATOM 0 HD11 LEU A 11 -11.104 2.513 0.115 1.00 0.74 H new ATOM 0 HD12 LEU A 11 -10.666 4.232 0.254 1.00 0.74 H new ATOM 0 HD13 LEU A 11 -12.352 3.720 0.506 1.00 0.74 H new ATOM 0 HD21 LEU A 11 -12.475 1.725 -1.816 1.00 1.44 H new ATOM 0 HD22 LEU A 11 -13.722 2.934 -1.430 1.00 1.44 H new ATOM 0 HD23 LEU A 11 -13.011 2.879 -3.060 1.00 1.44 H new ATOM 166 N GLN A 12 -11.010 8.028 -2.938 1.00 0.35 N ATOM 167 CA GLN A 12 -10.478 8.735 -4.141 1.00 0.22 C ATOM 168 C GLN A 12 -9.115 9.339 -3.804 1.00 0.11 C ATOM 169 O GLN A 12 -8.225 9.390 -4.631 1.00 0.38 O ATOM 170 CB GLN A 12 -11.449 9.838 -4.584 1.00 0.25 C ATOM 171 CG GLN A 12 -11.091 11.159 -3.900 1.00 0.86 C ATOM 172 CD GLN A 12 -12.254 12.143 -4.050 1.00 1.52 C ATOM 173 OE1 GLN A 12 -13.395 11.740 -4.162 1.00 1.68 O ATOM 174 NE2 GLN A 12 -12.010 13.424 -4.058 1.00 2.33 N ATOM 0 H GLN A 12 -11.731 8.528 -2.418 1.00 0.35 H new ATOM 0 HA GLN A 12 -10.370 8.024 -4.960 1.00 0.22 H new ATOM 0 HB2 GLN A 12 -11.407 9.957 -5.667 1.00 0.25 H new ATOM 0 HB3 GLN A 12 -12.472 9.555 -4.334 1.00 0.25 H new ATOM 0 HG2 GLN A 12 -10.879 10.988 -2.845 1.00 0.86 H new ATOM 0 HG3 GLN A 12 -10.187 11.577 -4.343 1.00 0.86 H new ATOM 0 HE21 GLN A 12 -11.052 13.761 -3.964 1.00 2.33 H new ATOM 0 HE22 GLN A 12 -12.777 14.089 -4.158 1.00 2.33 H new ATOM 183 N GLU A 13 -8.938 9.779 -2.591 1.00 0.29 N ATOM 184 CA GLU A 13 -7.625 10.359 -2.197 1.00 0.37 C ATOM 185 C GLU A 13 -6.643 9.212 -1.956 1.00 0.30 C ATOM 186 O GLU A 13 -5.458 9.329 -2.197 1.00 0.38 O ATOM 187 CB GLU A 13 -7.787 11.175 -0.914 1.00 0.56 C ATOM 188 CG GLU A 13 -6.719 12.269 -0.864 1.00 0.69 C ATOM 189 CD GLU A 13 -6.298 12.504 0.588 1.00 1.90 C ATOM 190 OE1 GLU A 13 -6.153 11.529 1.308 1.00 2.99 O ATOM 191 OE2 GLU A 13 -6.129 13.655 0.956 1.00 2.04 O ATOM 0 H GLU A 13 -9.645 9.762 -1.856 1.00 0.29 H new ATOM 0 HA GLU A 13 -7.252 11.012 -2.986 1.00 0.37 H new ATOM 0 HB2 GLU A 13 -8.781 11.621 -0.878 1.00 0.56 H new ATOM 0 HB3 GLU A 13 -7.697 10.525 -0.044 1.00 0.56 H new ATOM 0 HG2 GLU A 13 -5.855 11.977 -1.462 1.00 0.69 H new ATOM 0 HG3 GLU A 13 -7.108 13.192 -1.295 1.00 0.69 H new ATOM 198 N ILE A 14 -7.137 8.100 -1.485 1.00 0.25 N ATOM 199 CA ILE A 14 -6.253 6.933 -1.227 1.00 0.19 C ATOM 200 C ILE A 14 -5.786 6.351 -2.565 1.00 0.08 C ATOM 201 O ILE A 14 -4.701 5.814 -2.672 1.00 0.13 O ATOM 202 CB ILE A 14 -7.038 5.882 -0.435 1.00 0.25 C ATOM 203 CG1 ILE A 14 -6.536 5.861 1.009 1.00 0.31 C ATOM 204 CG2 ILE A 14 -6.853 4.499 -1.063 1.00 0.23 C ATOM 205 CD1 ILE A 14 -7.702 5.549 1.949 1.00 0.46 C ATOM 0 H ILE A 14 -8.122 7.951 -1.267 1.00 0.25 H new ATOM 0 HA ILE A 14 -5.380 7.239 -0.650 1.00 0.19 H new ATOM 0 HB ILE A 14 -8.098 6.137 -0.454 1.00 0.25 H new ATOM 0 HG12 ILE A 14 -5.753 5.111 1.122 1.00 0.31 H new ATOM 0 HG13 ILE A 14 -6.095 6.824 1.266 1.00 0.31 H new ATOM 0 HG21 ILE A 14 -7.416 3.761 -0.491 1.00 0.23 H new ATOM 0 HG22 ILE A 14 -7.216 4.515 -2.091 1.00 0.23 H new ATOM 0 HG23 ILE A 14 -5.796 4.234 -1.055 1.00 0.23 H new ATOM 0 HD11 ILE A 14 -7.345 5.534 2.979 1.00 0.46 H new ATOM 0 HD12 ILE A 14 -8.470 6.315 1.842 1.00 0.46 H new ATOM 0 HD13 ILE A 14 -8.123 4.576 1.696 1.00 0.46 H new ATOM 217 N ILE A 15 -6.591 6.460 -3.587 1.00 0.09 N ATOM 218 CA ILE A 15 -6.184 5.921 -4.918 1.00 0.21 C ATOM 219 C ILE A 15 -5.091 6.812 -5.506 1.00 0.29 C ATOM 220 O ILE A 15 -4.049 6.342 -5.918 1.00 0.49 O ATOM 221 CB ILE A 15 -7.394 5.900 -5.857 1.00 0.27 C ATOM 222 CG1 ILE A 15 -7.965 4.480 -5.917 1.00 0.68 C ATOM 223 CG2 ILE A 15 -6.964 6.333 -7.260 1.00 0.49 C ATOM 224 CD1 ILE A 15 -8.647 4.145 -4.591 1.00 1.54 C ATOM 0 H ILE A 15 -7.512 6.898 -3.559 1.00 0.09 H new ATOM 0 HA ILE A 15 -5.805 4.906 -4.802 1.00 0.21 H new ATOM 0 HB ILE A 15 -8.154 6.586 -5.483 1.00 0.27 H new ATOM 0 HG12 ILE A 15 -8.680 4.399 -6.736 1.00 0.68 H new ATOM 0 HG13 ILE A 15 -7.167 3.765 -6.118 1.00 0.68 H new ATOM 0 HG21 ILE A 15 -7.827 6.317 -7.926 1.00 0.49 H new ATOM 0 HG22 ILE A 15 -6.555 7.343 -7.220 1.00 0.49 H new ATOM 0 HG23 ILE A 15 -6.203 5.648 -7.635 1.00 0.49 H new ATOM 0 HD11 ILE A 15 -9.053 3.134 -4.636 1.00 1.54 H new ATOM 0 HD12 ILE A 15 -7.920 4.209 -3.782 1.00 1.54 H new ATOM 0 HD13 ILE A 15 -9.456 4.853 -4.409 1.00 1.54 H new ATOM 236 N LYS A 16 -5.318 8.097 -5.545 1.00 0.22 N ATOM 237 CA LYS A 16 -4.286 9.017 -6.100 1.00 0.39 C ATOM 238 C LYS A 16 -2.962 8.791 -5.368 1.00 0.50 C ATOM 239 O LYS A 16 -1.897 8.878 -5.947 1.00 0.76 O ATOM 240 CB LYS A 16 -4.735 10.467 -5.907 1.00 0.44 C ATOM 241 CG LYS A 16 -5.132 11.064 -7.258 1.00 0.41 C ATOM 242 CD LYS A 16 -6.607 10.767 -7.532 1.00 1.23 C ATOM 243 CE LYS A 16 -7.463 11.936 -7.038 1.00 1.01 C ATOM 244 NZ LYS A 16 -8.789 11.901 -7.717 1.00 2.17 N ATOM 0 H LYS A 16 -6.172 8.548 -5.217 1.00 0.22 H new ATOM 0 HA LYS A 16 -4.155 8.819 -7.164 1.00 0.39 H new ATOM 0 HB2 LYS A 16 -5.578 10.509 -5.217 1.00 0.44 H new ATOM 0 HB3 LYS A 16 -3.930 11.052 -5.462 1.00 0.44 H new ATOM 0 HG2 LYS A 16 -4.961 12.140 -7.257 1.00 0.41 H new ATOM 0 HG3 LYS A 16 -4.512 10.644 -8.050 1.00 0.41 H new ATOM 0 HD2 LYS A 16 -6.766 10.612 -8.599 1.00 1.23 H new ATOM 0 HD3 LYS A 16 -6.903 9.847 -7.028 1.00 1.23 H new ATOM 0 HE2 LYS A 16 -7.594 11.874 -5.958 1.00 1.01 H new ATOM 0 HE3 LYS A 16 -6.961 12.881 -7.245 1.00 1.01 H new ATOM 0 HZ1 LYS A 16 -9.372 12.695 -7.382 1.00 2.17 H new ATOM 0 HZ2 LYS A 16 -8.655 11.980 -8.745 1.00 2.17 H new ATOM 0 HZ3 LYS A 16 -9.268 11.004 -7.498 1.00 2.17 H new ATOM 258 N THR A 17 -3.020 8.499 -4.098 1.00 0.34 N ATOM 259 CA THR A 17 -1.766 8.264 -3.328 1.00 0.42 C ATOM 260 C THR A 17 -1.134 6.944 -3.777 1.00 0.38 C ATOM 261 O THR A 17 0.072 6.819 -3.854 1.00 0.53 O ATOM 262 CB THR A 17 -2.090 8.194 -1.833 1.00 0.39 C ATOM 263 OG1 THR A 17 -3.075 9.168 -1.518 1.00 0.56 O ATOM 264 CG2 THR A 17 -0.822 8.467 -1.020 1.00 0.54 C ATOM 0 H THR A 17 -3.882 8.413 -3.560 1.00 0.34 H new ATOM 0 HA THR A 17 -1.068 9.082 -3.509 1.00 0.42 H new ATOM 0 HB THR A 17 -2.468 7.201 -1.589 1.00 0.39 H new ATOM 0 HG1 THR A 17 -3.967 8.781 -1.638 1.00 0.56 H new ATOM 0 HG21 THR A 17 -1.054 8.417 0.044 1.00 0.54 H new ATOM 0 HG22 THR A 17 -0.067 7.720 -1.262 1.00 0.54 H new ATOM 0 HG23 THR A 17 -0.441 9.459 -1.262 1.00 0.54 H new ATOM 272 N LEU A 18 -1.937 5.959 -4.077 1.00 0.27 N ATOM 273 CA LEU A 18 -1.372 4.654 -4.523 1.00 0.42 C ATOM 274 C LEU A 18 -0.477 4.888 -5.744 1.00 0.66 C ATOM 275 O LEU A 18 0.622 4.378 -5.831 1.00 0.84 O ATOM 276 CB LEU A 18 -2.512 3.700 -4.909 1.00 0.50 C ATOM 277 CG LEU A 18 -2.195 2.268 -4.448 1.00 0.47 C ATOM 278 CD1 LEU A 18 -3.029 1.277 -5.260 1.00 0.75 C ATOM 279 CD2 LEU A 18 -0.710 1.957 -4.664 1.00 1.54 C ATOM 0 H LEU A 18 -2.955 6.001 -4.033 1.00 0.27 H new ATOM 0 HA LEU A 18 -0.791 4.214 -3.713 1.00 0.42 H new ATOM 0 HB2 LEU A 18 -3.445 4.036 -4.456 1.00 0.50 H new ATOM 0 HB3 LEU A 18 -2.658 3.717 -5.989 1.00 0.50 H new ATOM 0 HG LEU A 18 -2.432 2.180 -3.388 1.00 0.47 H new ATOM 0 HD11 LEU A 18 -2.806 0.261 -4.935 1.00 0.75 H new ATOM 0 HD12 LEU A 18 -4.089 1.482 -5.107 1.00 0.75 H new ATOM 0 HD13 LEU A 18 -2.788 1.380 -6.318 1.00 0.75 H new ATOM 0 HD21 LEU A 18 -0.499 0.940 -4.333 1.00 1.54 H new ATOM 0 HD22 LEU A 18 -0.469 2.052 -5.723 1.00 1.54 H new ATOM 0 HD23 LEU A 18 -0.104 2.658 -4.090 1.00 1.54 H new ATOM 291 N ASN A 19 -0.946 5.656 -6.692 1.00 0.68 N ATOM 292 CA ASN A 19 -0.135 5.923 -7.915 1.00 0.92 C ATOM 293 C ASN A 19 1.100 6.752 -7.555 1.00 1.02 C ATOM 294 O ASN A 19 2.159 6.581 -8.126 1.00 1.20 O ATOM 295 CB ASN A 19 -0.984 6.691 -8.930 1.00 0.93 C ATOM 296 CG ASN A 19 -1.896 5.717 -9.678 1.00 0.63 C ATOM 297 OD1 ASN A 19 -1.846 4.524 -9.450 1.00 1.25 O ATOM 298 ND2 ASN A 19 -2.735 6.178 -10.566 1.00 1.10 N ATOM 0 H ASN A 19 -1.859 6.111 -6.671 1.00 0.68 H new ATOM 0 HA ASN A 19 0.185 4.974 -8.345 1.00 0.92 H new ATOM 0 HB2 ASN A 19 -1.582 7.447 -8.421 1.00 0.93 H new ATOM 0 HB3 ASN A 19 -0.340 7.216 -9.635 1.00 0.93 H new ATOM 0 HD21 ASN A 19 -3.349 5.537 -11.069 1.00 1.10 H new ATOM 0 HD22 ASN A 19 -2.777 7.179 -10.757 1.00 1.10 H new ATOM 305 N SER A 20 0.979 7.655 -6.621 1.00 0.96 N ATOM 306 CA SER A 20 2.154 8.490 -6.242 1.00 1.12 C ATOM 307 C SER A 20 3.273 7.590 -5.718 1.00 1.21 C ATOM 308 O SER A 20 4.442 7.896 -5.851 1.00 1.49 O ATOM 309 CB SER A 20 1.749 9.481 -5.150 1.00 1.07 C ATOM 310 OG SER A 20 0.507 10.080 -5.495 1.00 1.60 O ATOM 0 H SER A 20 0.121 7.850 -6.106 1.00 0.96 H new ATOM 0 HA SER A 20 2.504 9.037 -7.118 1.00 1.12 H new ATOM 0 HB2 SER A 20 1.665 8.969 -4.191 1.00 1.07 H new ATOM 0 HB3 SER A 20 2.516 10.247 -5.036 1.00 1.07 H new ATOM 0 HG SER A 20 -0.206 9.411 -5.437 1.00 1.60 H new ATOM 316 N LEU A 21 2.927 6.485 -5.120 1.00 0.99 N ATOM 317 CA LEU A 21 3.976 5.570 -4.588 1.00 1.06 C ATOM 318 C LEU A 21 4.631 4.810 -5.744 1.00 1.23 C ATOM 319 O LEU A 21 5.773 4.411 -5.663 1.00 1.46 O ATOM 320 CB LEU A 21 3.341 4.571 -3.616 1.00 0.85 C ATOM 321 CG LEU A 21 2.887 5.304 -2.352 1.00 0.94 C ATOM 322 CD1 LEU A 21 1.810 4.481 -1.641 1.00 0.60 C ATOM 323 CD2 LEU A 21 4.083 5.491 -1.415 1.00 1.27 C ATOM 0 H LEU A 21 1.966 6.176 -4.976 1.00 0.99 H new ATOM 0 HA LEU A 21 4.732 6.155 -4.065 1.00 1.06 H new ATOM 0 HB2 LEU A 21 2.491 4.079 -4.088 1.00 0.85 H new ATOM 0 HB3 LEU A 21 4.058 3.792 -3.359 1.00 0.85 H new ATOM 0 HG LEU A 21 2.480 6.278 -2.625 1.00 0.94 H new ATOM 0 HD11 LEU A 21 1.487 5.004 -0.741 1.00 0.60 H new ATOM 0 HD12 LEU A 21 0.958 4.345 -2.307 1.00 0.60 H new ATOM 0 HD13 LEU A 21 2.217 3.507 -1.369 1.00 0.60 H new ATOM 0 HD21 LEU A 21 3.761 6.013 -0.514 1.00 1.27 H new ATOM 0 HD22 LEU A 21 4.489 4.516 -1.144 1.00 1.27 H new ATOM 0 HD23 LEU A 21 4.852 6.077 -1.919 1.00 1.27 H new ATOM 335 N THR A 22 3.917 4.604 -6.818 1.00 1.14 N ATOM 336 CA THR A 22 4.498 3.863 -7.976 1.00 1.33 C ATOM 337 C THR A 22 5.731 4.594 -8.529 1.00 1.58 C ATOM 338 O THR A 22 6.517 4.020 -9.256 1.00 1.83 O ATOM 339 CB THR A 22 3.445 3.747 -9.079 1.00 1.54 C ATOM 340 OG1 THR A 22 2.264 3.165 -8.545 1.00 1.01 O ATOM 341 CG2 THR A 22 3.985 2.871 -10.209 1.00 1.89 C ATOM 0 H THR A 22 2.955 4.917 -6.944 1.00 1.14 H new ATOM 0 HA THR A 22 4.802 2.872 -7.639 1.00 1.33 H new ATOM 0 HB THR A 22 3.215 4.738 -9.470 1.00 1.54 H new ATOM 0 HG1 THR A 22 1.588 3.092 -9.250 1.00 1.01 H new ATOM 0 HG21 THR A 22 3.235 2.788 -10.995 1.00 1.89 H new ATOM 0 HG22 THR A 22 4.890 3.321 -10.617 1.00 1.89 H new ATOM 0 HG23 THR A 22 4.216 1.879 -9.822 1.00 1.89 H new ATOM 349 N GLU A 23 5.909 5.849 -8.204 1.00 1.58 N ATOM 350 CA GLU A 23 7.092 6.597 -8.727 1.00 1.87 C ATOM 351 C GLU A 23 8.379 5.826 -8.410 1.00 1.88 C ATOM 352 O GLU A 23 9.351 5.899 -9.136 1.00 2.21 O ATOM 353 CB GLU A 23 7.147 7.981 -8.073 1.00 1.95 C ATOM 354 CG GLU A 23 8.399 8.728 -8.546 1.00 2.63 C ATOM 355 CD GLU A 23 8.486 10.081 -7.838 1.00 3.47 C ATOM 356 OE1 GLU A 23 8.281 10.113 -6.635 1.00 4.10 O ATOM 357 OE2 GLU A 23 8.759 11.062 -8.510 1.00 3.82 O ATOM 0 H GLU A 23 5.288 6.387 -7.600 1.00 1.58 H new ATOM 0 HA GLU A 23 7.000 6.707 -9.808 1.00 1.87 H new ATOM 0 HB2 GLU A 23 6.254 8.551 -8.329 1.00 1.95 H new ATOM 0 HB3 GLU A 23 7.160 7.880 -6.988 1.00 1.95 H new ATOM 0 HG2 GLU A 23 9.290 8.137 -8.333 1.00 2.63 H new ATOM 0 HG3 GLU A 23 8.363 8.873 -9.626 1.00 2.63 H new ATOM 364 N GLN A 24 8.395 5.090 -7.333 1.00 1.57 N ATOM 365 CA GLN A 24 9.618 4.317 -6.968 1.00 1.62 C ATOM 366 C GLN A 24 9.212 2.937 -6.451 1.00 1.72 C ATOM 367 O GLN A 24 9.613 2.520 -5.383 1.00 1.77 O ATOM 368 CB GLN A 24 10.379 5.062 -5.872 1.00 1.69 C ATOM 369 CG GLN A 24 11.816 4.542 -5.804 1.00 1.86 C ATOM 370 CD GLN A 24 12.585 4.999 -7.044 1.00 0.77 C ATOM 371 OE1 GLN A 24 12.042 5.676 -7.895 1.00 0.94 O ATOM 372 NE2 GLN A 24 13.835 4.656 -7.182 1.00 1.67 N ATOM 0 H GLN A 24 7.612 4.990 -6.687 1.00 1.57 H new ATOM 0 HA GLN A 24 10.254 4.206 -7.846 1.00 1.62 H new ATOM 0 HB2 GLN A 24 10.378 6.133 -6.077 1.00 1.69 H new ATOM 0 HB3 GLN A 24 9.884 4.921 -4.911 1.00 1.69 H new ATOM 0 HG2 GLN A 24 12.305 4.912 -4.903 1.00 1.86 H new ATOM 0 HG3 GLN A 24 11.817 3.454 -5.743 1.00 1.86 H new ATOM 0 HE21 GLN A 24 14.290 4.088 -6.467 1.00 1.67 H new ATOM 0 HE22 GLN A 24 14.358 4.956 -8.005 1.00 1.67 H new ATOM 381 N LYS A 25 8.415 2.227 -7.198 1.00 1.77 N ATOM 382 CA LYS A 25 7.979 0.877 -6.747 1.00 1.92 C ATOM 383 C LYS A 25 8.508 -0.188 -7.708 1.00 1.73 C ATOM 384 O LYS A 25 7.811 -1.116 -8.069 1.00 2.07 O ATOM 385 CB LYS A 25 6.453 0.823 -6.707 1.00 2.31 C ATOM 386 CG LYS A 25 5.961 1.598 -5.486 1.00 4.05 C ATOM 387 CD LYS A 25 5.910 0.667 -4.275 1.00 5.09 C ATOM 388 CE LYS A 25 5.427 1.449 -3.052 1.00 6.70 C ATOM 389 NZ LYS A 25 3.952 1.291 -2.911 1.00 6.86 N ATOM 0 H LYS A 25 8.046 2.523 -8.102 1.00 1.77 H new ATOM 0 HA LYS A 25 8.376 0.684 -5.750 1.00 1.92 H new ATOM 0 HB2 LYS A 25 6.037 1.252 -7.618 1.00 2.31 H new ATOM 0 HB3 LYS A 25 6.114 -0.212 -6.658 1.00 2.31 H new ATOM 0 HG2 LYS A 25 6.625 2.438 -5.284 1.00 4.05 H new ATOM 0 HG3 LYS A 25 4.972 2.013 -5.680 1.00 4.05 H new ATOM 0 HD2 LYS A 25 5.240 -0.169 -4.473 1.00 5.09 H new ATOM 0 HD3 LYS A 25 6.897 0.246 -4.084 1.00 5.09 H new ATOM 0 HE2 LYS A 25 5.929 1.088 -2.155 1.00 6.70 H new ATOM 0 HE3 LYS A 25 5.682 2.503 -3.158 1.00 6.70 H new ATOM 0 HZ1 LYS A 25 3.624 1.823 -2.080 1.00 6.86 H new ATOM 0 HZ2 LYS A 25 3.481 1.656 -3.763 1.00 6.86 H new ATOM 0 HZ3 LYS A 25 3.721 0.284 -2.792 1.00 6.86 H new ATOM 403 N THR A 26 9.738 -0.064 -8.118 1.00 1.32 N ATOM 404 CA THR A 26 10.321 -1.069 -9.046 1.00 