USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 822 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 37 CYS SG : rot 161:sc= 0.958 USER MOD Set 1.2: A 40 CYS SG : rot 90:sc= 0.159 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -171:sc= 1.5 (180deg=0.51) USER MOD Set 2.2: A 59 THR OG1 : rot -79:sc= 0.731 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.945 USER MOD Set 3.2: A 16 SER OG : rot -84:sc= 1.49 USER MOD Single : A 9 THR OG1 : rot -20:sc= 0.139 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -159:sc= 1.03 USER MOD Single : A 24 SER OG : rot -108:sc= 1.22 USER MOD Single : A 25 ASN : amide:sc= 0.00385 K(o=0.0039,f=-1.8) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -106:sc= 0.974 (180deg=0.0332) USER MOD Single : A 42 MET CE :methyl 177:sc= 0 (180deg=-0.00805) USER MOD Single : A 52 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.27) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.589 K(o=0.59,f=-0.12) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.362 X(o=0.36,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 146:sc= 0.652 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.2) USER MOD Single : A 99 LYS NZ :NH3+ -118:sc= 0.98 (180deg=0.792) USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.23) USER MOD Single : A 109 SER OG : rot -24:sc= 0.1 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 3.586 -0.724 10.145 1.00 0.00 N ATOM 115 CA THR A 9 2.477 -1.067 9.234 1.00 0.00 C ATOM 116 C THR A 9 1.108 -1.116 9.928 1.00 0.00 C ATOM 117 O THR A 9 1.002 -1.428 11.118 1.00 0.00 O ATOM 118 CB THR A 9 2.714 -2.395 8.488 1.00 0.00 C ATOM 119 OG1 THR A 9 3.131 -3.416 9.371 1.00 0.00 O ATOM 120 CG2 THR A 9 3.780 -2.262 7.403 1.00 0.00 C ATOM 0 HA THR A 9 2.460 -0.251 8.511 1.00 0.00 H new ATOM 0 HB THR A 9 1.757 -2.652 8.034 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.482 -3.014 10.193 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.913 -3.222 6.904 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.466 -1.515 6.674 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.723 -1.954 7.855 1.00 0.00 H new ATOM 128 N ILE A 10 0.046 -0.835 9.163 1.00 0.00 N ATOM 129 CA ILE A 10 -1.370 -0.889 9.582 1.00 0.00 C ATOM 130 C ILE A 10 -2.230 -1.689 8.587 1.00 0.00 C ATOM 131 O ILE A 10 -1.858 -1.845 7.423 1.00 0.00 O ATOM 132 CB ILE A 10 -1.951 0.530 9.816 1.00 0.00 C ATOM 133 CG1 ILE A 10 -1.979 1.384 8.526 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.192 1.242 10.950 1.00 0.00 C ATOM 135 CD1 ILE A 10 -2.721 2.718 8.665 1.00 0.00 C ATOM 0 H ILE A 10 0.150 -0.550 8.189 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.401 -1.417 10.535 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.991 0.408 10.119 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.954 1.583 8.215 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.446 0.803 7.731 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.612 2.236 11.101 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.286 0.665 11.870 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.139 1.330 10.684 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.692 3.251 7.715 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.758 2.530 8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.242 3.322 9.435 1.00 0.00 H new ATOM 147 N LYS A 11 -3.402 -2.169 9.017 1.00 0.00 N ATOM 148 CA LYS A 11 -4.428 -2.765 8.137 1.00 0.00 C ATOM 149 C LYS A 11 -5.613 -1.811 7.941 1.00 0.00 C ATOM 150 O LYS A 11 -6.008 -1.112 8.876 1.00 0.00 O ATOM 151 CB LYS A 11 -4.892 -4.128 8.682 1.00 0.00 C ATOM 152 CG LYS A 11 -3.770 -5.179 8.663 1.00 0.00 C ATOM 153 CD LYS A 11 -4.294 -6.544 9.138 1.00 0.00 C ATOM 154 CE LYS A 11 -3.221 -7.643 9.081 1.00 0.00 C