1.25 C ATOM 405 C THR A 26 11.515 -1.734 -8.360 1.00 1.03 C ATOM 406 O THR A 26 11.684 -2.937 -8.405 1.00 1.09 O ATOM 407 CB THR A 26 10.783 -0.371 -10.326 1.00 1.23 C ATOM 408 OG1 THR A 26 10.685 1.036 -10.156 1.00 1.96 O ATOM 409 CG2 THR A 26 9.899 -0.810 -11.496 1.00 1.66 C ATOM 0 H THR A 26 10.366 0.693 -7.849 1.00 1.32 H new ATOM 0 HA THR A 26 9.575 -1.822 -9.301 1.00 1.25 H new ATOM 0 HB THR A 26 11.818 -0.641 -10.536 1.00 1.23 H new ATOM 0 HG1 THR A 26 10.982 1.486 -10.974 1.00 1.96 H new ATOM 0 HG21 THR A 26 10.229 -0.312 -12.408 1.00 1.66 H new ATOM 0 HG22 THR A 26 9.975 -1.890 -11.624 1.00 1.66 H new ATOM 0 HG23 THR A 26 8.863 -0.541 -11.290 1.00 1.66 H new ATOM 417 N LEU A 27 12.337 -0.954 -7.717 1.00 0.97 N ATOM 418 CA LEU A 27 13.520 -1.520 -7.011 1.00 0.96 C ATOM 419 C LEU A 27 13.130 -1.855 -5.572 1.00 1.00 C ATOM 420 O LEU A 27 13.497 -2.883 -5.040 1.00 1.13 O ATOM 421 CB LEU A 27 14.646 -0.486 -7.013 1.00 0.97 C ATOM 422 CG LEU A 27 15.880 -1.069 -7.705 1.00 0.94 C ATOM 423 CD1 LEU A 27 15.678 -1.040 -9.221 1.00 1.54 C ATOM 424 CD2 LEU A 27 17.110 -0.235 -7.340 1.00 0.33 C ATOM 0 H LEU A 27 12.240 0.059 -7.650 1.00 0.97 H new ATOM 0 HA LEU A 27 13.858 -2.425 -7.515 1.00 0.96 H new ATOM 0 HB2 LEU A 27 14.322 0.418 -7.528 1.00 0.97 H new ATOM 0 HB3 LEU A 27 14.892 -0.200 -5.990 1.00 0.97 H new ATOM 0 HG LEU A 27 16.027 -2.098 -7.378 1.00 0.94 H new ATOM 0 HD11 LEU A 27 16.557 -1.455 -9.713 1.00 1.54 H new ATOM 0 HD12 LEU A 27 14.802 -1.633 -9.483 1.00 1.54 H new ATOM 0 HD13 LEU A 27 15.531 -0.011 -9.549 1.00 1.54 H new ATOM 0 HD21 LEU A 27 17.990 -0.649 -7.832 1.00 0.33 H new ATOM 0 HD22 LEU A 27 16.962 0.794 -7.667 1.00 0.33 H new ATOM 0 HD23 LEU A 27 17.256 -0.255 -6.260 1.00 0.33 H new ATOM 436 N CYS A 28 12.378 -0.996 -4.943 1.00 0.94 N ATOM 437 CA CYS A 28 11.950 -1.264 -3.542 1.00 0.97 C ATOM 438 C CYS A 28 10.824 -2.305 -3.529 1.00 0.98 C ATOM 439 O CYS A 28 10.452 -2.808 -2.487 1.00 1.09 O ATOM 440 CB CYS A 28 11.447 0.031 -2.904 1.00 0.97 C ATOM 441 SG CYS A 28 12.767 0.764 -1.910 1.00 0.57 S ATOM 0 H CYS A 28 12.041 -0.119 -5.339 1.00 0.94 H new ATOM 0 HA CYS A 28 12.801 -1.646 -2.977 1.00 0.97 H new ATOM 0 HB2 CYS A 28 11.128 0.730 -3.677 1.00 0.97 H new ATOM 0 HB3 CYS A 28 10.577 -0.172 -2.280 1.00 0.97 H new ATOM 446 N THR A 29 10.276 -2.638 -4.671 1.00 0.89 N ATOM 447 CA THR A 29 9.183 -3.646 -4.701 1.00 0.93 C ATOM 448 C THR A 29 9.767 -5.063 -4.818 1.00 1.06 C ATOM 449 O THR A 29 9.047 -6.016 -5.044 1.00 1.10 O ATOM 450 CB THR A 29 8.281 -3.375 -5.904 1.00 0.81 C ATOM 451 OG1 THR A 29 9.085 -3.054 -7.031 1.00 0.81 O ATOM 452 CG2 THR A 29 7.348 -2.205 -5.592 1.00 0.92 C ATOM 0 H THR A 29 10.540 -2.255 -5.579 1.00 0.89 H new ATOM 0 HA THR A 29 8.609 -3.573 -3.777 1.00 0.93 H new ATOM 0 HB THR A 29 7.686 -4.262 -6.120 1.00 0.81 H new ATOM 0 HG1 THR A 29 8.536 -2.606 -7.708 1.00 0.81 H new ATOM 0 HG21 THR A 29 6.705 -2.013 -6.451 1.00 0.92 H new ATOM 0 HG22 THR A 29 6.733 -2.451 -4.726 1.00 0.92 H new ATOM 0 HG23 THR A 29 7.940 -1.316 -5.376 1.00 0.92 H new ATOM 460 N GLU A 30 11.058 -5.217 -4.668 1.00 1.16 N ATOM 461 CA GLU A 30 11.661 -6.574 -4.775 1.00 1.30 C ATOM 462 C GLU A 30 11.844 -7.154 -3.369 1.00 1.31 C ATOM 463 O GLU A 30 12.945 -7.286 -2.872 1.00 1.35 O ATOM 464 CB GLU A 30 13.015 -6.465 -5.486 1.00 1.30 C ATOM 465 CG GLU A 30 12.909 -7.067 -6.890 1.00 2.07 C ATOM 466 CD GLU A 30 14.028 -8.090 -7.091 1.00 2.41 C ATOM 467 OE1 GLU A 30 15.142 -7.810 -6.681 1.00 1.68 O ATOM 468 OE2 GLU A 30 13.751 -9.138 -7.652 1.00 3.46 O ATOM 0 H GLU A 30 11.717 -4.462 -4.477 1.00 1.16 H new ATOM 0 HA GLU A 30 11.009 -7.233 -5.349 1.00 1.30 H new ATOM 0 HB2 GLU A 30 13.321 -5.421 -5.549 1.00 1.30 H new ATOM 0 HB3 GLU A 30 13.781 -6.987 -4.913 1.00 1.30 H new ATOM 0 HG2 GLU A 30 11.938 -7.544 -7.021 1.00 2.07 H new ATOM 0 HG3 GLU A 30 12.981 -6.280 -7.641 1.00 2.07 H new ATOM 475 N LEU A 31 10.760 -7.497 -2.725 1.00 1.55 N ATOM 476 CA LEU A 31 10.839 -8.065 -1.353 1.00 1.56 C ATOM 477 C LEU A 31 9.741 -9.111 -1.191 1.00 1.54 C ATOM 478 O LEU A 31 8.622 -8.786 -0.870 1.00 2.01 O ATOM 479 CB LEU A 31 10.626 -6.958 -0.312 1.00 1.74 C ATOM 480 CG LEU A 31 11.525 -5.757 -0.616 1.00 1.57 C ATOM 481 CD1 LEU A 31 11.149 -4.599 0.310 1.00 1.77 C ATOM 482 CD2 LEU A 31 12.990 -6.139 -0.381 1.00 1.25 C ATOM 0 H LEU A 31 9.815 -7.406 -3.097 1.00 1.55 H new ATOM 0 HA LEU A 31 11.821 -8.515 -1.204 1.00 1.56 H new ATOM 0 HB2 LEU A 31 9.581 -6.647 -0.312 1.00 1.74 H new ATOM 0 HB3 LEU A 31 10.845 -7.341 0.685 1.00 1.74 H new ATOM 0 HG LEU A 31 11.391 -5.456 -1.655 1.00 1.57 H new ATOM 0 HD11 LEU A 31 11.787 -3.741 0.097 1.00 1.77 H new ATOM 0 HD12 LEU A 31 10.107 -4.326 0.146 1.00 1.77 H new ATOM 0 HD13 LEU A 31 11.285 -4.904 1.348 1.00 1.77 H new ATOM 0 HD21 LEU A 31 13.629 -5.283 -0.598 1.00 1.25 H new ATOM 0 HD22 LEU A 31 13.126 -6.439 0.658 1.00 1.25 H new ATOM 0 HD23 LEU A 31 13.259 -6.968 -1.036 1.00 1.25 H new ATOM 494 N THR A 32 10.063 -10.355 -1.423 1.00 1.35 N ATOM 495 CA THR A 32 9.050 -11.453 -1.297 1.00 1.45 C ATOM 496 C THR A 32 8.299 -11.346 0.026 1.00 1.68 C ATOM 497 O THR A 32 8.699 -11.884 1.039 1.00 2.57 O ATOM 498 CB THR A 32 9.759 -12.807 -1.375 1.00 1.33 C ATOM 499 OG1 THR A 32 10.843 -12.820 -0.456 1.00 1.35 O ATOM 500 CG2 THR A 32 10.286 -13.036 -2.794 1.00 0.97 C ATOM 0 H THR A 32 10.995 -10.665 -1.698 1.00 1.35 H new ATOM 0 HA THR A 32 8.331 -11.362 -2.111 1.00 1.45 H new ATOM 0 HB THR A 32 9.055 -13.601 -1.124 1.00 1.33 H new ATOM 0 HG1 THR A 32 10.560 -12.414 0.390 1.00 1.35 H new ATOM 0 HG21 THR A 32 10.790 -14.001 -2.844 1.00 0.97 H new ATOM 0 HG22 THR A 32 9.454 -13.024 -3.498 1.00 0.97 H new ATOM 0 HG23 THR A 32 10.990 -12.245 -3.053 1.00 0.97 H new ATOM 508 N VAL A 33 7.203 -10.653 0.000 1.00 0.90 N ATOM 509 CA VAL A 33 6.380 -10.485 1.226 1.00 1.07 C ATOM 510 C VAL A 33 5.302 -11.586 1.280 1.00 1.09 C ATOM 511 O VAL A 33 5.555 -12.681 1.739 1.00 1.69 O ATOM 512 CB VAL A 33 5.739 -9.077 1.262 1.00 1.17 C ATOM 513 CG1 VAL A 33 6.737 -8.082 1.851 1.00 1.64 C ATOM 514 CG2 VAL A 33 5.354 -8.604 -0.148 1.00 0.73 C ATOM 0 H VAL A 33 6.835 -10.188 -0.830 1.00 0.90 H new ATOM 0 HA VAL A 33 7.020 -10.580 2.103 1.00 1.07 H new ATOM 0 HB VAL A 33 4.839 -9.131 1.874 1.00 1.17 H new ATOM 0 HG11 VAL A 33 6.288 -7.089 1.878 1.00 1.64 H new ATOM 0 HG12 VAL A 33 7.001 -8.388 2.863 1.00 1.64 H new ATOM 0 HG13 VAL A 33 7.635 -8.058 1.233 1.00 1.64 H new ATOM 0 HG21 VAL A 33 4.906 -7.612 -0.089 1.00 0.73 H new ATOM 0 HG22 VAL A 33 6.245 -8.563 -0.774 1.00 0.73 H new ATOM 0 HG23 VAL A 33 4.637 -9.301 -0.582 1.00 0.73 H new ATOM 524 N THR A 34 4.110 -11.324 0.814 1.00 1.19 N ATOM 525 CA THR A 34 3.050 -12.370 0.870 1.00 1.25 C ATOM 526 C THR A 34 1.961 -12.059 -0.157 1.00 1.17 C ATOM 527 O THR A 34 1.725 -10.918 -0.500 1.00 1.12 O ATOM 528 CB THR A 34 2.444 -12.384 2.282 1.00 1.31 C ATOM 529 OG1 THR A 34 2.712 -13.637 2.895 1.00 1.49 O ATOM 530 CG2 THR A 34 0.929 -12.155 2.218 1.00 1.20 C ATOM 0 H THR A 34 3.826 -10.436 0.400 1.00 1.19 H new ATOM 0 HA THR A 34 3.480 -13.345 0.642 1.00 1.25 H new ATOM 0 HB THR A 34 2.893 -11.582 2.868 1.00 1.31 H new ATOM 0 HG1 THR A 34 2.328 -13.649 3.797 1.00 1.49 H new ATOM 0 HG21 THR A 34 0.516 -12.168 3.227 1.00 1.20 H new ATOM 0 HG22 THR A 34 0.726 -11.189 1.755 1.00 1.20 H new ATOM 0 HG23 THR A 34 0.466 -12.945 1.626 1.00 1.20 H new ATOM 538 N ASP A 35 1.284 -13.065 -0.634 1.00 1.17 N ATOM 539 CA ASP A 35 0.197 -12.827 -1.622 1.00 1.09 C ATOM 540 C ASP A 35 -1.138 -12.808 -0.877 1.00 0.96 C ATOM 541 O ASP A 35 -1.636 -13.834 -0.456 1.00 1.14 O ATOM 542 CB ASP A 35 0.193 -13.951 -2.660 1.00 1.19 C ATOM 543 CG ASP A 35 0.072 -13.351 -4.061 1.00 1.07 C ATOM 544 OD1 ASP A 35 0.812 -12.426 -4.352 1.00 1.23 O ATOM 545 OD2 ASP A 35 -0.760 -13.824 -4.817 1.00 1.74 O ATOM 0 H ASP A 35 1.437 -14.042 -0.382 1.00 1.17 H new ATOM 0 HA ASP A 35 0.354 -11.876 -2.132 1.00 1.09 H new ATOM 0 HB2 ASP A 35 1.109 -14.536 -2.581 1.00 1.19 H new ATOM 0 HB3 ASP A 35 -0.637 -14.632 -2.471 1.00 1.19 H new ATOM 550 N ILE A 36 -1.716 -11.650 -0.694 1.00 0.64 N ATOM 551 CA ILE A 36 -3.011 -11.573 0.043 1.00 0.49 C ATOM 552 C ILE A 36 -4.195 -11.678 -0.928 1.00 0.49 C ATOM 553 O ILE A 36 -5.301 -11.293 -0.605 1.00 0.38 O ATOM 554 CB ILE A 36 -3.086 -10.241 0.796 1.00 0.43 C ATOM 555 CG1 ILE A 36 -3.486 -9.123 -0.168 1.00 0.46 C ATOM 556 CG2 ILE A 36 -1.721 -9.918 1.398 1.00 0.52 C ATOM 557 CD1 ILE A 36 -3.197 -7.767 0.481 1.00 0.50 C ATOM 0 H ILE A 36 -1.348 -10.757 -1.022 1.00 0.64 H new ATOM 0 HA ILE A 36 -3.064 -12.404 0.747 1.00 0.49 H new ATOM 0 HB ILE A 36 -3.829 -10.321 1.589 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -2.932 -9.217 -1.102 1.00 0.46 H new ATOM 0 HG13 ILE A 36 -4.545 -9.202 -0.416 1.00 0.46 H new ATOM 0 HG21 ILE A 36 -1.775 -8.970 1.934 1.00 0.52 H new ATOM 0 HG22 ILE A 36 -1.432 -10.710 2.089 1.00 0.52 H new ATOM 0 HG23 ILE A 36 -0.981 -9.843 0.602 1.00 0.52 H new ATOM 0 HD11 ILE A 36 -3.481 -6.968 -0.204 1.00 0.50 H new ATOM 0 HD12 ILE A 36 -3.771 -7.675 1.403 1.00 0.50 H new ATOM 0 HD13 ILE A 36 -2.133 -7.691 0.706 1.00 0.50 H new ATOM 569 N PHE A 37 -3.984 -12.199 -2.109 1.00 0.67 N ATOM 570 CA PHE A 37 -5.112 -12.325 -3.076 1.00 0.69 C ATOM 571 C PHE A 37 -5.346 -13.804 -3.391 1.00 0.85 C ATOM 572 O PHE A 37 -5.734 -14.159 -4.486 1.00 0.92 O ATOM 573 CB PHE A 37 -4.767 -11.583 -4.370 1.00 0.79 C ATOM 574 CG PHE A 37 -4.580 -10.116 -4.078 1.00 0.74 C ATOM 575 CD1 PHE A 37 -5.692 -9.271 -3.995 1.00 0.81 C ATOM 576 CD2 PHE A 37 -3.292 -9.601 -3.890 1.00 0.75 C ATOM 577 CE1 PHE A 37 -5.516 -7.910 -3.725 1.00 0.85 C ATOM 578 CE2 PHE A 37 -3.118 -8.239 -3.620 1.00 0.73 C ATOM 579 CZ PHE A 37 -4.229 -7.393 -3.537 1.00 0.77 C ATOM 0 H PHE A 37 -3.083 -12.541 -2.443 1.00 0.67 H new ATOM 0 HA PHE A 37 -6.012 -11.893 -2.639 1.00 0.69 H new ATOM 0 HB2 PHE A 37 -3.858 -11.996 -4.806 1.00 0.79 H new ATOM 0 HB3 PHE A 37 -5.563 -11.720 -5.103 1.00 0.79 H new ATOM 0 HD1 PHE A 37 -6.685 -9.669 -4.139 1.00 0.81 H new ATOM 0 HD2 PHE A 37 -2.434 -10.254 -3.953 1.00 0.75 H new ATOM 0 HE1 PHE A 37 -6.374 -7.257 -3.662 1.00 0.85 H new ATOM 0 HE2 PHE A 37 -2.125 -7.840 -3.476 1.00 0.73 H new ATOM 0 HZ PHE A 37 -4.094 -6.342 -3.328 1.00 0.77 H new ATOM 589 N ALA A 38 -5.109 -14.670 -2.444 1.00 0.94 N ATOM 590 CA ALA A 38 -5.314 -16.124 -2.697 1.00 1.14 C ATOM 591 C ALA A 38 -6.666 -16.563 -2.130 1.00 1.23 C ATOM 592 O ALA A 38 -7.288 -17.482 -2.625 1.00 1.47 O ATOM 593 CB ALA A 38 -4.195 -16.923 -2.025 1.00 1.16 C ATOM 0 H ALA A 38 -4.783 -14.434 -1.507 1.00 0.94 H new ATOM 0 HA ALA A 38 -5.298 -16.307 -3.771 1.00 1.14 H new ATOM 0 HB1 ALA A 38 -4.345 -17.987 -2.210 1.00 1.16 H new ATOM 0 HB2 ALA A 38 -3.232 -16.616 -2.434 1.00 1.16 H new ATOM 0 HB3 ALA A 38 -4.209 -16.736 -0.951 1.00 1.16 H new ATOM 599 N ALA A 39 -7.126 -15.917 -1.094 1.00 1.09 N ATOM 600 CA ALA A 39 -8.436 -16.304 -0.498 1.00 1.25 C ATOM 601 C ALA A 39 -9.325 -15.065 -0.371 1.00 1.09 C ATOM 602 O ALA A 39 -8.863 -13.946 -0.466 1.00 1.37 O ATOM 603 CB ALA A 39 -8.205 -16.907 0.888 1.00 1.54 C ATOM 0 H ALA A 39 -6.652 -15.139 -0.635 1.00 1.09 H new ATOM 0 HA ALA A 39 -8.924 -17.038 -1.139 1.00 1.25 H new ATOM 0 HB1 ALA A 39 -9.162 -17.191 1.326 1.00 1.54 H new ATOM 0 HB2 ALA A 39 -7.571 -17.789 0.800 1.00 1.54 H new ATOM 0 HB3 ALA A 39 -7.717 -16.172 1.528 1.00 1.54 H new ATOM 609 N SER A 40 -10.597 -15.257 -0.152 1.00 1.80 N ATOM 610 CA SER A 40 -11.511 -14.091 -0.016 1.00 1.59 C ATOM 611 C SER A 40 -12.795 -14.527 0.693 1.00 2.08 C ATOM 612 O SER A 40 -13.843 -14.638 0.088 1.00 2.65 O ATOM 613 CB SER A 40 -11.854 -13.546 -1.403 1.00 1.98 C ATOM 614 OG SER A 40 -12.657 -12.381 -1.265 1.00 2.75 O ATOM 0 H SER A 40 -11.041 -16.171 -0.062 1.00 1.80 H new ATOM 0 HA SER A 40 -11.020 -13.313 0.569 1.00 1.59 H new ATOM 0 HB2 SER A 40 -10.941 -13.310 -1.949 1.00 1.98 H new ATOM 0 HB3 SER A 40 -12.385 -14.301 -1.982 1.00 1.98 H new ATOM 0 HG SER A 40 -12.877 -12.028 -2.152 1.00 2.75 H new ATOM 620 N LYS A 41 -12.723 -14.771 1.974 1.00 2.15 N ATOM 621 CA LYS A 41 -13.941 -15.194 2.722 1.00 2.91 C ATOM 622 C LYS A 41 -14.674 -13.952 3.229 1.00 2.78 C ATOM 623 O LYS A 41 -15.888 -13.903 3.255 1.00 3.18 O ATOM 624 CB LYS A 41 -13.534 -16.066 3.912 1.00 3.59 C ATOM 625 CG LYS A 41 -13.066 -17.434 3.413 1.00 3.69 C ATOM 626 CD LYS A 41 -12.651 -18.298 4.606 1.00 4.66 C ATOM 627 CE LYS A 41 -11.297 -18.953 4.320 1.00 5.29 C ATOM 628 NZ LYS A 41 -10.556 -19.141 5.599 1.00 7.02 N ATOM 0 H LYS A 41 -11.874 -14.696 2.534 1.00 2.15 H new ATOM 0 HA LYS A 41 -14.595 -15.765 2.063 1.00 2.91 H new ATOM 0 HB2 LYS A 41 -12.736 -15.581 4.474 1.00 3.59 H new ATOM 0 HB3 LYS A 41 -14.377 -16.185 4.593 1.00 3.59 H new ATOM 0 HG2 LYS A 41 -13.866 -17.923 2.857 1.00 3.69 H new ATOM 0 HG3 LYS A 41 -12.227 -17.315 2.727 1.00 3.69 H new ATOM 0 HD2 LYS A 41 -12.588 -17.686 5.506 1.00 4.66 H new ATOM 0 HD3 LYS A 41 -13.404 -19.063 4.793 1.00 4.66 H new ATOM 0 HE2 LYS A 41 -11.443 -19.914 3.827 1.00 5.29 H new ATOM 0 HE3 LYS A 41 -10.716 -18.331 3.639 1.00 5.29 H new ATOM 0 HZ1 LYS A 41 -9.636 -19.586 5.405 1.00 7.02 H new ATOM 0 HZ2 LYS A 41 -10.405 -18.217 6.052 1.00 7.02 H new ATOM 0 HZ3 LYS A 41 -11.109 -19.752 6.234 1.00 7.02 H new ATOM 642 N ASP A 42 -13.944 -12.948 3.633 1.00 2.36 N ATOM 643 CA ASP A 42 -14.596 -11.706 4.138 1.00 2.48 C ATOM 644 C ASP A 42 -13.696 -10.500 3.877 1.00 