ATOM 155 NZ LYS A 11 -2.161 -7.460 10.109 1.00 0.00 N ATOM 0 H LYS A 11 -3.674 -2.157 10.000 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.977 -2.932 7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.253 -4.004 9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.732 -4.487 8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.367 -5.270 7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.951 -4.855 9.305 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.660 -6.452 10.160 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.143 -6.838 8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.694 -8.615 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.765 -7.650 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.463 -8.227 10.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.689 -6.545 9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.589 -7.480 11.057 1.00 0.00 H new ATOM 169 N VAL A 12 -6.185 -1.807 6.738 1.00 0.00 N ATOM 170 CA VAL A 12 -7.381 -1.031 6.353 1.00 0.00 C ATOM 171 C VAL A 12 -8.407 -1.914 5.631 1.00 0.00 C ATOM 172 O VAL A 12 -8.069 -2.954 5.064 1.00 0.00 O ATOM 173 CB VAL A 12 -7.027 0.223 5.523 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.229 1.229 6.360 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.235 -0.081 4.245 1.00 0.00 C ATOM 0 H VAL A 12 -5.819 -2.365 5.967 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.838 -0.674 7.276 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.988 0.643 5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.993 2.102 5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.822 1.536 7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.304 0.765 6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.025 0.849 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.297 -0.570 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.820 -0.738 3.602 1.00 0.00 H new ATOM 185 N THR A 13 -9.676 -1.513 5.690 1.00 0.00 N ATOM 186 CA THR A 13 -10.853 -2.265 5.216 1.00 0.00 C ATOM 187 C THR A 13 -11.831 -1.368 4.479 1.00 0.00 C ATOM 188 O THR A 13 -11.763 -0.142 4.549 1.00 0.00 O ATOM 189 CB THR A 13 -11.588 -2.947 6.388 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.129 -1.975 7.261 1.00 0.00 O ATOM 191 CG2 THR A 13 -10.695 -3.876 7.210 1.00 0.00 C ATOM 0 H THR A 13 -9.932 -0.610 6.089 1.00 0.00 H new ATOM 0 HA THR A 13 -10.481 -3.025 4.529 1.00 0.00 H new ATOM 0 HB THR A 13 -12.372 -3.550 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.594 -2.421 7.999 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.278 -4.321 8.017 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.302 -4.665 6.568 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.867 -3.306 7.632 1.00 0.00 H new ATOM 199 N ASP A 14 -12.802 -1.982 3.808 1.00 0.00 N ATOM 200 CA ASP A 14 -13.853 -1.260 3.096 1.00 0.00 C ATOM 201 C ASP A 14 -14.731 -0.371 4.012 1.00 0.00 C ATOM 202 O ASP A 14 -15.337 0.595 3.544 1.00 0.00 O ATOM 203 CB ASP A 14 -14.660 -2.269 2.272 1.00 0.00 C ATOM 204 CG ASP A 14 -15.585 -3.166 3.104 1.00 0.00 C ATOM 205 OD1 ASP A 14 -16.721 -2.748 3.429 1.00 0.00 O ATOM 206 OD2 ASP A 14 -15.168 -4.308 3.408 1.00 0.00 O ATOM 0 H ASP A 14 -12.882 -2.997 3.742 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.388 -0.540 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.260 -1.727 1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.969 -2.899 1.712 1.00 0.00 H new ATOM 211 N ALA A 15 -14.750 -0.655 5.321 1.00 0.00 N ATOM 212 CA ALA A 15 -15.390 0.160 6.356 1.00 0.00 C ATOM 213 C ALA A 15 -14.515 1.316 6.907 1.00 0.00 C ATOM 214 O ALA A 15 -15.041 2.185 7.607 1.00 0.00 O ATOM 215 CB ALA A 15 -15.839 -0.788 7.478 1.00 0.00 C ATOM 0 H ALA A 15 -14.303 -1.490 5.700 