1.98 C ATOM 645 O ASP A 42 -13.818 -9.478 4.523 1.00 2.40 O ATOM 646 CB ASP A 42 -14.843 -11.835 5.642 1.00 3.33 C ATOM 647 CG ASP A 42 -15.974 -10.892 6.055 1.00 4.45 C ATOM 648 OD1 ASP A 42 -17.052 -11.012 5.496 1.00 4.36 O ATOM 649 OD2 ASP A 42 -15.743 -10.065 6.921 1.00 5.59 O ATOM 0 H ASP A 42 -12.924 -12.934 3.635 1.00 2.36 H new ATOM 0 HA ASP A 42 -15.544 -11.566 3.619 1.00 2.48 H new ATOM 0 HB2 ASP A 42 -15.103 -12.864 5.892 1.00 3.33 H new ATOM 0 HB3 ASP A 42 -13.934 -11.593 6.193 1.00 3.33 H new ATOM 654 N THR A 43 -12.803 -10.593 2.931 1.00 1.35 N ATOM 655 CA THR A 43 -11.925 -9.430 2.643 1.00 1.22 C ATOM 656 C THR A 43 -12.513 -8.635 1.486 1.00 1.01 C ATOM 657 O THR A 43 -12.498 -9.064 0.349 1.00 1.25 O ATOM 658 CB THR A 43 -10.522 -9.899 2.267 1.00 1.03 C ATOM 659 OG1 THR A 43 -10.579 -10.663 1.069 1.00 0.70 O ATOM 660 CG2 THR A 43 -9.943 -10.751 3.396 1.00 0.90 C ATOM 0 H THR A 43 -12.646 -11.417 2.351 1.00 1.35 H new ATOM 0 HA THR A 43 -11.861 -8.807 3.535 1.00 1.22 H new ATOM 0 HB THR A 43 -9.882 -9.031 2.110 1.00 1.03 H new ATOM 0 HG1 THR A 43 -11.400 -10.445 0.581 1.00 0.70 H new ATOM 0 HG21 THR A 43 -8.941 -11.084 3.124 1.00 0.90 H new ATOM 0 HG22 THR A 43 -9.893 -10.159 4.310 1.00 0.90 H new ATOM 0 HG23 THR A 43 -10.581 -11.619 3.561 1.00 0.90 H new ATOM 668 N THR A 44 -13.033 -7.478 1.767 1.00 0.86 N ATOM 669 CA THR A 44 -13.628 -6.653 0.680 1.00 1.07 C ATOM 670 C THR A 44 -12.750 -5.435 0.407 1.00 1.10 C ATOM 671 O THR A 44 -11.940 -5.439 -0.498 1.00 1.89 O ATOM 672 CB THR A 44 -15.039 -6.209 1.077 1.00 1.36 C ATOM 673 OG1 THR A 44 -15.282 -6.566 2.431 1.00 1.03 O ATOM 674 CG2 THR A 44 -16.063 -6.896 0.172 1.00 1.81 C ATOM 0 H THR A 44 -13.073 -7.066 2.699 1.00 0.86 H new ATOM 0 HA THR A 44 -13.688 -7.252 -0.229 1.00 1.07 H new ATOM 0 HB THR A 44 -15.127 -5.128 0.966 1.00 1.36 H new ATOM 0 HG1 THR A 44 -16.184 -6.281 2.688 1.00 1.03 H new ATOM 0 HG21 THR A 44 -17.067 -6.580 0.454 1.00 1.81 H new ATOM 0 HG22 THR A 44 -15.874 -6.621 -0.866 1.00 1.81 H new ATOM 0 HG23 THR A 44 -15.978 -7.977 0.282 1.00 1.81 H new ATOM 682 N GLU A 45 -12.895 -4.396 1.176 1.00 0.41 N ATOM 683 CA GLU A 45 -12.054 -3.189 0.953 1.00 0.49 C ATOM 684 C GLU A 45 -11.396 -2.798 2.275 1.00 0.44 C ATOM 685 O GLU A 45 -10.235 -2.457 2.319 1.00 0.50 O ATOM 686 CB GLU A 45 -12.918 -2.033 0.427 1.00 0.48 C ATOM 687 CG GLU A 45 -13.764 -1.448 1.559 1.00 0.40 C ATOM 688 CD GLU A 45 -14.720 -0.396 0.995 1.00 0.74 C ATOM 689 OE1 GLU A 45 -14.761 -0.248 -0.215 1.00 0.52 O ATOM 690 OE2 GLU A 45 -15.397 0.244 1.782 1.00 1.76 O ATOM 0 H GLU A 45 -13.558 -4.329 1.948 1.00 0.41 H new ATOM 0 HA GLU A 45 -11.286 -3.407 0.211 1.00 0.49 H new ATOM 0 HB2 GLU A 45 -12.281 -1.258 0.001 1.00 0.48 H new ATOM 0 HB3 GLU A 45 -13.566 -2.389 -0.374 1.00 0.48 H new ATOM 0 HG2 GLU A 45 -14.328 -2.240 2.051 1.00 0.40 H new ATOM 0 HG3 GLU A 45 -13.119 -1.000 2.314 1.00 0.40 H new ATOM 697 N LYS A 46 -12.123 -2.860 3.356 1.00 0.34 N ATOM 698 CA LYS A 46 -11.532 -2.505 4.672 1.00 0.32 C ATOM 699 C LYS A 46 -10.559 -3.607 5.102 1.00 0.36 C ATOM 700 O LYS A 46 -9.594 -3.358 5.800 1.00 0.27 O ATOM 701 CB LYS A 46 -12.652 -2.377 5.706 1.00 0.31 C ATOM 702 CG LYS A 46 -13.264 -3.757 5.963 1.00 0.56 C ATOM 703 CD LYS A 46 -14.718 -3.599 6.412 1.00 0.67 C ATOM 704 CE LYS A 46 -15.225 -4.926 6.981 1.00 1.71 C ATOM 705 NZ LYS A 46 -16.348 -5.433 6.142 1.00 2.59 N ATOM 0 H LYS A 46 -13.103 -3.142 3.383 1.00 0.34 H new ATOM 0 HA LYS A 46 -10.997 -1.559 4.595 1.00 0.32 H new ATOM 0 HB2 LYS A 46 -12.260 -1.962 6.634 1.00 0.31 H new ATOM 0 HB3 LYS A 46 -13.417 -1.688 5.347 1.00 0.31 H new ATOM 0 HG2 LYS A 46 -13.216 -4.361 5.057 1.00 0.56 H new ATOM 0 HG3 LYS A 46 -12.692 -4.283 6.727 1.00 0.56 H new ATOM 0 HD2 LYS A 46 -14.794 -2.816 7.166 1.00 0.67 H new ATOM 0 HD3 LYS A 46 -15.338 -3.292 5.570 1.00 0.67 H new ATOM 0 HE2 LYS A 46 -14.416 -5.656 7.004 1.00 1.71 H new ATOM 0 HE3 LYS A 46 -15.559 -4.788 8.009 1.00 1.71 H new ATOM 0 HZ1 LYS A 46 -16.691 -6.335 6.530 1.00 2.59 H new ATOM 0 HZ2 LYS A 46 -17.122 -4.739 6.142 1.00 2.59 H new ATOM 0 HZ3 LYS A 46 -16.015 -5.580 5.168 1.00 2.59 H new ATOM 719 N GLU A 47 -10.797 -4.825 4.686 1.00 0.56 N ATOM 720 CA GLU A 47 -9.874 -5.927 5.079 1.00 0.66 C ATOM 721 C GLU A 47 -8.673 -5.941 4.134 1.00 0.72 C ATOM 722 O GLU A 47 -7.568 -6.260 4.524 1.00 0.82 O ATOM 723 CB GLU A 47 -10.610 -7.266 4.996 1.00 0.64 C ATOM 724 CG GLU A 47 -10.721 -7.879 6.395 1.00 0.74 C ATOM 725 CD GLU A 47 -11.906 -8.848 6.436 1.00 0.76 C ATOM 726 OE1 GLU A 47 -13.007 -8.394 6.701 1.00 1.20 O ATOM 727 OE2 GLU A 47 -11.692 -10.025 6.202 1.00 1.44 O ATOM 0 H GLU A 47 -11.583 -5.100 4.097 1.00 0.56 H new ATOM 0 HA GLU A 47 -9.531 -5.769 6.101 1.00 0.66 H new ATOM 0 HB2 GLU A 47 -11.604 -7.121 4.572 1.00 0.64 H new ATOM 0 HB3 GLU A 47 -10.076 -7.945 4.332 1.00 0.64 H new ATOM 0 HG2 GLU A 47 -9.800 -8.404 6.648 1.00 0.74 H new ATOM 0 HG3 GLU A 47 -10.854 -7.093 7.138 1.00 0.74 H new ATOM 734 N THR A 48 -8.881 -5.601 2.894 1.00 0.74 N ATOM 735 CA THR A 48 -7.745 -5.600 1.925 1.00 0.83 C ATOM 736 C THR A 48 -6.797 -4.434 2.226 1.00 0.77 C ATOM 737 O THR A 48 -5.606 -4.517 1.993 1.00 0.75 O ATOM 738 CB THR A 48 -8.274 -5.460 0.492 1.00 0.89 C ATOM 739 OG1 THR A 48 -9.656 -5.776 0.458 1.00 1.48 O ATOM 740 CG2 THR A 48 -7.513 -6.410 -0.432 1.00 0.84 C ATOM 0 H THR A 48 -9.784 -5.324 2.508 1.00 0.74 H new ATOM 0 HA THR A 48 -7.206 -6.542 2.023 1.00 0.83 H new ATOM 0 HB THR A 48 -8.129 -4.433 0.157 1.00 0.89 H new ATOM 0 HG1 THR A 48 -10.072 -5.342 -0.316 1.00 1.48 H new ATOM 0 HG21 THR A 48 -7.891 -6.308 -1.449 1.00 0.84 H new ATOM 0 HG22 THR A 48 -6.451 -6.163 -0.413 1.00 0.84 H new ATOM 0 HG23 THR A 48 -7.653 -7.437 -0.094 1.00 0.84 H new ATOM 748 N PHE A 49 -7.310 -3.345 2.738 1.00 0.77 N ATOM 749 CA PHE A 49 -6.425 -2.181 3.039 1.00 0.74 C ATOM 750 C PHE A 49 -5.731 -2.384 4.387 1.00 0.63 C ATOM 751 O PHE A 49 -4.614 -1.951 4.582 1.00 0.56 O ATOM 752 CB PHE A 49 -7.243 -0.885 3.087 1.00 0.88 C ATOM 753 CG PHE A 49 -7.850 -0.590 1.730 1.00 0.78 C ATOM 754 CD1 PHE A 49 -7.124 -0.840 0.555 1.00 1.32 C ATOM 755 CD2 PHE A 49 -9.148 -0.068 1.648 1.00 0.89 C ATOM 756 CE1 PHE A 49 -7.697 -0.565 -0.693 1.00 1.32 C ATOM 757 CE2 PHE A 49 -9.718 0.205 0.399 1.00 0.79 C ATOM 758 CZ PHE A 49 -8.993 -0.044 -0.771 1.00 0.68 C ATOM 0 H PHE A 49 -8.297 -3.212 2.959 1.00 0.77 H new ATOM 0 HA PHE A 49 -5.678 -2.106 2.249 1.00 0.74 H new ATOM 0 HB2 PHE A 49 -8.032 -0.974 3.834 1.00 0.88 H new ATOM 0 HB3 PHE A 49 -6.605 -0.056 3.394 1.00 0.88 H new ATOM 0 HD1 PHE A 49 -6.124 -1.244 0.613 1.00 1.32 H new ATOM 0 HD2 PHE A 49 -9.710 0.124 2.550 1.00 0.89 H new ATOM 0 HE1 PHE A 49 -7.137 -0.755 -1.597 1.00 1.32 H new ATOM 0 HE2 PHE A 49 -10.718 0.608 0.339 1.00 0.79 H new ATOM 0 HZ PHE A 49 -9.434 0.166 -1.734 1.00 0.68 H new ATOM 768 N CYS A 50 -6.374 -3.028 5.321 1.00 0.63 N ATOM 769 CA CYS A 50 -5.727 -3.241 6.647 1.00 0.54 C ATOM 770 C CYS A 50 -4.569 -4.231 6.497 1.00 0.52 C ATOM 771 O CYS A 50 -3.454 -3.959 6.892 1.00 0.64 O ATOM 772 CB CYS A 50 -6.754 -3.799 7.633 1.00 0.59 C ATOM 773 SG CYS A 50 -5.922 -4.270 9.169 1.00 0.65 S ATOM 0 H CYS A 50 -7.313 -3.414 5.225 1.00 0.63 H new ATOM 0 HA CYS A 50 -5.345 -2.291 7.022 1.00 0.54 H new ATOM 0 HB2 CYS A 50 -7.521 -3.052 7.837 1.00 0.59 H new ATOM 0 HB3 CYS A 50 -7.257 -4.663 7.200 1.00 0.59 H new ATOM 778 N ARG A 51 -4.820 -5.378 5.928 1.00 0.36 N ATOM 779 CA ARG A 51 -3.725 -6.375 5.756 1.00 0.34 C ATOM 780 C ARG A 51 -2.625 -5.769 4.879 1.00 0.38 C ATOM 781 O ARG A 51 -1.460 -5.776 5.232 1.00 0.43 O ATOM 782 CB ARG A 51 -4.284 -7.634 5.090 1.00 0.24 C ATOM 783 CG ARG A 51 -4.725 -8.629 6.169 1.00 0.19 C ATOM 784 CD ARG A 51 -6.253 -8.653 6.266 1.00 1.15 C ATOM 785 NE ARG A 51 -6.737 -10.072 6.289 1.00 1.11 N ATOM 786 CZ ARG A 51 -6.390 -10.940 5.366 1.00 0.49 C ATOM 787 NH1 ARG A 51 -5.782 -10.561 4.267 1.00 1.82 N ATOM 788 NH2 ARG A 51 -6.712 -12.195 5.517 1.00 0.27 N ATOM 0 H ARG A 51 -5.732 -5.668 5.576 1.00 0.36 H new ATOM 0 HA ARG A 51 -3.309 -6.638 6.729 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -5.128 -7.376 4.451 1.00 0.24 H new ATOM 0 HB3 ARG A 51 -3.527 -8.087 4.450 1.00 0.24 H new ATOM 0 HG2 ARG A 51 -4.352 -9.625 5.931 1.00 0.19 H new ATOM 0 HG3 ARG A 51 -4.296 -8.349 7.131 1.00 0.19 H new ATOM 0 HD2 ARG A 51 -6.578 -8.133 7.168 1.00 1.15 H new ATOM 0 HD3 ARG A 51 -6.689 -8.124 5.419 1.00 1.15 H new ATOM 0 HE ARG A 51 -7.354 -10.372 7.044 1.00 1.11 H new ATOM 0 HH11 ARG A 51 -5.570 -9.575 4.116 1.00 1.82 H new ATOM 0 HH12 ARG A 51 -5.522 -11.252 3.564 1.00 1.82 H new ATOM 0 HH21 ARG A 51 -7.228 -12.493 6.345 1.00 0.27 H new ATOM 0 HH22 ARG A 51 -6.448 -12.878 4.807 1.00 0.27 H new ATOM 802 N ALA A 52 -2.983 -5.236 3.742 1.00 0.38 N ATOM 803 CA ALA A 52 -1.952 -4.624 2.857 1.00 0.43 C ATOM 804 C ALA A 52 -1.288 -3.447 3.583 1.00 0.48 C ATOM 805 O ALA A 52 -0.187 -3.053 3.258 1.00 0.53 O ATOM 806 CB ALA A 52 -2.611 -4.119 1.573 1.00 0.41 C ATOM 0 H ALA A 52 -3.939 -5.198 3.390 1.00 0.38 H new ATOM 0 HA ALA A 52 -1.200 -5.373 2.609 1.00 0.43 H new ATOM 0 HB1 ALA A 52 -1.855 -3.672 0.928 1.00 0.41 H new ATOM 0 HB2 ALA A 52 -3.084 -4.953 1.054 1.00 0.41 H new ATOM 0 HB3 ALA A 52 -3.365 -3.372 1.821 1.00 0.41 H new ATOM 812 N ALA A 53 -1.942 -2.886 4.569 1.00 0.49 N ATOM 813 CA ALA A 53 -1.337 -1.745 5.311 1.00 0.55 C ATOM 814 C ALA A 53 -0.236 -2.281 6.221 1.00 0.53 C ATOM 815 O ALA A 53 0.766 -1.636 6.440 1.00 0.54 O ATOM 816 CB ALA A 53 -2.409 -1.046 6.151 1.00 0.58 C ATOM 0 H ALA A 53 -2.868 -3.170 4.890 1.00 0.49 H new ATOM 0 HA ALA A 53 -0.918 -1.026 4.607 1.00 0.55 H new ATOM 0 HB1 ALA A 53 -1.961 -0.212 6.692 1.00 0.58 H new ATOM 0 HB2 ALA A 53 -3.198 -0.673 5.497 1.00 0.58 H new ATOM 0 HB3 ALA A 53 -2.833 -1.754 6.863 1.00 0.58 H new ATOM 822 N THR A 54 -0.408 -3.467 6.739 1.00 0.53 N ATOM 823 CA THR A 54 0.643 -4.052 7.615 1.00 0.53 C ATOM 824 C THR A 54 1.892 -4.282 6.763 1.00 0.54 C ATOM 825 O THR A 54 2.999 -3.942 7.147 1.00 0.52 O ATOM 826 CB THR A 54 0.151 -5.381 8.196 1.00 0.58 C ATOM 827 OG1 THR A 54 -1.013 -5.150 8.975 1.00 0.93 O ATOM 828 CG2 THR A 54 1.243 -5.990 9.076 1.00 0.20 C ATOM 0 H THR A 54 -1.229 -4.054 6.593 1.00 0.53 H new ATOM 0 HA THR A 54 0.870 -3.378 8.441 1.00 0.53 H new ATOM 0 HB THR A 54 -0.084 -6.070 7.384 1.00 0.58 H new ATOM 0 HG1 THR A 54 -1.331 -5.999 9.347 1.00 0.93 H new ATOM 0 HG21 THR A 54 0.892 -6.936 9.489 1.00 0.20 H new ATOM 0 HG22 THR A 54 2.137 -6.165 8.478 1.00 0.20 H new ATOM 0 HG23 THR A 54 1.479 -5.304 9.890 1.00 0.20 H new ATOM 836 N VAL A 55 1.717 -4.831 5.591 1.00 0.58 N ATOM 837 CA VAL A 55 2.886 -5.054 4.698 1.00 0.60 C ATOM 838 C VAL A 55 3.488 -3.692 4.345 1.00 0.53 C ATOM 839 O VAL A 55 4.681 -3.556 4.156 1.00 0.52 O ATOM 840 CB VAL A 55 2.430 -5.759 3.418 1.00 0.66 C ATOM 841 CG1 VAL A 55 3.584 -5.794 2.415 1.00 0.82 C ATOM 842 CG2 VAL A 55 2.003 -7.191 3.747 1.00 0.81 C ATOM 0 H VAL A 55 0.818 -5.133 5.216 1.00 0.58 H new ATOM 0 HA VAL A 55 3.627 -5.676 5.199 1.00 0.60 H new ATOM 0 HB VAL A 55 1.588 -5.217 2.988 1.00 0.66 H new ATOM 0 HG11 VAL A 55 3.259 -6.296 1.504 1.00 0.82 H new ATOM 0 HG12 VAL A 55 3.891 -4.775 2.178 1.00 0.82 H new ATOM 0 HG13 VAL A 55 4.425 -6.336 2.847 1.00 0.82 H new ATOM 0 HG21 VAL A 55 1.678 -7.692 2.835 1.00 0.81 H new ATOM 0 HG22 VAL A 55 2.845 -7.732 4.178 1.00 0.81 H new ATOM 0 HG23 VAL A 55 1.181 -7.170 4.462 1.00 0.81 H new ATOM 852 N LEU A 56 2.664 -2.678 4.265 1.00 0.49 N ATOM 853 CA LEU A 56 3.174 -1.318 3.938 1.00 0.43 C ATOM 854 C LEU A 56 4.046 -0.824 5.091 1.00 0.44 C ATOM 855 O LEU A 56 4.995 -0.092 4.898 1.00 0.44 O ATOM 856 CB LEU A 56 1.993 -0.365 3.747 1.00 0.33 C ATOM 857 CG LEU A 56 1.307 -0.662 2.413 1.00 0.56 C ATOM 858 CD1 LEU A 56 -0.128 -0.134 2.445 1.00 1.60 C ATOM 859 CD2 LEU A 56 2.073 0.027 1.286 1.00 1.39 C ATOM 0 H LEU A 56 1.657 -2.737 4.413 1.00 0.49 H new ATOM 0 HA LEU A 56 3.761 -1.354 3.021 1.00 0.43 H new ATOM 0 HB2 LEU A 56 1.283 -0.480 4.566 1.00 0.33 H new ATOM 0 HB3 LEU A 56 2.339 0.668 3.768 1.00 0.33 H new ATOM 0 HG LEU A 56 1.294 -1.739 2.244 1.00 0.56 H new ATOM 0 HD11 LEU A 56 -0.615 -0.347 1.493 1.00 1.60 H new ATOM 0 HD12 LEU A 56 -0.677 -0.621 3.251 1.00 1.60 H new ATOM 0 HD13 LEU A 56 -0.116 0.943 2.614 1.00 1.60 H new ATOM 0 HD21 LEU A 56 1.586 -0.183 0.334 1.00 1.39 H new ATOM 0 HD22 LEU A 56 2.084 1.103 1.458 1.00 1.39 H new ATOM 0 HD23 LEU A 56 3.097 -0.347 1.260 1.00 1.39 H new ATOM 871 N ARG A 57 3.734 -1.229 6.292 1.00 0.46 N ATOM 872 CA ARG A 57 4.545 -0.798 7.462 1.00 0.50 C ATOM 873 C ARG A 57 5.961 -1.345 7.295 1.00 0.59 C ATOM 874 O ARG A 57 6.932 -0.616 7.363 1.00 0.71 O ATOM 875 CB ARG A 57 3.924 -1.359 8.745 1.00 0.57 C ATOM 876 CG ARG A 57 4.741 -0.914 9.962 1.00 0.95 C ATOM 877 CD ARG A 57 4.807 -2.062 10.971 1.00 2.05 C ATOM 878 NE ARG A 57 6.011 -2.900 10.698 1.00 3.95 N ATOM 879 CZ ARG A 57 6.442 -3.771 11.583 1.00 5.09 C ATOM 880 NH1 ARG A 57 5.838 -3.925 12.736 1.00 4.63 N ATOM 881 NH2 ARG A 57 7.493 -4.495 11.309 1.00 6.76 N ATOM 0 H ARG A 57 2.949 -1.842 6.512 1.00 0.46 H new ATOM 0 HA ARG A 57 4.570 0.290 7.525 1.00 0.50 H new ATOM 0 HB2 ARG A 57 2.895 -1.013 8.842 1.00 0.57 H new ATOM 0 HB3 ARG A 57 3.891 -2.447 8.697 1.00 0.57 H new ATOM 0 HG2 ARG A 57 5.746 -0.626 9.654 1.00 0.95 H new ATOM 0 HG3 ARG A 57 4.284 -0.037 10.420 1.00 0.95 H new ATOM 0 HD2 ARG A 57 4.850 -1.666 11.986 1.00 2.05 H new ATOM 0 HD3 ARG A 57 3.905 -2.671 10.904 1.00 2.05 H new ATOM 0 HE ARG A 57 6.506 -2.796 9.813 1.00 3.95 H new ATOM 0 HH11 ARG A 57 5.017 -3.363 12.961 1.00 4.63 H new ATOM 0 HH12 ARG A 57 6.189 -4.607 13.409 1.00 4.63 H new ATOM 0 HH21 ARG A 57 7.971 -4.382 10.415 1.00 6.76 H new ATOM 0 HH22 ARG A 57 7.836 -5.174 11.989 1.00 6.76 H new ATOM 895 N GLN A 58 6.087 -2.623 7.067 1.00 0.53 N ATOM 896 CA GLN A 58 7.443 -3.213 6.885 1.00 0.61 C ATOM 897 C GLN A 58 8.132 -2.547 5.689 1.00 0.58 C ATOM 898 O GLN A 58 9.342 -2.480 5.615 1.00 0.64 O ATOM 899 CB GLN A 58 7.318 -4.717 6.631 1.00 0.68 C ATOM 900 CG GLN A 58 7.207 -5.451 7.968 1.00 0.38 C ATOM 901 CD GLN A 58 8.594 -5.915 8.415 1.00 0.83 C ATOM 902 OE1 GLN A 58 9.587 -5.283 8.114 1.00 2.08 O ATOM 903 NE2 GLN A 58 8.704 -7.002 9.127 1.00 0.74 N ATOM 0 H GLN A 58 5.312 -3.283 6.999 1.00 0.53 H new ATOM 0 HA GLN A 58 8.035 -3.047 7.785 1.00 0.61 H new ATOM 0 HB2 GLN A 58 6.441 -4.922 6.017 1.00 0.68 H new ATOM 0 HB3 GLN A 58 8.185 -5.077 6.077 1.00 0.68 H new ATOM 0 HG2 GLN A 58 6.772 -4.793 8.721 1.00 0.38 H new ATOM 0 HG3 GLN A 58 6.540 -6.307 7.870 1.00 0.38 H new ATOM 0 HE21 GLN A 58 7.870 -7.533 9.380 1.00 0.74 H new ATOM 0 HE22 GLN A 58 9.624 -7.322 9.431 1.00 0.74 H new ATOM 912 N PHE A 59 7.366 -2.055 4.752 1.00 0.51 N ATOM 913 CA PHE A 59 7.967 -1.393 3.560 1.00 0.50 C ATOM 914 C PHE A 59 8.758 -0.156 3.996 1.00 0.47 C ATOM 915 O PHE A 59 9.950 -0.064 3.781 1.00 0.48 O ATOM 916 CB PHE A 59 6.841 -0.970 2.610 1.00 0.52 C ATOM 917 CG PHE A 59 7.414 -0.498 1.294 1.00 0.58 C ATOM 918 CD1 PHE A 59 8.078 0.733 1.215 1.00 0.96 C ATOM 919 CD2 PHE A 59 7.268 -1.288 0.147 1.00 0.80 C ATOM 920 CE1 PHE A 59 8.596 1.172 -0.010 1.00 1.03 C ATOM 921 CE2 PHE A 59 7.784 -0.847 -1.078 1.00 0.83 C ATOM 922 CZ PHE A 59 8.449 0.382 -1.156 1.00 0.72 C ATOM 0 H PHE A 59 6.346 -2.084 4.762 1.00 0.51 H new ATOM 0 HA PHE A 59 8.641 -2.086 3.056 1.00 0.50 H new ATOM 0 HB2 PHE A 59 6.165 -1.808 2.440 1.00 0.52 H new ATOM 0 HB3 PHE A 59 6.253 -0.173 3.065 1.00 0.52 H new ATOM 0 HD1 PHE A 59 8.190 1.344 2.099 1.00 0.96 H new ATOM 0 HD2 PHE A 59 6.757 -2.238 0.207 1.00 0.80 H new ATOM 0 HE1 PHE A 59 9.109 2.120 -0.070 1.00 1.03 H new ATOM 0 HE2 PHE A 59 7.669 -1.456 -1.963 1.00 0.83 H new ATOM 0 HZ PHE A 59 8.849 0.721 -2.100 1.00 0.72 H new ATOM 932 N TYR A 60 8.104 0.799 4.599 1.00 0.57 N ATOM 933 CA TYR A 60 8.821 2.032 5.035 1.00 0.58 C ATOM 934 C TYR A 60 9.363 1.870 6.461 1.00 0.28 C ATOM 935 O TYR A 60 9.823 2.818 7.064 1.00 0.13 O ATOM 936 CB TYR A 60 7.859 3.221 4.993 1.00 0.84 C ATOM 937 CG TYR A 60 7.239 3.420 6.356 1.00 0.55 C ATOM 938 CD1 TYR A 60 6.269 2.524 6.823 1.00 0.81 C ATOM 939 CD2 TYR A 60 7.635 4.501 7.153 1.00 0.20 C ATOM 940 CE1 TYR A 60 5.695 2.710 8.086 1.00 0.90 C ATOM 941 CE2 TYR A 60 7.061 4.687 8.415 1.00 0.37 C ATOM 942 CZ TYR A 60 6.091 3.792 8.882 1.00 0.75 C ATOM 943 OH TYR A 60 5.524 3.976 10.128 1.00 1.08 O ATOM 0 H TYR A 60 7.106 0.779 4.809 1.00 0.57 H new ATOM 0 HA TYR A 60 9.659 2.204 4.359 1.00 0.58 H new ATOM 0 HB2 TYR A 60 8.392 4.122 4.690 1.00 0.84 H new ATOM 0 HB3 TYR A 60 7.081 3.046 4.250 1.00 0.84 H new ATOM 0 HD1 TYR A 60 5.964 1.690 6.209 1.00 0.81 H new ATOM 0 HD2 TYR A 60 8.384 5.191 6.793 1.00 0.20 H new ATOM 0 HE1 TYR A 60 4.947 2.019 8.446 1.00 0.90 H new ATOM 0 HE2 TYR A 60 7.366 5.521 9.029 1.00 0.37 H new ATOM 0 HH TYR A 60 5.911 4.772 10.549 1.00 1.08 H new ATOM 953 N SER A 61 9.321 0.688 7.012 1.00 0.51 N ATOM 954 CA SER A 61 9.846 0.505 8.390 1.00 0.42 C ATOM 955 C SER A 61 11.324 0.116 8.326 1.00 0.22 C ATOM 956 O SER A 61 12.182 0.797 8.853 1.00 0.03 O ATOM 957 CB SER A 61 9.060 -0.602 9.092 1.00 0.79 C ATOM 958 OG SER A 61 9.721 -0.955 10.301 1.00 1.34 O ATOM 0 H SER A 61 8.948 -0.152 6.570 1.00 0.51 H new ATOM 0 HA SER A 61 9.739 1.437 8.945 1.00 0.42 H new ATOM 0 HB2 SER A 61 8.045 -0.265 9.304 1.00 0.79 H new ATOM 0 HB3 SER A 61 8.977 -1.473 8.442 1.00 0.79 H new ATOM 0 HG SER A 61 9.218 -1.664 10.754 1.00 1.34 H new ATOM 964 N HIS A 62 11.621 -0.989 7.702 1.00 0.39 N ATOM 965 CA HIS A 62 13.037 -1.449 7.618 1.00 0.45 C ATOM 966 C HIS A 62 13.723 -0.927 6.347 1.00 0.52 C ATOM 967 O HIS A 62 14.891 -0.594 6.359 1.00 0.55 O ATOM 968 CB HIS A 62 13.056 -2.977 7.612 1.00 0.62 C ATOM 969 CG HIS A 62 13.220 -3.474 9.023 1.00 0.55 C ATOM 970 ND1 HIS A 62 14.204 -4.384 9.379 1.00 1.20 N ATOM 971 CD2 HIS A 62 12.536 -3.191 10.179 1.00 0.84 C ATOM 972 CE1 HIS A 62 14.085 -4.613 10.700 1.00 1.00 C ATOM 973 NE2 HIS A 62 13.083 -3.910 11.236 1.00 0.89 N ATOM 0 H HIS A 62 10.942 -1.597 7.244 1.00 0.39 H new ATOM 0 HA HIS A 62 13.581 -1.059 8.478 1.00 0.45 H new ATOM 0 HB2 HIS A 62 12.131 -3.363 7.183 1.00 0.62 H new ATOM 0 HB3 HIS A 62 13.873 -3.340 6.988 1.00 0.62 H new ATOM 0 HD2 HIS A 62 11.699 -2.512 10.256 1.00 0.84 H new ATOM 0 HE1 HIS A 62 14.722 -5.283 11.259 1.00 1.00 H new ATOM 0 HE2 HIS A 62 12.784 -3.902 12.211 1.00 0.89 H new ATOM 981 N HIS A 63 13.024 -0.887 5.245 1.00 0.57 N ATOM 982 CA HIS A 63 13.663 -0.427 3.974 1.00 0.64 C ATOM 983 C HIS A 63 13.526 1.089 3.789 1.00 0.43 C ATOM 984 O HIS A 63 13.668 1.594 2.693 1.00 0.45 O ATOM 985 CB HIS A 63 12.996 -1.136 2.797 1.00 0.80 C ATOM 986 CG HIS A 63 12.860 -2.600 3.108 1.00 0.97 C ATOM 987 ND1 HIS A 63 13.933 -3.368 3.534 1.00 1.71 N ATOM 988 CD2 HIS A 63 11.785 -3.450 3.063 1.00 0.85 C ATOM 989 CE1 HIS A 63 13.482 -4.621 3.726 1.00 2.03 C ATOM 990 NE2 HIS A 63 12.179 -4.727 3.453 1.00 1.53 N ATOM 0 H HIS A 63 12.042 -1.151 5.168 1.00 0.57 H new ATOM 0 HA HIS A 63 14.725 -0.668 4.020 1.00 0.64 H new ATOM 0 HB2 HIS A 63 12.015 -0.701 2.605 1.00 0.80 H new ATOM 0 HB3 HIS A 63 13.588 -0.999 1.892 1.00 0.80 H new ATOM 0 HD2 HIS A 63 10.784 -3.171 2.769 1.00 0.85 H new ATOM 0 HE1 HIS A 63 14.099 -5.442 4.060 1.00 2.03 H new ATOM 0 HE2 HIS A 63 11.598 -5.563 3.517 1.00 1.53 H new ATOM 998 N GLU A 64 13.263 1.825 4.830 1.00 0.37 N ATOM 999 CA GLU A 64 13.139 3.301 4.664 1.00 0.26 C ATOM 1000 C GLU A 64 14.504 3.963 4.877 1.00 0.56 C ATOM 1001 O GLU A 64 14.769 5.034 4.369 1.00 0.72 O ATOM 1002 CB GLU A 64 12.135 3.864 5.671 1.00 0.16 C ATOM 1003 CG GLU A 64 12.502 3.395 7.076 1.00 1.60 C ATOM 1004 CD GLU A 64 11.956 4.387 8.107 1.00 1.42 C ATOM 1005 OE1 GLU A 64 10.889 4.928 7.870 1.00 1.35 O ATOM 1006 OE2 GLU A 64 12.615 4.587 9.114 1.00 2.01 O ATOM 0 H GLU A 64 13.130 1.476 5.779 1.00 0.37 H new ATOM 0 HA GLU A 64 12.786 3.512 3.655 1.00 0.26 H new ATOM 0 HB2 GLU A 64 12.134 4.953 5.629 1.00 0.16 H new ATOM 0 HB3 GLU A 64 11.127 3.534 5.418 1.00 0.16 H new ATOM 0 HG2 GLU A 64 12.091 2.402 7.258 1.00 1.60 H new ATOM 0 HG3 GLU A 64 13.585 3.314 7.172 1.00 1.60 H new ATOM 1013 N LYS A 65 15.373 3.339 5.628 1.00 0.68 N ATOM 1014 CA LYS A 65 16.714 3.945 5.873 1.00 0.97 C ATOM 1015 C LYS A 65 17.810 2.972 5.431 1.00 1.15 C ATOM 1016 O LYS A 65 18.898 2.962 5.971 1.00 1.50 O ATOM 1017 CB LYS A 65 16.871 4.240 7.365 1.00 1.00 C ATOM 1018 CG LYS A 65 18.148 5.053 7.594 1.00 1.28 C ATOM 1019 CD LYS A 65 19.160 4.225 8.392 1.00 1.50 C ATOM 1020 CE LYS A 65 19.761 5.090 9.500 1.00 1.66 C ATOM 1021 NZ LYS A 65 20.959 5.804 8.977 1.00 2.08 N ATOM 0 H LYS A 65 15.213 2.439 6.081 1.00 0.68 H new ATOM 0 HA LYS A 65 16.801 4.870 5.303 1.00 0.97 H new ATOM 0 HB2 LYS A 65 16.005 4.792 7.730 1.00 1.00 H new ATOM 0 HB3 LYS A 65 16.915 3.308 7.928 1.00 1.00 H new ATOM 0 HG2 LYS A 65 18.579 5.346 6.637 1.00 1.28 H new ATOM 0 HG3 LYS A 65 17.913 5.972 8.132 1.00 1.28 H new ATOM 0 HD2 LYS A 65 18.672 3.350 8.822 1.00 1.50 H new ATOM 0 HD3 LYS A 65 19.948 3.859 7.733 1.00 1.50 H new ATOM 0 HE2 LYS A 65 19.023 5.809 9.856 1.00 1.66 H new ATOM 0 HE3 LYS A 65 20.038 4.469 10.352 1.00 1.66 H new ATOM 0 HZ1 LYS A 65 21.369 6.393 9.730 1.00 2.08 H new ATOM 0 HZ2 LYS A 65 21.665 5.110 8.658 1.00 2.08 H new ATOM 0 HZ3 LYS A 65 20.681 6.408 8.178 1.00 2.08 H new ATOM 1035 N ASP A 66 17.535 2.151 4.454 1.00 0.92 N ATOM 1036 CA ASP A 66 18.566 1.181 3.988 1.00 1.09 C ATOM 1037 C ASP A 66 19.165 1.658 2.663 1.00 1.09 C ATOM 1038 O ASP A 66 18.505 2.289 1.862 1.00 0.93 O ATOM 1039 CB ASP A 66 17.920 -0.190 3.789 1.00 1.02 C ATOM 1040 CG ASP A 66 17.534 -0.769 5.151 1.00 1.50 C ATOM 1041 OD1 ASP A 66 17.578 -0.030 6.121 1.00 2.32 O ATOM 1042 OD2 ASP A 66 17.205 -1.942 5.201 1.00 1.28 O ATOM 0 H ASP A 66 16.644 2.110 3.960 1.00 0.92 H new ATOM 0 HA ASP A 66 19.356 1.109 4.735 1.00 1.09 H new ATOM 0 HB2 ASP A 66 17.037 -0.100 3.156 1.00 1.02 H new ATOM 0 HB3 ASP A 66 18.612 -0.860 3.279 1.00 1.02 H new ATOM 1047 N THR A 67 20.414 1.358 2.428 1.00 1.32 N ATOM 1048 CA THR A 67 21.058 1.789 1.155 1.00 1.39 C ATOM 1049 C THR A 67 20.895 0.703 0.082 1.00 1.04 C ATOM 1050 O THR A 67 21.572 0.718 -0.928 1.00 0.92 O ATOM 1051 CB THR A 67 22.547 2.036 1.403 1.00 2.03 C ATOM 1052 OG1 THR A 67 23.203 0.793 1.616 1.00 1.23 O ATOM 1053 CG2 THR A 67 22.718 2.923 2.635 1.00 2.74 C ATOM 0 H THR A 67 21.016 0.833 3.063 1.00 1.32 H new ATOM 0 HA THR A 67 20.581 2.705 0.807 1.00 1.39 H new ATOM 0 HB THR A 67 22.984 2.533 0.537 1.00 2.03 H new ATOM 0 HG1 THR A 67 24.158 0.950 1.773 1.00 1.23 H new ATOM 0 HG21 THR A 67 23.779 3.099 2.812 1.00 2.74 H new ATOM 0 HG22 THR A 67 22.214 3.876 2.470 1.00 2.74 H new ATOM 0 HG23 THR A 67 22.283 2.428 3.503 1.00 2.74 H new ATOM 1061 N ARG A 68 20.009 -0.241 0.279 1.00 1.04 N ATOM 1062 CA ARG A 68 19.826 -1.309 -0.744 1.00 0.84 C ATOM 1063 C ARG A 68 18.924 -0.786 -1.863 1.00 0.54 C ATOM 1064 O ARG A 68 19.049 -1.174 -3.008 1.00 0.44 O ATOM 1065 CB ARG A 68 19.184 -2.537 -0.094 1.00 0.98 C ATOM 1066 CG ARG A 68 20.093 -3.057 1.021 1.00 1.86 C ATOM 1067 CD ARG A 68 19.963 -4.579 1.120 1.00 1.56 C ATOM 1068 NE ARG A 68 21.099 -5.123 1.919 1.00 2.61 N ATOM 1069 CZ ARG A 68 21.070 -6.345 2.397 1.00 2.63 C ATOM 1070 NH1 ARG A 68 20.038 -7.130 2.200 1.00 2.06 N ATOM 1071 NH2 ARG A 68 22.089 -6.785 3.084 1.00 3.58 N ATOM 0 H ARG A 68 19.409 -0.316 1.100 1.00 1.04 H new ATOM 0 HA ARG A 68 20.794 -1.589 -1.159 1.00 0.84 H new ATOM 0 HB2 ARG A 68 18.206 -2.278 0.311 1.00 0.98 H new ATOM 0 HB3 ARG A 68 19.024 -3.315 -0.840 1.00 0.98 H new ATOM 0 HG2 ARG A 68 21.128 -2.783 0.818 1.00 1.86 H new ATOM 0 HG3 ARG A 68 19.821 -2.596 1.971 1.00 1.86 H new ATOM 0 HD2 ARG A 68 19.015 -4.844 1.588 1.00 1.56 H new ATOM 0 HD3 ARG A 68 19.961 -5.020 0.123 1.00 1.56 H new ATOM 0 HE ARG A 68 21.913 -4.535 2.097 1.00 2.61 H new ATOM 0 HH11 ARG A 68 19.236 -6.794 1.666 1.00 2.06 H new ATOM 0 HH12 ARG A 68 20.037 -8.076 2.581 1.00 2.06 H new ATOM 0 HH21 ARG A 68 22.895 -6.181 3.244 1.00 3.58 H new ATOM 0 HH22 ARG A 68 22.079 -7.733 3.461 1.00 3.58 H new ATOM 1085 N CYS A 69 18.018 0.095 -1.541 1.00 0.77 N ATOM 1086 CA CYS A 69 17.112 0.650 -2.582 1.00 0.74 C ATOM 1087 C CYS A 69 17.747 1.900 -3.197 1.00 1.08 C ATOM 1088 O CYS A 69 17.517 2.223 -4.345 1.00 1.43 O ATOM 1089 CB CYS A 69 15.773 1.021 -1.945 1.00 0.79 C ATOM 1090 SG CYS A 69 14.425 0.500 -3.030 1.00 0.82 S ATOM 0 H CYS A 69 17.867 0.455 -0.599 1.00 0.77 H new ATOM 0 HA CYS A 69 16.951 -0.096 -3.360 1.00 0.74 H new ATOM 0 HB2 CYS A 69 15.676 0.541 -0.971 1.00 0.79 H new ATOM 0 HB3 CYS A 69 15.724 2.097 -1.777 1.00 0.79 H new ATOM 1095 N LEU A 70 18.543 2.605 -2.437 1.00 1.15 N ATOM 1096 CA LEU A 70 19.195 3.835 -2.973 1.00 1.49 C ATOM 1097 C LEU A 70 19.936 3.498 -4.267 1.00 1.45 C ATOM 1098 O LEU A 70 19.597 3.978 -5.331 1.00 1.65 O ATOM 1099 CB LEU A 70 20.190 4.375 -1.943 1.00 1.68 C ATOM 1100 CG LEU A 70 19.443 4.782 -0.673 1.00 1.43 C ATOM 1101 CD1 LEU A 70 20.444 5.225 0.395 1.00 1.24 C ATOM 1102 CD2 LEU A 70 18.492 5.938 -0.990 1.00 1.80 C ATOM 0 H LEU A 70 18.770 2.382 -1.468 1.00 1.15 H new ATOM 0 HA LEU A 70 18.435 4.589 -3.176 1.00 1.49 H new ATOM 0 HB2 LEU A 70 20.936 3.615 -1.710 1.00 1.68 H new ATOM 0 HB3 LEU A 70 20.724 5.232 -2.353 1.00 1.68 H new ATOM 0 HG LEU A 70 18.873 3.931 -0.302 1.00 1.43 H new ATOM 0 HD11 LEU A 70 19.908 5.514 1.299 1.00 1.24 H new ATOM 0 HD12 LEU A 70 21.121 4.402 0.623 1.00 1.24 H new ATOM 0 HD13 LEU A 70 21.018 6.075 0.026 1.00 1.24 H new ATOM 0 HD21 LEU A 70 17.959 6.229 -0.085 1.00 1.80 H new ATOM 0 HD22 LEU A 70 19.064 6.788 -1.363 1.00 1.80 H new ATOM 0 HD23 LEU A 70 17.775 5.622 -1.748 1.00 1.80 H new ATOM 1114 N GLY A 71 20.947 2.678 -4.187 1.00 1.24 N ATOM 1115 CA GLY A 71 21.708 2.314 -5.415 1.00 1.32 C ATOM 1116 C GLY A 71 23.050 3.045 -5.418 1.00 1.41 C ATOM 1117 O GLY A 71 23.658 3.253 -4.386 1.00 1.15 O ATOM 0 H GLY A 71 21.279 2.245 -3.325 1.00 1.24 H new ATOM 0 HA2 GLY A 71 21.869 1.236 -5.450 1.00 1.32 H new ATOM 0 HA3 GLY A 71 21.135 2.580 -6.303 1.00 1.32 H new ATOM 1121 N ALA A 72 23.519 3.437 -6.570 1.00 1.86 N ATOM 1122 CA ALA A 72 24.822 4.155 -6.639 1.00 1.97 C ATOM 1123 C ALA A 72 24.587 5.609 -7.061 1.00 1.86 C ATOM 1124 O ALA A 72 25.361 6.489 -6.741 1.00 1.19 O ATOM 1125 CB ALA A 72 25.730 3.468 -7.661 1.00 2.20 C ATOM 0 H ALA A 72 23.056 3.291 -7.467 1.00 1.86 H new ATOM 0 HA ALA A 72 25.297 4.135 -5.658 1.00 1.97 H new ATOM 0 HB1 ALA A 72 26.684 3.993 -7.712 1.00 2.20 H new ATOM 0 HB2 ALA A 72 25.901 2.435 -7.359 1.00 2.20 H new ATOM 0 HB3 ALA A 72 25.253 3.486 -8.641 1.00 2.20 H new ATOM 1131 N THR A 73 23.526 5.869 -7.778 1.00 2.61 N ATOM 1132 CA THR A 73 23.249 7.265 -8.216 1.00 2.60 C ATOM 1133 C THR A 73 22.730 8.081 -7.031 1.00 2.32 C ATOM 1134 O THR A 73 22.153 7.551 -6.103 1.00 2.27 O ATOM 1135 CB THR A 73 