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.238 0.673 5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.321 -0.213 8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.543 -1.517 7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.971 -1.307 7.885 1.00 0.00 H new ATOM 221 N SER A 16 -13.201 1.333 6.634 1.00 0.00 N ATOM 222 CA SER A 16 -12.220 2.223 7.297 1.00 0.00 C ATOM 223 C SER A 16 -11.249 2.967 6.367 1.00 0.00 C ATOM 224 O SER A 16 -10.602 3.918 6.808 1.00 0.00 O ATOM 225 CB SER A 16 -11.418 1.423 8.331 1.00 0.00 C ATOM 226 OG SER A 16 -10.689 0.372 7.717 1.00 0.00 O ATOM 0 H SER A 16 -12.778 0.721 5.936 1.00 0.00 H new ATOM 0 HA SER A 16 -12.823 3.004 7.760 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.731 2.088 8.855 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.095 1.010 9.079 1.00 0.00 H new ATOM 0 HG SER A 16 -11.269 -0.411 7.614 1.00 0.00 H new ATOM 232 N PHE A 17 -11.154 2.604 5.083 1.00 0.00 N ATOM 233 CA PHE A 17 -10.171 3.146 4.134 1.00 0.00 C ATOM 234 C PHE A 17 -10.234 4.676 4.027 1.00 0.00 C ATOM 235 O PHE A 17 -9.202 5.345 4.020 1.00 0.00 O ATOM 236 CB PHE A 17 -10.392 2.488 2.763 1.00 0.00 C ATOM 237 CG PHE A 17 -9.246 2.645 1.781 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.070 3.843 1.060 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.375 1.564 1.553 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.027 3.956 0.123 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.367 1.660 0.579 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.187 2.860 -0.130 1.00 0.00 C ATOM 0 H PHE A 17 -11.772 1.909 4.664 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.173 2.912 4.504 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.578 1.425 2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.293 2.909 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.737 4.676 1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.482 0.657 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.872 4.887 -0.402 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.730 0.812 0.375 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.403 2.939 -0.869 1.00 0.00 H new ATOM 252 N ALA A 18 -11.437 5.257 3.999 1.00 0.00 N ATOM 253 CA ALA A 18 -11.595 6.707 3.935 1.00 0.00 C ATOM 254 C ALA A 18 -11.103 7.423 5.213 1.00 0.00 C ATOM 255 O ALA A 18 -10.512 8.499 5.136 1.00 0.00 O ATOM 256 CB ALA A 18 -13.059 7.028 3.618 1.00 0.00 C ATOM 0 H ALA A 18 -12.316 4.741 4.020 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.959 7.092 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.192 8.109 3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.330 6.584 2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.699 6.620 4.401 1.00 0.00 H new ATOM 262 N THR A 19 -11.314 6.815 6.384 1.00 0.00 N ATOM 263 CA THR A 19 -10.941 7.347 7.709 1.00 0.00 C ATOM 264 C THR A 19 -9.457 7.160 8.056 1.00 0.00 C ATOM 265 O THR A 19 -8.935 7.888 8.901 1.00 0.00 O ATOM 266 CB THR A 19 -11.812 6.694 8.803 1.00 0.00 C ATOM 267 OG1 THR A 19 -13.157 6.577 8.372 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.850 7.491 10.109 1.00 0.00 C ATOM 0 H THR A 19 -11.767 5.903 6.443 1.00 0.00 H new ATOM 0 HA THR A 19 -11.118 8.422 7.665 1.00 0.00 H new ATOM 0 HB THR A 19 -11.350 5.723 8.983 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.692 6.159 9.079 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.480 6.974 10.833 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.840 7.584 10.508 1.00 0.00 H new ATOM 0 HG23 THR A 19 -12.257 8.484 9.918 1.00 0.00 H new ATOM 276 N ASP A 20 -8.756 6.218 7.414 1.00 0.00 N ATOM 277 CA ASP A 20 -7.336 5.915 7.678 1.00 0.00 C ATOM 278 C ASP A 20 -6.375 6.298 6.534 1.00 0.00 C ATOM 279 O ASP A 