22.199 7.253 -9.330 1.00 2.69 C ATOM 1136 OG1 THR A 73 22.047 8.568 -9.848 1.00 2.87 O ATOM 1137 CG2 THR A 73 20.860 6.766 -8.773 1.00 3.00 C ATOM 0 H THR A 73 22.841 5.175 -8.078 1.00 2.61 H new ATOM 0 HA THR A 73 24.168 7.716 -8.590 1.00 2.60 H new ATOM 0 HB THR A 73 22.523 6.581 -10.125 1.00 2.69 H new ATOM 0 HG1 THR A 73 22.926 8.930 -10.085 1.00 2.87 H new ATOM 0 HG21 THR A 73 20.116 6.759 -9.569 1.00 3.00 H new ATOM 0 HG22 THR A 73 20.976 5.758 -8.376 1.00 3.00 H new ATOM 0 HG23 THR A 73 20.533 7.434 -7.976 1.00 3.00 H new ATOM 1145 N ALA A 74 22.933 9.371 -7.056 1.00 2.16 N ATOM 1146 CA ALA A 74 22.454 10.225 -5.932 1.00 1.90 C ATOM 1147 C ALA A 74 20.994 10.635 -6.167 1.00 1.66 C ATOM 1148 O ALA A 74 20.283 10.977 -5.243 1.00 1.47 O ATOM 1149 CB ALA A 74 23.325 11.477 -5.840 1.00 1.75 C ATOM 0 H ALA A 74 23.410 9.870 -7.807 1.00 2.16 H new ATOM 0 HA ALA A 74 22.520 9.661 -5.002 1.00 1.90 H new ATOM 0 HB1 ALA A 74 22.977 12.103 -5.019 1.00 1.75 H new ATOM 0 HB2 ALA A 74 24.361 11.187 -5.661 1.00 1.75 H new ATOM 0 HB3 ALA A 74 23.260 12.035 -6.774 1.00 1.75 H new ATOM 1155 N GLN A 75 20.539 10.610 -7.391 1.00 1.69 N ATOM 1156 CA GLN A 75 19.127 11.001 -7.668 1.00 1.48 C ATOM 1157 C GLN A 75 18.183 10.051 -6.929 1.00 1.24 C ATOM 1158 O GLN A 75 17.097 10.424 -6.530 1.00 1.17 O ATOM 1159 CB GLN A 75 18.859 10.911 -9.172 1.00 1.70 C ATOM 1160 CG GLN A 75 19.870 11.777 -9.923 1.00 1.52 C ATOM 1161 CD GLN A 75 20.740 10.887 -10.811 1.00 2.20 C ATOM 1162 OE1 GLN A 75 21.951 10.955 -10.760 1.00 2.64 O ATOM 1163 NE2 GLN A 75 20.167 10.045 -11.629 1.00 3.11 N ATOM 0 H GLN A 75 21.083 10.336 -8.209 1.00 1.69 H new ATOM 0 HA GLN A 75 18.959 12.023 -7.328 1.00 1.48 H new ATOM 0 HB2 GLN A 75 18.934 9.875 -9.504 1.00 1.70 H new ATOM 0 HB3 GLN A 75 17.845 11.244 -9.392 1.00 1.70 H new ATOM 0 HG2 GLN A 75 19.350 12.518 -10.530 1.00 1.52 H new ATOM 0 HG3 GLN A 75 20.493 12.324 -9.216 1.00 1.52 H new ATOM 0 HE21 GLN A 75 19.150 9.988 -11.672 1.00 3.11 H new ATOM 0 HE22 GLN A 75 20.737 9.445 -12.225 1.00 3.11 H new ATOM 1172 N GLN A 76 18.588 8.824 -6.748 1.00 1.13 N ATOM 1173 CA GLN A 76 17.716 7.846 -6.041 1.00 0.94 C ATOM 1174 C GLN A 76 17.579 8.247 -4.570 1.00 0.69 C ATOM 1175 O GLN A 76 16.569 7.998 -3.943 1.00 0.52 O ATOM 1176 CB GLN A 76 18.340 6.452 -6.135 1.00 0.97 C ATOM 1177 CG GLN A 76 17.341 5.491 -6.784 1.00 1.48 C ATOM 1178 CD GLN A 76 18.092 4.441 -7.607 1.00 1.17 C ATOM 1179 OE1 GLN A 76 19.238 4.633 -7.961 1.00 1.19 O ATOM 1180 NE2 GLN A 76 17.486 3.332 -7.928 1.00 1.76 N ATOM 0 H GLN A 76 19.487 8.457 -7.060 1.00 1.13 H new ATOM 0 HA GLN A 76 16.729 7.837 -6.504 1.00 0.94 H new ATOM 0 HB2 GLN A 76 19.258 6.491 -6.722 1.00 0.97 H new ATOM 0 HB3 GLN A 76 18.612 6.095 -5.142 1.00 0.97 H new ATOM 0 HG2 GLN A 76 16.740 5.003 -6.016 1.00 1.48 H new ATOM 0 HG3 GLN A 76 16.653 6.044 -7.424 1.00 1.48 H new ATOM 0 HE21 GLN A 76 16.524 3.172 -7.630 1.00 1.76 H new ATOM 0 HE22 GLN A 76 17.974 2.624 -8.477 1.00 1.76 H new ATOM 1189 N PHE A 77 18.585 8.864 -4.017 1.00 0.74 N ATOM 1190 CA PHE A 77 18.512 9.281 -2.587 1.00 0.61 C ATOM 1191 C PHE A 77 17.437 10.358 -2.420 1.00 0.56 C ATOM 1192 O PHE A 77 16.592 10.274 -1.551 1.00 0.47 O ATOM 1193 CB PHE A 77 19.866 9.845 -2.151 1.00 0.84 C ATOM 1194 CG PHE A 77 20.070 9.584 -0.678 1.00 0.53 C ATOM 1195 CD1 PHE A 77 19.175 10.117 0.258 1.00 0.61 C ATOM 1196 CD2 PHE A 77 21.154 8.812 -0.248 1.00 0.55 C ATOM 1197 CE1 PHE A 77 19.364 9.875 1.624 1.00 0.50 C ATOM 1198 CE2 PHE A 77 21.345 8.570 1.118 1.00 0.47 C ATOM 1199 CZ PHE A 77 20.450 9.102 2.054 1.00 0.27 C ATOM 0 H PHE A 77 19.456 9.098 -4.493 1.00 0.74 H new ATOM 0 HA PHE A 77 18.260 8.417 -1.972 1.00 0.61 H new ATOM 0 HB2 PHE A 77 20.667 9.382 -2.727 1.00 0.84 H new ATOM 0 HB3 PHE A 77 19.907 10.916 -2.350 1.00 0.84 H new ATOM 0 HD1 PHE A 77 18.339 10.715 -0.074 1.00 0.61 H new ATOM 0 HD2 PHE A 77 21.845 8.402 -0.970 1.00 0.55 H new ATOM 0 HE1 PHE A 77 18.673 10.284 2.346 1.00 0.50 H new ATOM 0 HE2 PHE A 77 22.182 7.973 1.449 1.00 0.47 H new ATOM 0 HZ PHE A 77 20.597 8.916 3.108 1.00 0.27 H new ATOM 1209 N HIS A 78 17.464 11.373 -3.241 1.00 0.67 N ATOM 1210 CA HIS A 78 16.445 12.455 -3.121 1.00 0.66 C ATOM 1211 C HIS A 78 15.049 11.875 -3.354 1.00 0.41 C ATOM 1212 O HIS A 78 14.080 12.307 -2.763 1.00 0.55 O ATOM 1213 CB HIS A 78 16.728 13.540 -4.160 1.00 0.85 C ATOM 1214 CG HIS A 78 16.920 14.858 -3.462 1.00 1.37 C ATOM 1215 ND1 HIS A 78 15.853 15.620 -3.014 1.00 1.46 N ATOM 1216 CD2 HIS A 78 18.050 15.558 -3.121 1.00 2.76 C ATOM 1217 CE1 HIS A 78 16.358 16.724 -2.434 1.00 2.66 C ATOM 1218 NE2 HIS A 78 17.693 16.737 -2.472 1.00 3.43 N ATOM 0 H HIS A 78 18.146 11.500 -3.988 1.00 0.67 H new ATOM 0 HA HIS A 78 16.493 12.888 -2.122 1.00 0.66 H new ATOM 0 HB2 HIS A 78 17.619 13.286 -4.734 1.00 0.85 H new ATOM 0 HB3 HIS A 78 15.901 13.607 -4.867 1.00 0.85 H new ATOM 0 HD2 HIS A 78 19.062 15.242 -3.325 1.00 2.76 H new ATOM 0 HE1 HIS A 78 15.757 17.505 -1.992 1.00 2.66 H new ATOM 0 HE2 HIS A 78 18.317 17.456 -2.105 1.00 3.43 H new ATOM 1226 N ARG A 79 14.937 10.898 -4.210 1.00 0.27 N ATOM 1227 CA ARG A 79 13.601 10.294 -4.477 1.00 0.31 C ATOM 1228 C ARG A 79 13.188 9.404 -3.297 1.00 0.35 C ATOM 1229 O ARG A 79 12.020 9.156 -3.077 1.00 0.51 O ATOM 1230 CB ARG A 79 13.671 9.452 -5.754 1.00 0.61 C ATOM 1231 CG ARG A 79 13.283 10.316 -6.957 1.00 0.57 C ATOM 1232 CD ARG A 79 13.440 9.495 -8.238 1.00 0.81 C ATOM 1233 NE ARG A 79 13.806 10.401 -9.377 1.00 0.89 N ATOM 1234 CZ ARG A 79 13.077 11.443 -9.696 1.00 0.72 C ATOM 1235 NH1 ARG A 79 11.880 11.614 -9.196 1.00 1.54 N ATOM 1236 NH2 ARG A 79 13.523 12.288 -10.587 1.00 1.28 N ATOM 0 H ARG A 79 15.711 10.492 -4.736 1.00 0.27 H new ATOM 0 HA ARG A 79 12.864 11.087 -4.602 1.00 0.31 H new ATOM 0 HB2 ARG A 79 14.678 9.056 -5.887 1.00 0.61 H new ATOM 0 HB3 ARG A 79 13.000 8.597 -5.676 1.00 0.61 H new ATOM 0 HG2 ARG A 79 12.254 10.660 -6.856 1.00 0.57 H new ATOM 0 HG3 ARG A 79 13.914 11.204 -7.000 1.00 0.57 H new ATOM 0 HD2 ARG A 79 14.210 8.736 -8.103 1.00 0.81 H new ATOM 0 HD3 ARG A 79 12.511 8.971 -8.462 1.00 0.81 H new ATOM 0 HE ARG A 79 14.647 10.200 -9.919 1.00 0.89 H new ATOM 0 HH11 ARG A 79 11.497 10.929 -8.544 1.00 1.54 H new ATOM 0 HH12 ARG A 79 11.330 12.432 -9.458 1.00 1.54 H new ATOM 0 HH21 ARG A 79 14.430 12.134 -11.027 1.00 1.28 H new ATOM 0 HH22 ARG A 79 12.964 13.102 -10.843 1.00 1.28 H new ATOM 1250 N HIS A 80 14.136 8.922 -2.537 1.00 0.32 N ATOM 1251 CA HIS A 80 13.795 8.052 -1.375 1.00 0.53 C ATOM 1252 C HIS A 80 13.289 8.917 -0.215 1.00 0.68 C ATOM 1253 O HIS A 80 12.472 8.492 0.578 1.00 0.94 O ATOM 1254 CB HIS A 80 15.046 7.291 -0.928 1.00 0.50 C ATOM 1255 CG HIS A 80 14.684 5.867 -0.604 1.00 0.08 C ATOM 1256 ND1 HIS A 80 13.894 5.534 0.486 1.00 1.00 N ATOM 1257 CD2 HIS A 80 15.002 4.678 -1.213 1.00 1.48 C ATOM 1258 CE1 HIS A 80 13.765 4.194 0.499 1.00 0.21 C ATOM 1259 NE2 HIS A 80 14.420 3.624 -0.516 1.00 1.36 N ATOM 0 H HIS A 80 15.132 9.094 -2.672 1.00 0.32 H new ATOM 0 HA HIS A 80 13.018 7.346 -1.667 1.00 0.53 H new ATOM 0 HB2 HIS A 80 15.799 7.315 -1.716 1.00 0.50 H new ATOM 0 HB3 HIS A 80 15.484 7.773 -0.054 1.00 0.50 H new ATOM 0 HD1 HIS A 80 13.485 6.186 1.156 1.00 1.00 H new ATOM 0 HD2 HIS A 80 15.612 4.576 -2.099 1.00 1.48 H new ATOM 0 HE1 HIS A 80 13.201 3.647 1.240 1.00 0.21 H new ATOM 1267 N LYS A 81 13.772 10.126 -0.107 1.00 0.63 N ATOM 1268 CA LYS A 81 13.322 11.012 1.005 1.00 0.85 C ATOM 1269 C LYS A 81 11.831 11.320 0.853 1.00 0.87 C ATOM 1270 O LYS A 81 11.116 11.466 1.824 1.00 1.04 O ATOM 1271 CB LYS A 81 14.116 12.321 0.967 1.00 0.91 C ATOM 1272 CG LYS A 81 14.952 12.458 2.243 1.00 1.29 C ATOM 1273 CD LYS A 81 14.864 13.895 2.760 1.00 1.34 C ATOM 1274 CE LYS A 81 16.074 14.689 2.266 1.00 2.52 C ATOM 1275 NZ LYS A 81 17.234 14.438 3.168 1.00 2.39 N ATOM 0 H LYS A 81 14.458 10.538 -0.740 1.00 0.63 H new ATOM 0 HA LYS A 81 13.491 10.507 1.956 1.00 0.85 H new ATOM 0 HB2 LYS A 81 14.766 12.338 0.092 1.00 0.91 H new ATOM 0 HB3 LYS A 81 13.435 13.167 0.875 1.00 0.91 H new ATOM 0 HG2 LYS A 81 14.591 11.764 3.003 1.00 1.29 H new ATOM 0 HG3 LYS A 81 15.990 12.197 2.040 1.00 1.29 H new ATOM 0 HD2 LYS A 81 13.942 14.362 2.413 1.00 1.34 H new ATOM 0 HD3 LYS A 81 14.833 13.900 3.850 1.00 1.34 H new ATOM 0 HE2 LYS A 81 16.323 14.396 1.246 1.00 2.52 H new ATOM 0 HE3 LYS A 81 15.840 15.753 2.244 1.00 2.52 H new ATOM 0 HZ1 LYS A 81 18.057 14.978 2.833 1.00 2.39 H new ATOM 0 HZ2 LYS A 81 16.994 14.738 4.134 1.00 2.39 H new ATOM 0 HZ3 LYS A 81 17.461 13.423 3.167 1.00 2.39 H new ATOM 1289 N GLN A 82 11.358 11.424 -0.357 1.00 0.73 N ATOM 1290 CA GLN A 82 9.914 11.727 -0.571 1.00 0.78 C ATOM 1291 C GLN A 82 9.099 10.426 -0.596 1.00 0.73 C ATOM 1292 O GLN A 82 7.899 10.437 -0.403 1.00 0.66 O ATOM 1293 CB GLN A 82 9.741 12.457 -1.904 1.00 0.92 C ATOM 1294 CG GLN A 82 10.658 13.681 -1.940 1.00 1.44 C ATOM 1295 CD GLN A 82 9.835 14.927 -2.267 1.00 1.94 C ATOM 1296 OE1 GLN A 82 9.982 15.505 -3.326 1.00 2.23 O ATOM 1297 NE2 GLN A 82 8.967 15.370 -1.398 1.00 2.77 N ATOM 0 H GLN A 82 11.909 11.312 -1.208 1.00 0.73 H new ATOM 0 HA GLN A 82 9.558 12.356 0.245 1.00 0.78 H new ATOM 0 HB2 GLN A 82 9.978 11.787 -2.731 1.00 0.92 H new ATOM 0 HB3 GLN A 82 8.703 12.764 -2.030 1.00 0.92 H new ATOM 0 HG2 GLN A 82 11.156 13.804 -0.978 1.00 1.44 H new ATOM 0 HG3 GLN A 82 11.439 13.542 -2.688 1.00 1.44 H new ATOM 0 HE21 GLN A 82 8.843 14.886 -0.509 1.00 2.77 H new ATOM 0 HE22 GLN A 82 8.413 16.200 -1.608 1.00 2.77 H new ATOM 1306 N LEU A 83 9.730 9.308 -0.842 1.00 0.79 N ATOM 1307 CA LEU A 83 8.976 8.022 -0.887 1.00 0.75 C ATOM 1308 C LEU A 83 8.528 7.624 0.523 1.00 0.69 C ATOM 1309 O LEU A 83 7.363 7.383 0.766 1.00 0.83 O ATOM 1310 CB LEU A 83 9.879 6.928 -1.463 1.00 0.77 C ATOM 1311 CG LEU A 83 9.079 5.636 -1.638 1.00 0.63 C ATOM 1312 CD1 LEU A 83 8.280 5.698 -2.940 1.00 1.34 C ATOM 1313 CD2 LEU A 83 10.040 4.445 -1.689 1.00 0.83 C ATOM 0 H LEU A 83 10.733 9.230 -1.013 1.00 0.79 H new ATOM 0 HA LEU A 83 8.095 8.145 -1.517 1.00 0.75 H new ATOM 0 HB2 LEU A 83 10.286 7.247 -2.422 1.00 0.77 H new ATOM 0 HB3 LEU A 83 10.726 6.755 -0.799 1.00 0.77 H new ATOM 0 HG LEU A 83 8.394 5.519 -0.798 1.00 0.63 H new ATOM 0 HD11 LEU A 83 7.711 4.776 -3.062 1.00 1.34 H new ATOM 0 HD12 LEU A 83 7.595 6.545 -2.907 1.00 1.34 H new ATOM 0 HD13 LEU A 83 8.963 5.817 -3.781 1.00 1.34 H new ATOM 0 HD21 LEU A 83 9.471 3.524 -1.814 1.00 0.83 H new ATOM 0 HD22 LEU A 83 10.724 4.565 -2.529 1.00 0.83 H new ATOM 0 HD23 LEU A 83 10.610 4.397 -0.761 1.00 0.83 H new ATOM 1325 N ILE A 84 9.442 7.541 1.453 1.00 0.54 N ATOM 1326 CA ILE A 84 9.060 7.144 2.842 1.00 0.47 C ATOM 1327 C ILE A 84 7.951 8.063 3.355 1.00 0.50 C ATOM 1328 O ILE A 84 7.090 7.649 4.103 1.00 0.53 O ATOM 1329 CB ILE A 84 10.274 7.258 3.770 1.00 0.49 C ATOM 1330 CG1 ILE A 84 11.446 6.426 3.229 1.00 0.51 C ATOM 1331 CG2 ILE A 84 9.897 6.751 5.164 1.00 0.45 C ATOM 1332 CD1 ILE A 84 10.928 5.175 2.512 1.00 0.25 C ATOM 0 H ILE A 84 10.434 7.730 1.313 1.00 0.54 H new ATOM 0 HA ILE A 84 8.707 6.113 2.829 1.00 0.47 H new ATOM 0 HB ILE A 84 10.578 8.303 3.822 1.00 0.49 H new ATOM 0 HG12 ILE A 84 12.040 7.027 2.541 1.00 0.51 H new ATOM 0 HG13 ILE A 84 12.104 6.137 4.049 1.00 0.51 H new ATOM 0 HG21 ILE A 84 10.759 6.831 5.826 1.00 0.45 H new ATOM 0 HG22 ILE A 84 9.078 7.351 5.560 1.00 0.45 H new ATOM 0 HG23 ILE A 84 9.585 5.709 5.100 1.00 0.45 H new ATOM 0 HD11 ILE A 84 11.771 4.597 2.135 1.00 0.25 H new ATOM 0 HD12 ILE A 84 10.354 4.566 3.211 1.00 0.25 H new ATOM 0 HD13 ILE A 84 10.289 5.471 1.680 1.00 0.25 H new ATOM 1344 N ARG A 85 7.964 9.306 2.967 1.00 0.48 N ATOM 1345 CA ARG A 85 6.906 10.243 3.443 1.00 0.50 C ATOM 1346 C ARG A 85 5.551 9.828 2.865 1.00 0.50 C ATOM 1347 O ARG A 85 4.586 9.647 3.580 1.00 0.46 O ATOM 1348 CB ARG A 85 7.242 11.662 2.983 1.00 0.53 C ATOM 1349 CG ARG A 85 7.398 12.570 4.204 1.00 0.82 C ATOM 1350 CD ARG A 85 8.128 13.850 3.797 1.00 0.83 C ATOM 1351 NE ARG A 85 7.131 14.894 3.422 1.00 1.24 N ATOM 1352 CZ ARG A 85 7.479 16.156 3.319 1.00 1.60 C ATOM 1353 NH1 ARG A 85 8.713 16.543 3.546 1.00 1.29 N ATOM 1354 NH2 ARG A 85 6.581 17.042 2.987 1.00 2.66 N ATOM 0 H ARG A 85 8.659 9.715 2.342 1.00 0.48 H new ATOM 0 HA ARG A 85 6.858 10.212 4.532 1.00 0.50 H new ATOM 0 HB2 ARG A 85 8.163 11.658 2.399 1.00 0.53 H new ATOM 0 HB3 ARG A 85 6.454 12.041 2.333 1.00 0.53 H new ATOM 0 HG2 ARG A 85 6.419 12.813 4.618 1.00 0.82 H new ATOM 0 HG3 ARG A 85 7.955 12.054 4.986 1.00 0.82 H new ATOM 0 HD2 ARG A 85 8.749 14.204 4.620 1.00 0.83 H new ATOM 0 HD3 ARG A 85 8.794 13.650 2.958 1.00 0.83 H new ATOM 0 HE ARG A 85 6.164 14.624 3.243 1.00 1.24 H new ATOM 0 HH11 ARG A 85 9.422 15.858 3.808 1.00 1.29 H new ATOM 0 HH12 ARG A 85 8.962 17.528 3.460 1.00 1.29 H new ATOM 0 HH21 ARG A 85 5.619 16.752 2.810 1.00 2.66 H new ATOM 0 HH22 ARG A 85 6.841 18.025 2.904 1.00 2.66 H new ATOM 1368 N PHE A 86 5.475 9.685 1.572 1.00 0.59 N ATOM 1369 CA PHE A 86 4.188 9.292 0.930 1.00 0.61 C ATOM 1370 C PHE A 86 3.650 8.010 1.573 1.00 0.54 C ATOM 1371 O PHE A 86 2.455 7.790 1.636 1.00 0.43 O ATOM 1372 CB PHE A 86 4.429 9.046 -0.560 1.00 0.66 C ATOM 1373 CG PHE A 86 3.594 10.002 -1.375 1.00 0.71 C ATOM 1374 CD1 PHE A 86 2.208 10.053 -1.189 1.00 1.17 C ATOM 1375 CD2 PHE A 86 4.206 10.836 -2.318 1.00 0.60 C ATOM 1376 CE1 PHE A 86 1.433 10.938 -1.945 1.00 1.24 C ATOM 1377 CE2 PHE A 86 3.431 11.722 -3.076 1.00 0.63 C ATOM 1378 CZ PHE A 86 2.044 11.773 -2.889 1.00 0.84 C ATOM 0 H PHE A 86 6.253 9.824 0.927 1.00 0.59 H new ATOM 0 HA PHE A 86 3.459 10.091 1.065 1.00 0.61 H new ATOM 0 HB2 PHE A 86 5.485 9.180 -0.794 1.00 0.66 H new ATOM 0 HB3 PHE A 86 4.174 8.017 -0.814 1.00 0.66 H new ATOM 0 HD1 PHE A 86 1.737 9.409 -0.461 1.00 1.17 H new ATOM 0 HD2 PHE A 86 5.276 10.796 -2.461 1.00 0.60 H new ATOM 0 HE1 PHE A 86 0.363 10.978 -1.801 1.00 1.24 H new ATOM 0 HE2 PHE A 86 3.902 12.365 -3.804 1.00 0.63 H new ATOM 0 HZ PHE A 86 1.445 12.456 -3.473 1.00 0.84 H new ATOM 1388 N LEU A 87 4.520 7.158 2.041 1.00 0.64 N ATOM 1389 CA LEU A 87 4.058 5.884 2.667 1.00 0.58 C ATOM 1390 C LEU A 87 3.451 6.166 4.042 1.00 0.53 C ATOM 1391 O LEU A 87 2.412 5.645 4.389 1.00 0.54 O ATOM 1392 CB LEU A 87 5.249 4.938 2.822 1.00 0.57 C ATOM 1393 CG LEU A 87 4.788 3.499 2.595 1.00 0.35 C ATOM 1394 CD1 LEU A 87 5.942 2.681 2.015 1.00 0.89 C ATOM 1395 CD2 LEU A 87 4.350 2.889 3.929 1.00 1.63 C ATOM 0 H LEU A 87 5.531 7.288 2.018 1.00 0.64 H new ATOM 0 HA LEU A 87 3.301 5.425 2.031 1.00 0.58 H new ATOM 0 HB2 LEU A 87 6.030 5.198 2.107 1.00 0.57 H new ATOM 0 HB3 LEU A 87 5.681 5.040 3.817 1.00 0.57 H new ATOM 0 HG LEU A 87 3.950 3.490 1.898 1.00 0.35 H new ATOM 0 HD11 LEU A 87 5.614 1.654 1.853 1.00 0.89 H new ATOM 0 HD12 LEU A 87 6.256 3.116 1.066 1.00 0.89 H new ATOM 0 HD13 LEU A 87 6.780 2.689 2.712 1.00 0.89 H new ATOM 0 HD21 LEU A 87 4.021 1.862 3.769 1.00 1.63 H new ATOM 0 HD22 LEU A 87 5.188 2.897 4.625 1.00 1.63 H new ATOM 0 HD23 LEU A 87 3.528 3.473 4.344 1.00 1.63 H new ATOM 1407 N LYS A 88 4.094 6.980 4.830 1.00 0.52 N ATOM 1408 CA LYS A 88 3.559 7.289 6.186 1.00 0.49 C ATOM 1409 C LYS A 88 2.130 7.823 6.064 1.00 0.48 C ATOM 1410 O LYS A 88 1.267 7.498 6.855 1.00 0.43 O ATOM 1411 CB LYS A 88 4.450 8.341 6.848 1.00 0.53 C ATOM 1412 CG LYS A 88 5.858 7.771 7.034 1.00 0.37 C ATOM 1413 CD LYS A 88 6.863 8.916 7.169 1.00 0.97 C ATOM 1414 CE LYS A 88 6.779 9.505 8.578 1.00 0.80 C ATOM 1415 NZ LYS A 88 7.108 10.958 8.532 1.00 1.47 N ATOM 0 H LYS A 88 4.970 7.447 4.594 1.00 0.52 H new ATOM 0 HA LYS A 88 3.550 6.384 6.794 1.00 0.49 H new ATOM 0 HB2 LYS A 88 4.488 9.240 6.233 1.00 0.53 H new ATOM 0 HB3 LYS A 88 4.033 8.632 7.812 1.00 0.53 H new ATOM 0 HG2 LYS A 88 5.891 7.139 7.921 1.00 0.37 H new ATOM 0 HG3 LYS A 88 6.121 7.141 6.184 1.00 0.37 H new ATOM 0 HD2 LYS A 88 7.872 8.553 6.975 1.00 0.97 H new ATOM 0 HD3 LYS A 88 6.653 9.687 6.428 1.00 0.97 H new ATOM 0 HE2 LYS A 88 5.778 9.361 8.984 1.00 0.80 H new ATOM 0 HE3 LYS A 88 7.470 8.986 9.242 1.00 0.80 H new ATOM 0 HZ1 LYS A 88 7.051 11.357 9.491 1.00 1.47 H new ATOM 0 HZ2 LYS A 88 8.072 11.084 8.161 1.00 1.47 H new ATOM 0 HZ3 LYS A 88 6.432 11.448 7.912 1.00 1.47 H new ATOM 1429 N ARG A 89 1.873 8.641 5.080 1.00 0.52 N ATOM 1430 CA ARG A 89 0.499 9.194 4.910 1.00 0.51 C ATOM 1431 C ARG A 89 -0.471 8.061 4.567 1.00 0.48 C ATOM 1432 O ARG A 89 -1.533 7.938 5.146 1.00 0.45 O ATOM 1433 CB ARG A 89 0.501 10.218 3.772 1.00 0.54 C ATOM 1434 CG ARG A 89 1.303 11.450 4.193 1.00 2.07 C ATOM 1435 CD ARG A 89 0.345 12.540 4.679 1.00 2.32 C ATOM 1436 NE ARG A 89 -0.388 13.114 3.513 1.00 1.98 N ATOM 1437 CZ ARG A 89 -1.456 13.859 3.687 1.00 2.54 C ATOM 1438 NH1 ARG A 89 -1.913 14.122 4.888 1.00 3.55 N ATOM 1439 NH2 ARG A 89 -2.073 14.346 2.646 1.00 2.41 N ATOM 0 H ARG A 89 2.554 8.950 4.387 1.00 0.52 H new ATOM 0 HA ARG A 89 0.185 9.674 5.837 1.00 0.51 H new ATOM 0 HB2 ARG A 89 0.935 9.778 2.874 1.00 0.54 H new ATOM 0 HB3 ARG A 89 -0.521 10.504 3.525 1.00 0.54 H new ATOM 0 HG2 ARG A 89 2.004 11.188 4.985 1.00 2.07 H new ATOM 0 HG3 ARG A 89 1.893 11.817 3.354 1.00 2.07 H new ATOM 0 HD2 ARG A 89 -0.361 12.124 5.397 1.00 2.32 H new ATOM 0 HD3 ARG A 89 0.900 13.324 5.195 1.00 2.32 H new ATOM 0 HE ARG A 89 -0.055 12.925 2.567 1.00 1.98 H new ATOM 0 HH11 ARG A 89 -1.438 13.746 5.708 1.00 3.55 H new ATOM 0 HH12 ARG A 89 -2.744 14.703 5.002 1.00 3.55 H new ATOM 0 HH21 ARG A 89 -1.725 14.147 1.708 1.00 2.41 H new ATOM 0 HH22 ARG A 89 -2.903 14.926 2.770 1.00 2.41 H new ATOM 1453 N LEU A 90 -0.116 7.239 3.620 1.00 0.49 N ATOM 1454 CA LEU A 90 -1.016 6.118 3.225 1.00 0.47 C ATOM 1455 C LEU A 90 -1.068 5.046 4.323 1.00 0.40 C ATOM 1456 O LEU A 90 -1.869 4.137 4.264 1.00 0.35 O ATOM 1457 CB LEU A 90 -0.496 5.486 1.933 1.00 0.50 C ATOM 1458 CG LEU A 90 -1.533 4.496 1.397 1.00 0.39 C ATOM 1459 CD1 LEU A 90 -1.888 4.863 -0.044 1.00 0.45 C ATOM 1460 CD2 LEU A 90 -0.959 3.076 1.432 1.00 1.22 C ATOM 0 H LEU A 90 0.760 7.294 3.101 1.00 0.49 H new ATOM 0 HA LEU A 90 -2.020 6.515 3.076 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -0.298 6.260 1.191 1.00 0.50 H new ATOM 0 HB3 LEU A 90 0.448 4.975 2.120 1.00 0.50 H new ATOM 0 HG LEU A 90 -2.428 4.540 2.018 1.00 0.39 H new ATOM 0 HD11 LEU A 90 -2.626 4.159 -0.427 1.00 0.45 H new ATOM 0 HD12 LEU A 90 -2.300 5.872 -0.072 1.00 0.45 H new ATOM 0 HD13 LEU A 90 -0.991 4.820 -0.662 1.00 0.45 H new ATOM 0 HD21 LEU A 90 -1.700 2.374 1.050 1.00 1.22 H new ATOM 0 HD22 LEU A 90 -0.063 3.030 0.813 1.00 1.22 H new ATOM 0 HD23 LEU A 90 -0.705 2.812 2.458 1.00 1.22 H new ATOM 1472 N ASP A 91 -0.229 5.128 5.320 1.00 0.42 N ATOM 1473 CA ASP A 91 -0.257 4.094 6.394 1.00 0.35 C ATOM 1474 C ASP A 91 -1.528 4.254 7.233 1.00 0.27 C ATOM 1475 O ASP A 91 -2.192 3.292 7.563 1.00 0.25 O ATOM 1476 CB ASP A 91 0.971 4.260 7.294 1.00 0.39 C ATOM 1477 CG ASP A 91 1.536 2.883 7.650 1.00 0.42 C ATOM 1478 OD1 ASP A 91 0.861 2.152 8.357 1.00 0.64 O ATOM 1479 OD2 ASP A 91 2.634 2.583 7.211 1.00 1.38 O ATOM 0 H ASP A 91 0.470 5.861 5.437 1.00 0.42 H new ATOM 0 HA ASP A 91 -0.247 3.103 5.940 1.00 0.35 H new ATOM 0 HB2 ASP A 91 1.729 4.855 6.785 1.00 0.39 H new ATOM 0 HB3 ASP A 91 0.699 4.799 8.202 1.00 0.39 H new ATOM 1484 N ARG A 92 -1.862 5.462 7.590 1.00 0.27 N ATOM 1485 CA ARG A 92 -3.080 5.689 8.421 1.00 0.23 C ATOM 1486 C ARG A 92 -4.307 5.926 7.528 1.00 0.18 C ATOM 1487 O ARG A 92 -5.429 5.744 7.950 1.00 0.18 O ATOM 1488 CB ARG A 92 -2.851 6.918 9.305 1.00 0.30 C ATOM 1489 CG ARG A 92 -4.037 7.113 10.253 1.00 1.46 C ATOM 1490 CD ARG A 92 -4.008 6.034 11.337 1.00 1.16 C ATOM 1491 NE ARG A 92 -5.399 5.527 11.581 1.00 2.87 N ATOM 1492 CZ ARG A 92 -6.403 6.338 11.832 1.00 3.61 C ATOM 1493 NH1 ARG A 92 -6.206 7.601 12.118 1.00 3.40 N ATOM 1494 NH2 ARG A 92 -7.616 5.859 11.871 1.00 5.13 N ATOM 0 H ARG A 92 -1.344 6.305 7.342 1.00 0.27 H new ATOM 0 HA ARG A 92 -3.263 4.808 9.036 1.00 0.23 H new ATOM 0 HB2 ARG A 92 -1.933 6.796 9.879 1.00 0.30 H new ATOM 0 HB3 ARG A 92 -2.723 7.804 8.683 1.00 0.30 H new ATOM 0 HG2 ARG A 92 -3.993 8.102 10.709 1.00 1.46 H new ATOM 0 HG3 ARG A 92 -4.973 7.060 9.697 1.00 1.46 H new ATOM 0 HD2 ARG A 92 -3.360 5.213 11.030 1.00 1.16 H new ATOM 0 HD3 ARG A 92 -3.592 6.441 12.258 1.00 1.16 H new ATOM 0 HE ARG A 92 -5.571 4.522 11.551 1.00 2.87 H new ATOM 0 HH11 ARG A 92 -5.257 7.975 12.150 1.00 3.40 H new ATOM 0 HH12 ARG A 92 -7.001 8.211 12.309 1.00 3.40 H new ATOM 0 HH21 ARG A 92 -7.777 4.865 11.708 1.00 5.13 H new ATOM 0 HH22 ARG A 92 -8.403 6.478 12.065 1.00 5.13 H new ATOM 1508 N ASN A 93 -4.112 6.353 6.311 1.00 0.18 N ATOM 1509 CA ASN A 93 -5.283 6.627 5.423 1.00 0.16 C ATOM 1510 C ASN A 93 -5.836 5.336 4.807 1.00 0.18 C ATOM 1511 O ASN A 93 -7.025 5.214 4.584 1.00 0.26 O ATOM 1512 CB ASN A 93 -4.851 7.573 4.301 1.00 0.18 C ATOM 1513 CG ASN A 93 -5.295 8.999 4.636 1.00 0.40 C ATOM 1514 OD1 ASN A 93 -6.337 9.200 5.225 1.00 1.43 O ATOM 1515 ND2 ASN A 93 -4.541 10.004 4.284 1.00 0.95 N ATOM 0 H ASN A 93 -3.198 6.524 5.892 1.00 0.18 H new ATOM 0 HA ASN A 93 -6.069 7.081 6.026 1.00 0.16 H new ATOM 0 HB2 ASN A 93 -3.769 7.537 4.177 1.00 0.18 H new ATOM 0 HB3 ASN A 93 -5.290 7.257 3.355 1.00 0.18 H new ATOM 0 HD21 ASN A 93 -4.827 10.958 4.504 1.00 0.95 H new ATOM 0 HD22 ASN A 93 -3.665 9.836 3.789 1.00 0.95 H new ATOM 1522 N LEU A 94 -4.998 4.388 4.503 1.00 0.17 N ATOM 1523 CA LEU A 94 -5.498 3.130 3.872 1.00 0.23 C ATOM 1524 C LEU A 94 -6.385 2.341 4.842 1.00 0.25 C ATOM 1525 O LEU A 94 -7.531 2.059 4.554 1.00 0.37 O ATOM 1526 CB LEU A 94 -4.311 2.261 3.451 1.00 0.21 C ATOM 1527 CG LEU A 94 -4.630 1.573 2.122 1.00 0.48 C ATOM 1528 CD1 LEU A 94 -4.538 2.591 0.985 1.00 1.04 C ATOM 1529 CD2 LEU A 94 -3.622 0.450 1.875 1.00 0.76 C ATOM 0 H LEU A 94 -3.991 4.426 4.662 1.00 0.17 H new ATOM 0 HA LEU A 94 -6.093 3.399 2.999 1.00 0.23 H new ATOM 0 HB2 LEU A 94 -3.415 2.874 3.350 1.00 0.21 H new ATOM 0 HB3 LEU A 94 -4.102 1.515 4.218 1.00 0.21 H new ATOM 0 HG LEU A 94 -5.638 1.159 2.162 1.00 0.48 H new ATOM 0 HD11 LEU A 94 -4.765 2.101 0.038 1.00 1.04 H new ATOM 0 HD12 LEU A 94 -5.253 3.395 1.158 1.00 1.04 H new ATOM 0 HD13 LEU A 94 -3.530 3.004 0.947 1.00 1.04 H new ATOM 0 HD21 LEU A 94 -3.849 -0.041 0.928 1.00 0.76 H new ATOM 0 HD22 LEU A 94 -2.616 0.867 1.836 1.00 0.76 H new ATOM 0 HD23 LEU A 94 -3.682 -0.278 2.684 1.00 0.76 H new ATOM 1541 N TRP A 95 -5.865 1.957 5.976 1.00 0.21 N ATOM 1542 CA TRP A 95 -6.683 1.156 6.938 1.00 0.35 C ATOM 1543 C TRP A 95 -7.435 2.058 7.919 1.00 0.24 C ATOM 1544 O TRP A 95 -8.367 1.629 8.569 1.00 0.26 O ATOM 1545 CB TRP A 95 -5.765 0.209 7.704 1.00 0.50 C ATOM 1546 CG TRP A 95 -5.552 0.691 9.102 1.00 0.33 C ATOM 1547 CD1 TRP A 95 -4.893 1.818 9.442 1.00 0.60 C ATOM 1548 CD2 TRP A 95 -5.965 0.065 10.349 1.00 0.77 C ATOM 1549 NE1 TRP A 95 -4.893 1.939 10.821 1.00 0.55 N ATOM 1550 CE2 TRP A 95 -5.542 0.878 11.425 1.00 0.39 C ATOM 1551 CE3 TRP A 95 -6.669 -1.115 10.645 1.00 1.58 C ATOM 1552 CZ2 TRP A 95 -5.804 0.529 12.752 1.00 0.71 C ATOM 1553 CZ3 TRP A 95 -6.933 -1.469 11.977 1.00 1.94 C ATOM 1554 CH2 TRP A 95 -6.502 -0.648 13.029 1.00 1.50 C ATOM 0 H TRP A 95 -4.913 2.161 6.279 1.00 0.21 H new ATOM 0 HA TRP A 95 -7.424 0.588 6.375 1.00 0.35 H new ATOM 0 HB2 TRP A 95 -6.199 -0.791 7.721 1.00 0.50 H new ATOM 0 HB3 TRP A 95 -4.806 0.131 7.191 1.00 0.50 H new ATOM 0 HD1 TRP A 95 -4.439 2.513 8.751 1.00 0.60 H new ATOM 0 HE1 TRP A 95 -4.467 2.715 11.328 1.00 0.55 H new ATOM 0 HE3 TRP A 95 -7.009 -1.753 9.843 1.00 1.58 H new ATOM 0 HZ2 TRP A 95 -5.469 1.165 13.558 1.00 0.71 H new ATOM 0 HZ3 TRP A 95 -7.472 -2.380 12.193 1.00 1.94 H new ATOM 0 HH2 TRP A 95 -6.710 -0.926 14.052 1.00 1.50 H new ATOM 1565 N GLY A 96 -7.034 3.291 8.045 1.00 0.11 N ATOM 1566 CA GLY A 96 -7.732 4.211 8.994 1.00 0.04 C ATOM 1567 C GLY A 96 -9.238 4.194 8.719 1.00 0.11 C ATOM 1568 O GLY A 96 -10.044 4.219 9.628 1.00 0.08 O ATOM 0 H GLY A 96 -6.254 3.705 7.534 1.00 0.11 H new ATOM 0 HA2 GLY A 96 -7.537 3.904 10.022 1.00 0.04 H new ATOM 0 HA3 GLY A 96 -7.344 5.224 8.885 1.00 0.04 H new ATOM 1572 N LEU A 97 -9.625 4.144 7.472 1.00 0.30 N ATOM 1573 CA LEU A 97 -11.079 4.120 7.144 1.00 0.45 C ATOM 1574 C LEU A 97 -11.640 2.725 7.430 1.00 0.47 C ATOM 1575 O LEU A 97 -12.794 2.571 7.780 1.00 0.53 O ATOM 1576 CB LEU A 97 -11.276 4.451 5.663 1.00 0.60 C ATOM 1577 CG LEU A 97 -12.722 4.155 5.262 1.00 0.85 C ATOM 1578 CD1 LEU A 97 -13.213 5.232 4.294 1.00 1.34 C ATOM 1579 CD2 LEU A 97 -12.794 2.787 4.578 1.00 1.52 C ATOM 0 H LEU A 97 -8.998 4.119 6.668 1.00 0.30 H new ATOM 0 HA LEU A 97 -11.601 4.858 7.754 1.00 0.45 H new ATOM 0 HB2 LEU A 97 -11.044 5.500 5.480 1.00 0.60 H new ATOM 0 HB3 LEU A 97 -10.591 3.862 5.054 1.00 0.60 H new ATOM 0 HG LEU A 97 -13.351 4.150 6.152 1.00 0.85 H new ATOM 0 HD11 LEU A 97 -14.243 5.022 4.008 1.00 1.34 H new ATOM 0 HD12 LEU A 97 -13.163 6.207 4.779 1.00 1.34 H new ATOM 0 HD13 LEU A 97 -12.583 5.236 3.404 1.00 1.34 H new ATOM 0 HD21 LEU A 97 -13.825 2.577 4.293 1.00 1.52 H new ATOM 0 HD22 LEU A 97 -12.165 2.792 3.688 1.00 1.52 H new ATOM 0 HD23 LEU A 97 -12.444 2.017 5.266 1.00 1.52 H new ATOM 1591 N ALA A 98 -10.831 1.711 7.276 1.00 0.47 N ATOM 1592 CA ALA A 98 -11.304 0.319 7.534 1.00 0.57 C ATOM 1593 C ALA A 98 -11.956 0.238 8.916 1.00 0.67 C ATOM 1594 O ALA A 98 -13.006 -0.350 9.084 1.00 0.65 O ATOM 1595 CB ALA A 98 -10.110 -0.635 7.482 1.00 0.52 C ATOM 0 H ALA A 98 -9.858 1.787 6.981 1.00 0.47 H new ATOM 0 HA ALA A 98 -12.036 0.040 6.776 1.00 0.57 H new ATOM 0 HB1 ALA A 98 -10.450 -1.654 7.670 1.00 0.52 H new ATOM 0 HB2 ALA A 98 -9.645 -0.583 6.497 1.00 0.52 H new ATOM 0 HB3 ALA A 98 -9.383 -0.349 8.242 1.00 0.52 H new ATOM 1601 N GLY A 99 -11.342 0.825 9.905 1.00 0.84 N ATOM 1602 CA GLY A 99 -11.926 0.782 11.277 1.00 0.96 C ATOM 1603 C GLY A 99 -11.833 -0.641 11.833 1.00 1.16 C ATOM 1604 O GLY A 99 -12.812 -1.209 12.276 1.00 1.47 O ATOM 0 H GLY A 99 -10.461 1.333 9.824 1.00 0.84 H new ATOM 0 HA2 GLY A 99 -11.395 1.474 11.931 1.00 0.96 H new ATOM 0 HA3 GLY A 99 -12.967 1.105 11.250 1.00 0.96 H new ATOM 1608 N LEU A 100 -10.663 -1.221 11.818 1.00 1.00 N ATOM 1609 CA LEU A 100 -10.508 -2.606 12.348 1.00 1.25 C ATOM 1610 C LEU A 100 -9.543 -2.591 13.534 1.00 1.28 C ATOM 1611 O LEU A 100 -9.093 -1.549 13.966 1.00 1.70 O ATOM 1612 CB LEU A 100 -9.947 -3.514 11.251 1.00 1.11 C ATOM 1613 CG LEU A 100 -11.029 -4.493 10.792 1.00 1.73 C ATOM 1614 CD1 LEU A 100 -11.347 -5.476 11.920 1.00 1.47 C ATOM 1615 CD2 LEU A 100 -12.291 -3.713 10.424 1.00 3.01 C ATOM 0 H LEU A 100 -9.808 -0.795 11.461 1.00 1.00 H new ATOM 0 HA LEU A 100 -11.479 -2.981 12.670 1.00 1.25 H new ATOM 0 HB2 LEU A 100 -9.604 -2.914 10.408 1.00 1.11 H new ATOM 0 HB3 LEU A 100 -9.082 -4.062 11.625 1.00 1.11 H new ATOM 0 HG LEU A 100 -10.673 -5.047 9.923 1.00 1.73 H new ATOM 0 HD11 LEU A 100 -12.118 -6.172 11.590 1.00 1.47 H new ATOM 0 HD12 LEU A 100 -10.447 -6.031 12.184 