20 -5.229 6.664 6.802 1.00 0.00 O ATOM 280 CB ASP A 20 -7.192 4.434 8.058 1.00 0.00 C ATOM 281 CG ASP A 20 -7.568 4.199 9.532 1.00 0.00 C ATOM 282 OD1 ASP A 20 -6.707 4.435 10.414 1.00 0.00 O ATOM 283 OD2 ASP A 20 -8.712 3.779 9.822 1.00 0.00 O ATOM 0 H ASP A 20 -9.162 5.633 6.684 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.032 6.548 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.830 3.827 7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.166 4.110 7.885 1.00 0.00 H new ATOM 288 N VAL A 21 -6.815 6.225 5.271 1.00 0.00 N ATOM 289 CA VAL A 21 -6.014 6.575 4.082 1.00 0.00 C ATOM 290 C VAL A 21 -6.394 7.956 3.545 1.00 0.00 C ATOM 291 O VAL A 21 -5.558 8.858 3.500 1.00 0.00 O ATOM 292 CB VAL A 21 -6.138 5.513 2.967 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.130 5.763 1.844 1.00 0.00 C ATOM 294 CG2 VAL A 21 -5.913 4.088 3.486 1.00 0.00 C ATOM 0 H VAL A 21 -7.758 5.914 5.038 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.972 6.601 4.401 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.157 5.603 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.244 4.998 1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.308 6.746 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.118 5.724 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.011 3.381 2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.913 4.010 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.654 3.858 4.252 1.00 0.00 H new ATOM 304 N LEU A 22 -7.663 8.155 3.169 1.00 0.00 N ATOM 305 CA LEU A 22 -8.104 9.394 2.501 1.00 0.00 C ATOM 306 C LEU A 22 -8.185 10.602 3.456 1.00 0.00 C ATOM 307 O LEU A 22 -8.231 11.749 3.012 1.00 0.00 O ATOM 308 CB LEU A 22 -9.424 9.165 1.740 1.00 0.00 C ATOM 309 CG LEU A 22 -9.436 7.955 0.783 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.788 7.869 0.074 1.00 0.00 C ATOM 311 CD2 LEU A 22 -8.340 8.023 -0.281 1.00 0.00 C ATOM 0 H LEU A 22 -8.408 7.474 3.315 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.335 9.652 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.226 9.039 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.653 10.063 1.166 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.254 7.074 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.791 7.013 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.580 7.751 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.958 8.782 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.401 7.144 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.473 8.922 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.364 8.052 0.203 1.00 0.00 H new ATOM 323 N SER A 23 -8.142 10.347 4.765 1.00 0.00 N ATOM 324 CA SER A 23 -8.020 11.339 5.839 1.00 0.00 C ATOM 325 C SER A 23 -6.621 11.977 5.941 1.00 0.00 C ATOM 326 O SER A 23 -6.467 13.030 6.566 1.00 0.00 O ATOM 327 CB SER A 23 -8.333 10.648 7.167 1.00 0.00 C ATOM 328 OG SER A 23 -7.405 9.601 7.392 1.00 0.00 O ATOM 0 H SER A 23 -8.194 9.394 5.125 1.00 0.00 H new ATOM 0 HA SER A 23 -8.719 12.144 5.611 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.287 11.369 7.983 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.348 10.250 7.151 1.00 0.00 H new ATOM 0 HG SER A 23 -7.780 8.965 8.036 1.00 0.00 H new ATOM 334 N SER A 24 -5.589 11.340 5.370 1.00 0.00 N ATOM 335 CA SER A 24 -4.183 11.629 5.658 1.00 0.00 C ATOM 336 C SER A 24 -3.672 12.894 4.963 1.00 0.00 C ATOM 337 O SER A 24 -3.708 13.002 3.735 1.00 0.00 O ATOM 338 CB SER A 24 -3.327 10.421 5.269 1.00 0.00 C ATOM 339 OG SER A 24 -2.008 10.596 5.741 1.00 0.00 O ATOM 0 H SER A 24 -5.714 10.596 4.683 1.00 0.00 H new ATOM 0 HA SER A 24 -4.103 11.819 6.728 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.755 9.511 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.322 