1.00 1.47 H new ATOM 0 HD13 LEU A 100 -11.703 -4.927 12.792 1.00 1.47 H new ATOM 0 HD21 LEU A 100 -13.065 -4.407 10.096 1.00 3.01 H new ATOM 0 HD22 LEU A 100 -12.644 -3.160 11.295 1.00 3.01 H new ATOM 0 HD23 LEU A 100 -12.065 -3.015 9.618 1.00 3.01 H new ATOM 1627 N ASN A 101 -9.216 -3.740 14.062 1.00 1.27 N ATOM 1628 CA ASN A 101 -8.275 -3.788 15.216 1.00 1.27 C ATOM 1629 C ASN A 101 -7.046 -4.618 14.840 1.00 0.81 C ATOM 1630 O ASN A 101 -5.995 -4.087 14.539 1.00 0.53 O ATOM 1631 CB ASN A 101 -8.972 -4.427 16.418 1.00 1.73 C ATOM 1632 CG ASN A 101 -9.374 -3.338 17.414 1.00 1.90 C ATOM 1633 OD1 ASN A 101 -8.819 -3.247 18.490 1.00 1.98 O ATOM 1634 ND2 ASN A 101 -10.325 -2.502 17.097 1.00 3.18 N ATOM 0 H ASN A 101 -9.560 -4.646 13.744 1.00 1.27 H new ATOM 0 HA ASN A 101 -7.965 -2.775 15.472 1.00 1.27 H new ATOM 0 HB2 ASN A 101 -9.854 -4.978 16.090 1.00 1.73 H new ATOM 0 HB3 ASN A 101 -8.307 -5.146 16.897 1.00 1.73 H new ATOM 0 HD21 ASN A 101 -10.602 -1.772 17.753 1.00 3.18 H new ATOM 0 HD22 ASN A 101 -10.791 -2.579 16.193 1.00 3.18 H new ATOM 1641 N SER A 102 -7.167 -5.917 14.855 1.00 1.31 N ATOM 1642 CA SER A 102 -6.005 -6.778 14.499 1.00 0.97 C ATOM 1643 C SER A 102 -6.007 -7.042 12.990 1.00 0.69 C ATOM 1644 O SER A 102 -6.983 -6.797 12.308 1.00 0.88 O ATOM 1645 CB SER A 102 -6.107 -8.107 15.250 1.00 1.53 C ATOM 1646 OG SER A 102 -4.956 -8.893 14.971 1.00 2.39 O ATOM 0 H SER A 102 -8.021 -6.419 15.099 1.00 1.31 H new ATOM 0 HA SER A 102 -5.080 -6.273 14.777 1.00 0.97 H new ATOM 0 HB2 SER A 102 -6.188 -7.927 16.322 1.00 1.53 H new ATOM 0 HB3 SER A 102 -7.008 -8.641 14.948 1.00 1.53 H new ATOM 0 HG SER A 102 -5.017 -9.745 15.452 1.00 2.39 H new ATOM 1652 N CYS A 103 -4.920 -7.537 12.466 1.00 0.60 N ATOM 1653 CA CYS A 103 -4.853 -7.815 11.003 1.00 0.60 C ATOM 1654 C CYS A 103 -3.916 -9.007 10.759 1.00 0.67 C ATOM 1655 O CYS A 103 -2.743 -8.824 10.497 1.00 0.46 O ATOM 1656 CB CYS A 103 -4.315 -6.578 10.279 1.00 0.76 C ATOM 1657 SG CYS A 103 -5.384 -6.193 8.871 1.00 1.25 S ATOM 0 H CYS A 103 -4.073 -7.762 12.989 1.00 0.60 H new ATOM 0 HA CYS A 103 -5.847 -8.052 10.624 1.00 0.60 H new ATOM 0 HB2 CYS A 103 -4.277 -5.730 10.963 1.00 0.76 H new ATOM 0 HB3 CYS A 103 -3.296 -6.758 9.937 1.00 0.76 H new ATOM 1662 N PRO A 104 -4.457 -10.196 10.858 1.00 1.20 N ATOM 1663 CA PRO A 104 -3.675 -11.430 10.655 1.00 1.43 C ATOM 1664 C PRO A 104 -3.010 -11.419 9.278 1.00 1.14 C ATOM 1665 O PRO A 104 -3.585 -11.841 8.294 1.00 1.59 O ATOM 1666 CB PRO A 104 -4.701 -12.566 10.757 1.00 2.19 C ATOM 1667 CG PRO A 104 -6.071 -11.935 11.117 1.00 2.34 C ATOM 1668 CD PRO A 104 -5.881 -10.411 11.174 1.00 1.70 C ATOM 0 HA PRO A 104 -2.873 -11.538 11.386 1.00 1.43 H new ATOM 0 HB2 PRO A 104 -4.766 -13.108 9.814 1.00 2.19 H new ATOM 0 HB3 PRO A 104 -4.400 -13.286 11.518 1.00 2.19 H new ATOM 0 HG2 PRO A 104 -6.822 -12.200 10.372 1.00 2.34 H new ATOM 0 HG3 PRO A 104 -6.426 -12.313 12.076 1.00 2.34 H new ATOM 0 HD2 PRO A 104 -6.526 -9.905 10.456 1.00 1.70 H new ATOM 0 HD3 PRO A 104 -6.131 -10.018 12.159 1.00 1.70 H new ATOM 1676 N VAL A 105 -1.797 -10.943 9.202 1.00 0.61 N ATOM 1677 CA VAL A 105 -1.089 -10.907 7.890 1.00 0.66 C ATOM 1678 C VAL A 105 -0.020 -12.001 7.861 1.00 0.95 C ATOM 1679 O VAL A 105 1.121 -11.757 7.525 1.00 1.49 O ATOM 1680 CB VAL A 105 -0.421 -9.544 7.705 1.00 0.55 C ATOM 1681 CG1 VAL A 105 -1.492 -8.468 7.518 1.00 1.84 C ATOM 1682 CG2 VAL A 105 0.421 -9.217 8.942 1.00 2.02 C ATOM 0 H VAL A 105 -1.265 -10.577 9.992 1.00 0.61 H new ATOM 0 HA VAL A 105 -1.807 -11.072 7.086 1.00 0.66 H new ATOM 0 HB VAL A 105 0.221 -9.572 6.824 1.00 0.55 H new ATOM 0 HG11 VAL A 105 -1.014 -7.497 7.386 1.00 1.84 H new ATOM 0 HG12 VAL A 105 -2.091 -8.700 6.637 1.00 1.84 H new ATOM 0 HG13 VAL A 105 -2.136 -8.439 8.397 1.00 1.84 H new ATOM 0 HG21 VAL A 105 0.898 -8.246 8.811 1.00 2.02 H new ATOM 0 HG22 VAL A 105 -0.221 -9.191 9.823 1.00 2.02 H new ATOM 0 HG23 VAL A 105 1.186 -9.982 9.074 1.00 2.02 H new ATOM 1692 N LYS A 106 -0.380 -13.204 8.211 1.00 0.97 N ATOM 1693 CA LYS A 106 0.619 -14.310 8.204 1.00 1.31 C ATOM 1694 C LYS A 106 0.025 -15.551 7.530 1.00 1.03 C ATOM 1695 O LYS A 106 0.463 -16.658 7.764 1.00 1.49 O ATOM 1696 CB LYS A 106 1.002 -14.656 9.646 1.00 2.13 C ATOM 1697 CG LYS A 106 2.515 -14.512 9.824 1.00 2.92 C ATOM 1698 CD LYS A 106 2.935 -15.141 11.153 1.00 3.27 C ATOM 1699 CE LYS A 106 3.111 -16.650 10.973 1.00 3.16 C ATOM 1700 NZ LYS A 106 4.380 -16.918 10.239 1.00 4.08 N ATOM 0 H LYS A 106 -1.321 -13.470 8.501 1.00 0.97 H new ATOM 0 HA LYS A 106 1.502 -13.989 7.651 1.00 1.31 H new ATOM 0 HB2 LYS A 106 0.480 -13.997 10.340 1.00 2.13 H new ATOM 0 HB3 LYS A 106 0.693 -15.675 9.880 1.00 2.13 H new ATOM 0 HG2 LYS A 106 3.037 -14.997 8.999 1.00 2.92 H new ATOM 0 HG3 LYS A 106 2.796 -13.459 9.803 1.00 2.92 H new ATOM 0 HD2 LYS A 106 3.867 -14.695 11.500 1.00 3.27 H new ATOM 0 HD3 LYS A 106 2.183 -14.941 11.916 1.00 3.27 H new ATOM 0 HE2 LYS A 106 3.129 -17.143 11.945 1.00 3.16 H new ATOM 0 HE3 LYS A 106 2.266 -17.062 10.422 1.00 3.16 H new ATOM 0 HZ1 LYS A 106 4.685 -17.896 10.418 1.00 4.08 H new ATOM 0 HZ2 LYS A 106 4.226 -16.785 9.219 1.00 4.08 H new ATOM 0 HZ3 LYS A 106 5.116 -16.260 10.567 1.00 4.08 H new ATOM 1714 N GLU A 107 -0.967 -15.380 6.696 1.00 0.58 N ATOM 1715 CA GLU A 107 -1.574 -16.562 6.021 1.00 0.84 C ATOM 1716 C GLU A 107 -1.362 -16.457 4.521 1.00 0.73 C ATOM 1717 O GLU A 107 -2.235 -16.061 3.774 1.00 0.87 O ATOM 1718 CB GLU A 107 -3.069 -16.624 6.341 1.00 1.35 C ATOM 1719 CG GLU A 107 -3.696 -15.242 6.128 1.00 1.78 C ATOM 1720 CD GLU A 107 -5.162 -15.408 5.723 1.00 1.82 C ATOM 1721 OE1 GLU A 107 -5.932 -15.891 6.538 1.00 2.51 O ATOM 1722 OE2 GLU A 107 -5.491 -15.048 4.604 1.00 1.74 O ATOM 0 H GLU A 107 -1.380 -14.479 6.455 1.00 0.58 H new ATOM 0 HA GLU A 107 -1.097 -17.473 6.382 1.00 0.84 H new ATOM 0 HB2 GLU A 107 -3.558 -17.359 5.702 1.00 1.35 H new ATOM 0 HB3 GLU A 107 -3.218 -16.948 7.371 1.00 1.35 H new ATOM 0 HG2 GLU A 107 -3.624 -14.653 7.042 1.00 1.78 H new ATOM 0 HG3 GLU A 107 -3.153 -14.699 5.355 1.00 1.78 H new ATOM 1729 N ALA A 108 -0.196 -16.819 4.084 1.00 0.91 N ATOM 1730 CA ALA A 108 0.117 -16.762 2.640 1.00 1.06 C ATOM 1731 C ALA A 108 1.510 -17.347 2.428 1.00 1.19 C ATOM 1732 O ALA A 108 2.061 -17.996 3.294 1.00 1.80 O ATOM 1733 CB ALA A 108 0.072 -15.305 2.175 1.00 0.87 C ATOM 0 H ALA A 108 0.563 -17.157 4.675 1.00 0.91 H new ATOM 0 HA ALA A 108 -0.609 -17.335 2.063 1.00 1.06 H new ATOM 0 HB1 ALA A 108 0.302 -15.255 1.111 1.00 0.87 H new ATOM 0 HB2 ALA A 108 -0.924 -14.898 2.350 1.00 0.87 H new ATOM 0 HB3 ALA A 108 0.806 -14.722 2.732 1.00 0.87 H new ATOM 1739 N ASP A 109 2.082 -17.120 1.292 1.00 0.68 N ATOM 1740 CA ASP A 109 3.445 -17.656 1.015 1.00 0.80 C ATOM 1741 C ASP A 109 4.346 -16.515 0.548 1.00 0.86 C ATOM 1742 O ASP A 109 3.875 -15.464 0.162 1.00 1.29 O ATOM 1743 CB ASP A 109 3.362 -18.723 -0.078 1.00 0.95 C ATOM 1744 CG ASP A 109 3.848 -20.063 0.477 1.00 0.89 C ATOM 1745 OD1 ASP A 109 4.980 -20.121 0.928 1.00 0.99 O ATOM 1746 OD2 ASP A 109 3.079 -21.010 0.442 1.00 1.44 O ATOM 0 H ASP A 109 1.667 -16.582 0.531 1.00 0.68 H new ATOM 0 HA ASP A 109 3.856 -18.101 1.921 1.00 0.80 H new ATOM 0 HB2 ASP A 109 2.336 -18.815 -0.433 1.00 0.95 H new ATOM 0 HB3 ASP A 109 3.970 -18.430 -0.934 1.00 0.95 H new ATOM 1751 N GLN A 110 5.637 -16.709 0.577 1.00 0.84 N ATOM 1752 CA GLN A 110 6.561 -15.628 0.129 1.00 0.88 C ATOM 1753 C GLN A 110 6.168 -15.183 -1.280 1.00 0.85 C ATOM 1754 O GLN A 110 6.362 -15.898 -2.243 1.00 1.19 O ATOM 1755 CB GLN A 110 7.998 -16.155 0.114 1.00 1.03 C ATOM 1756 CG GLN A 110 8.880 -15.269 0.996 1.00 0.70 C ATOM 1757 CD GLN A 110 8.866 -15.802 2.430 1.00 0.85 C ATOM 1758 OE1 GLN A 110 9.679 -16.629 2.792 1.00 1.20 O ATOM 1759 NE2 GLN A 110 7.969 -15.359 3.268 1.00 1.48 N ATOM 0 H GLN A 110 6.091 -17.567 0.891 1.00 0.84 H new ATOM 0 HA GLN A 110 6.494 -14.783 0.814 1.00 0.88 H new ATOM 0 HB2 GLN A 110 8.022 -17.183 0.475 1.00 1.03 H new ATOM 0 HB3 GLN A 110 8.381 -16.166 -0.906 1.00 1.03 H new ATOM 0 HG2 GLN A 110 9.900 -15.255 0.612 1.00 0.70 H new ATOM 0 HG3 GLN A 110 8.518 -14.241 0.975 1.00 0.70 H new ATOM 0 HE21 GLN A 110 7.286 -14.665 2.964 1.00 1.48 H new ATOM 0 HE22 GLN A 110 7.951 -15.707 4.227 1.00 1.48 H new ATOM 1768 N SER A 111 5.612 -14.009 -1.409 1.00 0.63 N ATOM 1769 CA SER A 111 5.201 -13.527 -2.763 1.00 0.61 C ATOM 1770 C SER A 111 5.919 -12.214 -3.082 1.00 0.58 C ATOM 1771 O SER A 111 5.805 -11.257 -2.351 1.00 0.90 O ATOM 1772 CB SER A 111 3.688 -13.301 -2.788 1.00 0.84 C ATOM 1773 OG SER A 111 3.418 -11.984 -3.251 1.00 0.25 O ATOM 0 H SER A 111 5.424 -13.364 -0.641 1.00 0.63 H new ATOM 0 HA SER A 111 5.469 -14.275 -3.509 1.00 0.61 H new ATOM 0 HB2 SER A 111 3.210 -14.033 -3.439 1.00 0.84 H new ATOM 0 HB3 SER A 111 3.271 -13.441 -1.791 1.00 0.84 H new ATOM 0 HG SER A 111 2.533 -11.960 -3.671 1.00 0.25 H new ATOM 1779 N THR A 112 6.655 -12.180 -4.172 1.00 0.79 N ATOM 1780 CA THR A 112 7.408 -10.945 -4.575 1.00 0.68 C ATOM 1781 C THR A 112 6.560 -9.687 -4.348 1.00 0.76 C ATOM 1782 O THR A 112 5.482 -9.550 -4.891 1.00 0.62 O ATOM 1783 CB THR A 112 7.779 -11.047 -6.059 1.00 0.61 C ATOM 1784 OG1 THR A 112 6.594 -11.122 -6.839 1.00 0.70 O ATOM 1785 CG2 THR A 112 8.628 -12.299 -6.295 1.00 0.55 C ATOM 0 H THR A 112 6.767 -12.969 -4.809 1.00 0.79 H new ATOM 0 HA THR A 112 8.308 -10.869 -3.964 1.00 0.68 H new ATOM 0 HB THR A 112 8.351 -10.166 -6.349 1.00 0.61 H new ATOM 0 HG1 THR A 112 5.846 -10.738 -6.336 1.00 0.70 H new ATOM 0 HG21 THR A 112 8.889 -12.368 -7.351 1.00 0.55 H new ATOM 0 HG22 THR A 112 9.539 -12.239 -5.699 1.00 0.55 H new ATOM 0 HG23 THR A 112 8.061 -13.183 -6.003 1.00 0.55 H new ATOM 1793 N LEU A 113 7.044 -8.772 -3.542 1.00 1.01 N ATOM 1794 CA LEU A 113 6.272 -7.521 -3.271 1.00 1.12 C ATOM 1795 C LEU A 113 5.862 -6.872 -4.594 1.00 1.06 C ATOM 1796 O LEU A 113 4.886 -6.162 -4.667 1.00 1.17 O ATOM 1797 CB LEU A 113 7.135 -6.532 -2.481 1.00 1.24 C ATOM 1798 CG LEU A 113 6.289 -5.316 -2.090 1.00 1.09 C ATOM 1799 CD1 LEU A 113 5.291 -5.715 -1.001 1.00 1.63 C ATOM 1800 CD2 LEU A 113 7.198 -4.207 -1.557 1.00 1.51 C ATOM 0 H LEU A 113 7.941 -8.839 -3.061 1.00 1.01 H new ATOM 0 HA LEU A 113 5.385 -7.776 -2.691 1.00 1.12 H new ATOM 0 HB2 LEU A 113 7.534 -7.013 -1.588 1.00 1.24 H new ATOM 0 HB3 LEU A 113 7.988 -6.217 -3.082 1.00 1.24 H new ATOM 0 HG LEU A 113 5.751 -4.957 -2.967 1.00 1.09 H new ATOM 0 HD11 LEU A 113 4.690 -4.849 -0.724 1.00 1.63 H new ATOM 0 HD12 LEU A 113 4.639 -6.504 -1.376 1.00 1.63 H new ATOM 0 HD13 LEU A 113 5.832 -6.076 -0.126 1.00 1.63 H new ATOM 0 HD21 LEU A 113 6.594 -3.343 -1.280 1.00 1.51 H new ATOM 0 HD22 LEU A 113 7.738 -4.568 -0.682 1.00 1.51 H new ATOM 0 HD23 LEU A 113 7.911 -3.918 -2.329 1.00 1.51 H new ATOM 1812 N GLU A 114 6.606 -7.105 -5.640 1.00 0.96 N ATOM 1813 CA GLU A 114 6.254 -6.496 -6.954 1.00 0.94 C ATOM 1814 C GLU A 114 4.833 -6.896 -7.345 1.00 0.85 C ATOM 1815 O GLU A 114 3.949 -6.067 -7.446 1.00 1.01 O ATOM 1816 CB GLU A 114 7.232 -6.996 -8.019 1.00 0.93 C ATOM 1817 CG GLU A 114 7.120 -6.122 -9.271 1.00 0.64 C ATOM 1818 CD GLU A 114 8.469 -6.090 -9.991 1.00 0.67 C ATOM 1819 OE1 GLU A 114 9.482 -6.079 -9.311 1.00 1.69 O ATOM 1820 OE2 GLU A 114 8.466 -6.082 -11.211 1.00 0.72 O ATOM 0 H GLU A 114 7.442 -7.690 -5.642 1.00 0.96 H new ATOM 0 HA GLU A 114 6.314 -5.410 -6.877 1.00 0.94 H new ATOM 0 HB2 GLU A 114 8.251 -6.967 -7.633 1.00 0.93 H new ATOM 0 HB3 GLU A 114 7.014 -8.035 -8.268 1.00 0.93 H new ATOM 0 HG2 GLU A 114 6.350 -6.516 -9.935 1.00 0.64 H new ATOM 0 HG3 GLU A 114 6.818 -5.111 -8.996 1.00 0.64 H new ATOM 1827 N ASN A 115 4.611 -8.159 -7.574 1.00 0.61 N ATOM 1828 CA ASN A 115 3.253 -8.624 -7.973 1.00 0.54 C ATOM 1829 C ASN A 115 2.206 -8.125 -6.975 1.00 0.41 C ATOM 1830 O ASN A 115 1.118 -7.746 -7.351 1.00 0.28 O ATOM 1831 CB ASN A 115 3.228 -10.153 -8.009 1.00 0.56 C ATOM 1832 CG ASN A 115 2.041 -10.660 -7.187 1.00 1.88 C ATOM 1833 OD1 ASN A 115 0.856 -10.706 -7.734 1.00 3.12 O flip ATOM 1834 ND2 ASN A 115 2.192 -11.017 -6.036 1.00 2.14 N flip ATOM 0 H ASN A 115 5.315 -8.894 -7.502 1.00 0.61 H new ATOM 0 HA ASN A 115 3.021 -8.226 -8.961 1.00 0.54 H new ATOM 0 HB2 ASN A 115 3.148 -10.502 -9.038 1.00 0.56 H new ATOM 0 HB3 ASN A 115 4.160 -10.553 -7.608 1.00 0.56 H new ATOM 0 HD21 ASN A 115 3.117 -10.981 -5.608 1.00 2.14 H new ATOM 0 HD22 ASN A 115 1.394 -11.353 -5.497 1.00 2.14 H new ATOM 1841 N PHE A 116 2.519 -8.126 -5.707 1.00 0.64 N ATOM 1842 CA PHE A 116 1.527 -7.654 -4.696 1.00 0.59 C ATOM 1843 C PHE A 116 1.036 -6.248 -5.067 1.00 0.57 C ATOM 1844 O PHE A 116 -0.123 -6.047 -5.375 1.00 0.62 O ATOM 1845 CB PHE A 116 2.182 -7.614 -3.313 1.00 0.63 C ATOM 1846 CG PHE A 116 1.390 -6.693 -2.419 1.00 0.45 C ATOM 1847 CD1 PHE A 116 0.059 -6.992 -2.111 1.00 0.54 C ATOM 1848 CD2 PHE A 116 1.986 -5.536 -1.903 1.00 0.47 C ATOM 1849 CE1 PHE A 116 -0.680 -6.133 -1.289 1.00 0.65 C ATOM 1850 CE2 PHE A 116 1.248 -4.678 -1.080 1.00 0.27 C ATOM 1851 CZ PHE A 116 -0.084 -4.975 -0.773 1.00 0.43 C ATOM 0 H PHE A 116 3.415 -8.432 -5.328 1.00 0.64 H new ATOM 0 HA PHE A 116 0.680 -8.340 -4.679 1.00 0.59 H new ATOM 0 HB2 PHE A 116 2.217 -8.616 -2.884 1.00 0.63 H new ATOM 0 HB3 PHE A 116 3.212 -7.266 -3.394 1.00 0.63 H new ATOM 0 HD1 PHE A 116 -0.399 -7.886 -2.508 1.00 0.54 H new ATOM 0 HD2 PHE A 116 3.014 -5.306 -2.140 1.00 0.47 H new ATOM 0 HE1 PHE A 116 -1.709 -6.363 -1.053 1.00 0.65 H new ATOM 0 HE2 PHE A 116 1.707 -3.786 -0.681 1.00 0.27 H new ATOM 0 HZ PHE A 116 -0.653 -4.312 -0.138 1.00 0.43 H new ATOM 1861 N LEU A 117 1.911 -5.281 -5.036 1.00 0.66 N ATOM 1862 CA LEU A 117 1.518 -3.884 -5.382 1.00 0.62 C ATOM 1863 C LEU A 117 0.795 -3.871 -6.732 1.00 0.55 C ATOM 1864 O LEU A 117 -0.043 -3.030 -6.990 1.00 0.47 O ATOM 1865 CB LEU A 117 2.778 -3.017 -5.475 1.00 0.70 C ATOM 1866 CG LEU A 117 2.689 -1.856 -4.482 1.00 0.65 C ATOM 1867 CD1 LEU A 117 1.421 -1.046 -4.758 1.00 1.92 C ATOM 1868 CD2 LEU A 117 2.650 -2.398 -3.049 1.00 1.95 C ATOM 0 H LEU A 117 2.892 -5.400 -4.783 1.00 0.66 H new ATOM 0 HA LEU A 117 0.853 -3.492 -4.612 1.00 0.62 H new ATOM 0 HB2 LEU A 117 3.661 -3.620 -5.264 1.00 0.70 H new ATOM 0 HB3 LEU A 117 2.890 -2.632 -6.488 1.00 0.70 H new ATOM 0 HG LEU A 117 3.564 -1.216 -4.598 1.00 0.65 H new ATOM 0 HD11 LEU A 117 1.357 -0.219 -4.051 1.00 1.92 H new ATOM 0 HD12 LEU A 117 1.454 -0.653 -5.774 1.00 1.92 H new ATOM 0 HD13 LEU A 117 0.547 -1.688 -4.646 1.00 1.92 H new ATOM 0 HD21 LEU A 117 2.587 -1.566 -2.347 1.00 1.95 H new ATOM 0 HD22 LEU A 117 1.780 -3.043 -2.927 1.00 1.95 H new ATOM 0 HD23 LEU A 117 3.556 -2.971 -2.852 1.00 1.95 H new ATOM 1880 N GLU A 118 1.108 -4.801 -7.593 1.00 0.61 N ATOM 1881 CA GLU A 118 0.434 -4.845 -8.920 1.00 0.59 C ATOM 1882 C GLU A 118 -1.070 -5.017 -8.714 1.00 0.41 C ATOM 1883 O GLU A 118 -1.866 -4.217 -9.162 1.00 0.37 O ATOM 1884 CB GLU A 118 0.979 -6.026 -9.728 1.00 0.70 C ATOM 1885 CG GLU A 118 0.863 -5.727 -11.223 1.00 0.94 C ATOM 1886 CD GLU A 118 1.758 -4.540 -11.581 1.00 1.97 C ATOM 1887 OE1 GLU A 118 2.921 -4.764 -11.871 1.00 2.59 O ATOM 1888 OE2 GLU A 118 1.264 -3.424 -11.558 1.00 2.67 O ATOM 0 H GLU A 118 1.802 -5.532 -7.434 1.00 0.61 H new ATOM 0 HA GLU A 118 0.625 -3.918 -9.461 1.00 0.59 H new ATOM 0 HB2 GLU A 118 2.021 -6.209 -9.464 1.00 0.70 H new ATOM 0 HB3 GLU A 118 0.424 -6.932 -9.485 1.00 0.70 H new ATOM 0 HG2 GLU A 118 1.155 -6.603 -11.803 1.00 0.94 H new ATOM 0 HG3 GLU A 118 -0.173 -5.505 -11.480 1.00 0.94 H new ATOM 1895 N ARG A 119 -1.460 -6.052 -8.025 1.00 0.37 N ATOM 1896 CA ARG A 119 -2.911 -6.283 -7.771 1.00 0.27 C ATOM 1897 C ARG A 119 -3.463 -5.172 -6.864 1.00 0.24 C ATOM 1898 O ARG A 119 -4.657 -5.011 -6.736 1.00 0.20 O ATOM 1899 CB ARG A 119 -3.097 -7.638 -7.081 1.00 0.41 C ATOM 1900 CG ARG A 119 -2.444 -8.742 -7.918 1.00 0.33 C ATOM 1901 CD ARG A 119 -3.193 -8.909 -9.242 1.00 1.00 C ATOM 1902 NE ARG A 119 -2.880 -10.252 -9.814 1.00 1.17 N ATOM 1903 CZ ARG A 119 -3.577 -10.749 -10.809 1.00 1.50 C ATOM 1904 NH1 ARG A 119 -4.562 -10.075 -11.353 1.00 2.04 N ATOM 1905 NH2 ARG A 119 -3.283 -11.934 -11.269 1.00 1.89 N ATOM 0 H ARG A 119 -0.835 -6.751 -7.625 1.00 0.37 H new ATOM 0 HA ARG A 119 -3.448 -6.276 -8.720 1.00 0.27 H new ATOM 0 HB2 ARG A 119 -2.653 -7.613 -6.086 1.00 0.41 H new ATOM 0 HB3 ARG A 119 -4.159 -7.847 -6.951 1.00 0.41 H new ATOM 0 HG2 ARG A 119 -1.400 -8.494 -8.110 1.00 0.33 H new ATOM 0 HG3 ARG A 119 -2.452 -9.681 -7.365 1.00 0.33 H new ATOM 0 HD2 ARG A 119 -4.267 -8.809 -9.082 1.00 1.00 H new ATOM 0 HD3 ARG A 119 -2.901 -8.125 -9.941 1.00 1.00 H new ATOM 0 HE ARG A 119 -2.109 -10.794 -9.424 1.00 1.17 H new ATOM 0 HH11 ARG A 119 -4.799 -9.146 -11.004 1.00 2.04 H new ATOM 0 HH12 ARG A 119 -5.091 -10.479 -12.125 1.00 2.04 H new ATOM 0 HH21 ARG A 119 -2.517 -12.466 -10.856 1.00 1.89 H new ATOM 0 HH22 ARG A 119 -3.819 -12.328 -12.042 1.00 1.89 H new ATOM 1919 N LEU A 120 -2.611 -4.407 -6.227 1.00 0.28 N ATOM 1920 CA LEU A 120 -3.113 -3.319 -5.338 1.00 0.26 C ATOM 1921 C LEU A 120 -3.659 -2.169 -6.192 1.00 0.22 C ATOM 1922 O LEU A 120 -4.719 -1.638 -5.927 1.00 0.18 O ATOM 1923 CB LEU A 120 -1.965 -2.808 -4.463 1.00 0.36 C ATOM 1924 CG LEU A 120 -2.435 -2.689 -3.011 1.00 0.18 C ATOM 1925 CD1 LEU A 120 -1.378 -1.942 -2.198 1.00 0.62 C ATOM 1926 CD2 LEU A 120 -3.758 -1.919 -2.959 1.00 0.82 C ATOM 0 H LEU A 120 -1.596 -4.489 -6.285 1.00 0.28 H new ATOM 0 HA LEU A 120 -3.910 -3.706 -4.703 1.00 0.26 H new ATOM 0 HB2 LEU A 120 -1.116 -3.489 -4.526 1.00 0.36 H new ATOM 0 HB3 LEU A 120 -1.623 -1.838 -4.825 1.00 0.36 H new ATOM 0 HG LEU A 120 -2.582 -3.685 -2.594 1.00 0.18 H new ATOM 0 HD11 LEU A 120 -1.709 -1.855 -1.163 1.00 0.62 H new ATOM 0 HD12 LEU A 120 -0.437 -2.491 -2.233 1.00 0.62 H new ATOM 0 HD13 LEU A 120 -1.233 -0.946 -2.617 1.00 0.62 H new ATOM 0 HD21 LEU A 120 -4.090 -1.836 -1.924 1.00 0.82 H new ATOM 0 HD22 LEU A 120 -3.615 -0.922 -3.376 1.00 0.82 H new ATOM 0 HD23 LEU A 120 -4.511 -2.451 -3.540 1.00 0.82 H new ATOM 1938 N LYS A 121 -2.946 -1.781 -7.216 1.00 0.26 N ATOM 1939 CA LYS A 121 -3.427 -0.668 -8.088 1.00 0.28 C ATOM 1940 C LYS A 121 -4.621 -1.149 -8.908 1.00 0.32 C ATOM 1941 O LYS A 121 -5.650 -0.513 -8.961 1.00 0.28 O ATOM 1942 CB LYS A 121 -2.303 -0.243 -9.034 1.00 0.38 C ATOM 1943 CG LYS A 121 -2.419 1.252 -9.334 1.00 0.65 C ATOM 1944 CD LYS A 121 -1.922 1.524 -10.754 1.00 0.70 C ATOM 1945 CE LYS A 121 -3.065 1.308 -11.745 1.00 0.73 C ATOM 1946 NZ LYS A 121 -2.504 1.069 -13.103 1.00 0.25 N ATOM 0 H LYS A 121 -2.050 -2.187 -7.487 1.00 0.26 H new ATOM 0 HA LYS A 121 -3.724 0.179 -7.469 1.00 0.28 H new ATOM 0 HB2 LYS A 121 -1.334 -0.459 -8.583 1.00 0.38 H new ATOM 0 HB3 LYS A 121 -2.358 -0.815 -9.960 1.00 0.38 H new ATOM 0 HG2 LYS A 121 -3.455 1.576 -9.231 1.00 0.65 H new ATOM 0 HG3 LYS A 121 -1.833 1.825 -8.616 1.00 0.65 H new ATOM 0 HD2 LYS A 121 -1.549 2.545 -10.830 1.00 0.70 H new ATOM 0 HD3 LYS A 121 -1.090 0.862 -10.992 1.00 0.70 H new ATOM 0 HE2 LYS A 121 -3.673 0.458 -11.436 1.00 0.73 H new ATOM 0 HE3 LYS A 121 -3.719 2.180 -11.758 1.00 0.73 H new ATOM 0 HZ1 LYS A 121 -3.281 0.922 -13.779 1.00 0.25 H new ATOM 0 HZ2 LYS A 121 -1.942 1.893 -13.396 1.00 0.25 H new ATOM 0 HZ3 LYS A 121 -1.897 0.225 -13.084 1.00 0.25 H new ATOM 1960 N THR A 122 -4.476 -2.269 -9.549 1.00 0.46 N ATOM 1961 CA THR A 122 -5.591 -2.825 -10.381 1.00 0.59 C ATOM 1962 C THR A 122 -6.882 -2.884 -9.554 1.00 0.61 C ATOM 1963 O THR A 122 -7.925 -2.410 -9.964 1.00 0.70 O ATOM 1964 CB THR A 122 -5.230 -4.247 -10.844 1.00 0.59 C ATOM 1965 OG1 THR A 122 -4.087 -4.708 -10.146 1.00 0.36 O ATOM 1966 CG2 THR A 122 -4.942 -4.243 -12.347 1.00 0.82 C ATOM 0 H THR A 122 -3.627 -2.834 -9.537 1.00 0.46 H new ATOM 0 HA THR A 122 -5.741 -2.180 -11.246 1.00 0.59 H new ATOM 0 HB THR A 122 -6.069 -4.911 -10.636 1.00 0.59 H new ATOM 0 HG1 THR A 122 -3.284 -4.293 -10.524 1.00 0.36 H new ATOM 0 HG21 THR A 122 -4.687 -5.252 -12.671 1.00 0.82 H new ATOM 0 HG22 THR A 122 -5.826 -3.901 -12.886 1.00 0.82 H new ATOM 0 HG23 THR A 122 -4.108 -3.573 -12.556 1.00 0.82 H new ATOM 1974 N ILE A 123 -6.813 -3.482 -8.401 1.00 0.57 N ATOM 1975 CA ILE A 123 -8.022 -3.610 -7.530 1.00 0.64 C ATOM 1976 C ILE A 123 -8.476 -2.241 -7.023 1.00 0.52 C ATOM 1977 O ILE A 123 -9.634 -2.034 -6.739 1.00 0.45 O ATOM 1978 CB ILE A 123 -7.671 -4.481 -6.326 1.00 0.75 C ATOM 1979 CG1 ILE A 123 -7.261 -5.874 -6.805 1.00 0.95 C ATOM 1980 CG2 ILE A 123 -8.884 -4.594 -5.401 1.00 0.97 C ATOM 1981 CD1 ILE A 123 -8.501 -6.642 -7.267 1.00 1.16 C ATOM 0 H ILE A 123 -5.963 -3.894 -8.016 1.00 0.57 H new ATOM 0 HA ILE A 123 -8.827 -4.056 -8.114 1.00 0.64 H new ATOM 0 HB ILE A 123 -6.844 -4.027 -5.781 1.00 0.75 H new ATOM 0 HG12 ILE A 123 -6.545 -5.793 -7.623 1.00 0.95 H new ATOM 0 HG13 ILE A 123 -6.764 -6.415 -6.000 1.00 0.95 H new ATOM 0 HG21 ILE A 123 -8.630 -5.216 -4.543 1.00 0.97 H new ATOM 0 HG22 ILE A 123 -9.173 -3.601 -5.057 1.00 0.97 H new ATOM 0 HG23 ILE A 123 -9.715 -5.046 -5.944 1.00 0.97 H new ATOM 0 HD11 ILE A 123 -8.208 -7.635 -7.608 1.00 1.16 H new ATOM 0 HD12 ILE A 123 -9.201 -6.736 -6.437 1.00 1.16 H new ATOM 0 HD13 ILE A 123 -8.979 -6.103 -8.085 1.00 1.16 H new ATOM 1993 N MET A 124 -7.575 -1.318 -6.877 1.00 0.53 N ATOM 1994 CA MET A 124 -7.966 0.024 -6.356 1.00 0.51 C ATOM 1995 C MET A 124 -8.703 0.834 -7.425 1.00 0.54 C ATOM 1996 O MET A 124 -9.496 1.694 -7.113 1.00 0.85 O ATOM 1997 CB MET A 124 -6.709 0.779 -5.921 1.00 0.60 C ATOM 1998 CG MET A 124 -6.228 0.231 -4.576 1.00 0.75 C ATOM 1999 SD MET A 124 -6.791 1.319 -3.246 1.00 0.18 S ATOM 2000 CE MET A 124 -5.717 2.721 -3.635 1.00 0.81 C ATOM 0 H MET A 124 -6.585 -1.430 -7.094 1.00 0.53 H new ATOM 0 HA MET A 124 -8.636 -0.113 -5.507 1.00 0.51 H new ATOM 0 HB2 MET A 124 -5.927 0.669 -6.672 1.00 0.60 H new ATOM 0 HB3 MET A 124 -6.922 1.845 -5.837 1.00 0.60 H new ATOM 0 HG2 MET A 124 -6.613 -0.777 -4.423 1.00 0.75 H new ATOM 0 HG3 MET A 124 -5.140 0.161 -4.568 1.00 0.75 H new ATOM 0 HE1 MET A 124 -6.159 3.638 -3.245 1.00 0.81 H new ATOM 0 HE2 MET A 124 -4.739 2.567 -3.179 1.00 0.81 H new ATOM 0 HE3 MET A 124 -5.605 2.804 -4.716 1.00 0.81 H new ATOM 2010 N ARG A 125 -8.449 0.587 -8.679 1.00 0.43 N ATOM 2011 CA ARG A 125 -9.136 1.380 -9.741 1.00 0.43 C ATOM 2012 C ARG A 125 -10.470 0.737 -10.127 1.00 0.43 C ATOM 2013 O ARG A 125 -11.377 1.404 -10.579 1.00 0.61 O ATOM 2014 CB ARG A 125 -8.238 1.458 -10.976 1.00 0.44 C ATOM 2015 CG ARG A 125 -8.801 2.500 -11.947 1.00 0.48 C ATOM 2016 CD ARG A 125 -8.304 3.889 -11.547 1.00 1.59 C ATOM 2017 NE ARG A 125 -7.151 4.270 -12.413 1.00 2.04 N ATOM 2018 CZ ARG A 125 -6.723 5.510 -12.462 1.00 3.10 C ATOM 2019 NH1 ARG A 125 -7.301 6.459 -11.765 1.00 4.02 N ATOM 2020 NH2 ARG A 125 -5.703 5.804 -13.221 1.00 3.58 N ATOM 0 H ARG A 125 -7.800 -0.124 -9.015 1.00 0.43 H new ATOM 0 HA ARG A 125 -9.331 2.380 -9.354 1.00 0.43 H new ATOM 0 HB2 ARG A 125 -7.223 1.727 -10.685 1.00 0.44 H new ATOM 0 HB3 ARG A 125 -8.183 0.484 -11.462 1.00 0.44 H new ATOM 0 HG2 ARG A 125 -8.489 2.270 -12.966 1.00 0.48 H new ATOM 0 HG3 ARG A 125 -9.891 2.474 -11.934 1.00 0.48 H new ATOM 0 HD2 ARG A 125 -9.107 4.619 -11.650 1.00 1.59 H new ATOM 0 HD3 ARG A 125 -8.003 3.892 -10.499 1.00 1.59 H new ATOM 0 HE ARG A 125 -6.688 3.556 -12.976 1.00 2.04 H new ATOM 0 HH11 ARG A 125 -8.100 6.240 -11.170 1.00 4.02 H new ATOM 0 HH12 ARG A 125 -6.952 7.416 -11.818 1.00 4.02 H new ATOM 0 HH21 ARG A 125 -5.247 5.074 -13.768 1.00 3.58 H new ATOM 0 HH22 ARG A 125 -5.362 6.764 -13.267 1.00 3.58 H new ATOM 2034 N GLU A 126 -10.602 -0.549 -9.976 1.00 0.30 N ATOM 2035 CA GLU A 126 -11.886 -1.199 -10.366 1.00 0.46 C ATOM 2036 C GLU A 126 -12.856 -1.229 -9.180 1.00 0.38 C ATOM 2037 O GLU A 126 -14.059 -1.202 -9.355 1.00 0.36 O ATOM 2038 CB GLU A 126 -11.609 -2.629 -10.838 1.00 0.67 C ATOM 2039 CG GLU A 126 -11.882 -2.729 -12.340 1.00 1.27 C ATOM 2040 CD GLU A 126 -11.405 -4.087 -12.859 1.00 1.26 C ATOM 2041 OE1 GLU A 126 -11.859 -5.092 -12.339 1.00 0.62 O ATOM 2042 OE2 GLU A 126 -10.593 -4.097 -13.770 1.00 2.21 O ATOM 0 H GLU A 126 -9.887 -1.174 -9.604 1.00 0.30 H new ATOM 0 HA GLU A 126 -12.340 -0.624 -11.173 1.00 0.46 H new ATOM 0 HB2 GLU A 126 -10.575 -2.900 -10.626 1.00 0.67 H new ATOM 0 HB3 GLU A 126 -12.240 -3.332 -10.295 1.00 0.67 H new ATOM 0 HG2 GLU A 126 -12.948 -2.608 -12.535 1.00 1.27 H new ATOM 0 HG3 GLU A 126 -11.368 -1.926 -12.868 1.00 1.27 H new ATOM 2049 N LYS A 127 -12.354 -1.306 -7.980 1.00 0.44 N ATOM 2050 CA LYS A 127 -13.263 -1.362 -6.798 1.00 0.50 C ATOM 2051 C LYS A 127 -13.560 0.040 -6.249 1.00 0.59 C ATOM 2052 O LYS A 127 -14.654 0.304 -5.793 1.00 0.63 O ATOM 2053 CB LYS A 127 -12.627 -2.218 -5.700 1.00 0.54 C ATOM 2054 CG LYS A 127 -13.558 -3.387 -5.368 1.00 0.32 C ATOM 2055 CD LYS A 127 -13.564 -4.382 -6.531 1.00 1.33 C ATOM 2056 CE LYS A 127 -14.472 -5.565 -6.188 1.00 1.34 C ATOM 2057 NZ LYS A 127 -13.639 -6.773 -5.932 1.00 1.54 N ATOM 0 H LYS A 127 -11.357 -1.333 -7.765 1.00 0.44 H new ATOM 0 HA LYS A 127 -14.205 -1.806 -7.119 1.00 0.50 H new ATOM 0 HB2 LYS A 127 -11.658 -2.592 -6.030 1.00 0.54 H new ATOM 0 HB3 LYS A 127 -12.450 -1.615 -4.810 1.00 0.54 H new ATOM 0 HG2 LYS A 127 -13.227 -3.881 -4.455 1.00 0.32 H new ATOM 0 HG3 LYS A 127 -14.568 -3.020 -5.184 1.00 0.32 H new ATOM 0 HD2 LYS A 127 -13.914 -3.893 -7.440 1.00 1.33 H new ATOM 0 HD3 LYS A 127 -12.551 -4.733 -6.728 1.00 1.33 H new ATOM 0 HE2 LYS A 127 -15.074 -5.332 -5.309 1.00 1.34 H new ATOM 0 HE3 LYS A 127 -15.165 -5.755 -7.008 1.00 1.34 H new ATOM 0 HZ1 LYS A 127 -14.256 -7.577 -5.699 1.00 1.54 H new ATOM 0 HZ2 LYS A 127 -13.083 -6.998 -6.782 1.00 1.54 H new ATOM 0 HZ3 LYS A 127 -12.995 -6.589 -5.136 1.00 1.54 H new ATOM 2071 N TYR A 128 -12.612 0.946 -6.267 1.00 0.65 N ATOM 2072 CA TYR A 128 -12.902 2.304 -5.715 1.00 0.74 C ATOM 2073 C TYR A 128 -13.937 3.032 -6.587 1.00 0.57 C ATOM 2074 O TYR A 128 -14.489 4.037 -6.187 1.00 0.58 O ATOM 2075 CB TYR A 128 -11.614 3.129 -5.639 1.00 0.86 C ATOM 2076 CG TYR A 128 -11.441 3.947 -6.899 1.00 2.41 C ATOM 2077 CD1 TYR A 128 -11.408 3.319 -8.151 1.00 3.47 C ATOM 2078 CD2 TYR A 128 -11.310 5.338 -6.811 1.00 3.52 C ATOM 2079 CE1 TYR A 128 -11.243 4.084 -9.312 1.00 5.17 C ATOM 2080 CE2 TYR A 128 -11.145 6.101 -7.972 1.00 5.21 C ATOM 2081 CZ TYR A 128 -11.112 5.475 -9.222 1.00 5.94 C ATOM 2082 OH TYR A 128 -10.947 6.228 -10.367 1.00 7.71 O ATOM 0 H TYR A 128 -11.670 0.808 -6.632 1.00 0.65 H new ATOM 0 HA TYR A 128 -13.311 2.187 -4.711 1.00 0.74 H new ATOM 0 HB2 TYR A 128 -11.646 3.788 -4.771 1.00 0.86 H new ATOM 0 HB3 TYR A 128 -10.758 2.468 -5.506 1.00 0.86 H new ATOM 0 HD1 TYR A 128 -11.510 2.246 -8.220 1.00 3.47 H new ATOM 0 HD2 TYR A 128 -11.336 5.822 -5.846 1.00 3.52 H new ATOM 0 HE1 TYR A 128 -11.217 3.601 -10.278 1.00 5.17 H new ATOM 0 HE2 TYR A 128 -11.043 7.174 -7.903 1.00 5.21 H new ATOM 0 HH TYR A 128 -10.873 7.175 -10.128 1.00 7.71 H new