10.301 4.186 1.00 0.00 H new ATOM 0 HG SER A 24 -1.412 10.782 4.985 1.00 0.00 H new ATOM 345 N ASN A 25 -3.133 13.830 5.752 1.00 0.00 N ATOM 346 CA ASN A 25 -2.418 15.022 5.272 1.00 0.00 C ATOM 347 C ASN A 25 -0.917 14.766 4.998 1.00 0.00 C ATOM 348 O ASN A 25 -0.274 15.564 4.310 1.00 0.00 O ATOM 349 CB ASN A 25 -2.655 16.189 6.253 1.00 0.00 C ATOM 350 CG ASN A 25 -2.053 16.011 7.643 1.00 0.00 C ATOM 351 OD1 ASN A 25 -1.610 14.944 8.046 1.00 0.00 O ATOM 352 ND2 ASN A 25 -2.037 17.057 8.438 1.00 0.00 N ATOM 0 H ASN A 25 -3.182 13.780 6.770 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.827 15.294 4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.247 17.099 5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.729 16.340 6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.658 16.975 9.381 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.404 17.951 8.112 1.00 0.00 H new ATOM 359 N LYS A 26 -0.372 13.644 5.489 1.00 0.00 N ATOM 360 CA LYS A 26 0.956 13.102 5.137 1.00 0.00 C ATOM 361 C LYS A 26 0.829 12.069 4.003 1.00 0.00 C ATOM 362 O LYS A 26 -0.263 11.512 3.832 1.00 0.00 O ATOM 363 CB LYS A 26 1.651 12.522 6.391 1.00 0.00 C ATOM 364 CG LYS A 26 0.920 11.313 7.003 1.00 0.00 C ATOM 365 CD LYS A 26 1.612 10.694 8.225 1.00 0.00 C ATOM 366 CE LYS A 26 2.970 10.058 7.890 1.00 0.00 C ATOM 367 NZ LYS A 26 3.383 9.099 8.948 1.00 0.00 N ATOM 0 H LYS A 26 -0.861 13.063 6.170 1.00 0.00 H new ATOM 0 HA LYS A 26 1.588 13.909 4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.666 12.226 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.733 13.305 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.085 11.621 7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.812 10.545 6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.755 11.464 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.960 9.936 8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.908 9.543 6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.725 10.837 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.364 8.798 8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.316 9.559 9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.758 8.268 8.927 1.00 0.00 H new ATOM 381 N PRO A 27 1.896 11.763 3.241 1.00 0.00 N ATOM 382 CA PRO A 27 1.857 10.655 2.293 1.00 0.00 C ATOM 383 C PRO A 27 1.505 9.321 2.975 1.00 0.00 C ATOM 384 O PRO A 27 1.980 9.018 4.071 1.00 0.00 O ATOM 385 CB PRO A 27 3.211 10.635 1.572 1.00 0.00 C ATOM 386 CG PRO A 27 4.110 11.578 2.374 1.00 0.00 C ATOM 387 CD PRO A 27 3.156 12.485 3.150 1.00 0.00 C ATOM 0 HA PRO A 27 1.060 10.796 1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.626 9.627 1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.112 10.970 0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.760 11.022 3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.756 12.159 1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.550 12.707 4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.023 13.438 2.639 1.00 0.00 H new ATOM 395 N VAL A 28 0.659 8.518 2.329 1.00 0.00 N ATOM 396 CA VAL A 28 0.219 7.205 2.825 1.00 0.00 C ATOM 397 C VAL A 28 0.214 6.186 1.689 1.00 0.00 C ATOM 398 O VAL A 28 -0.314 6.436 0.605 1.00 0.00 O ATOM 399 CB VAL A 28 -1.123 7.300 3.578 1.00 0.00 C ATOM 400 CG1 VAL A 28 -2.257 7.894 2.739 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.573 5.939 4.126 1.00 0.00 C ATOM 0 H VAL A 28 0.250 8.763 1.428 1.00 0.00 H new ATOM 0 HA VAL A 28 0.935 6.848 3.565 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.924 7.982 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.170 7.930 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.988 8.903 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.422 7.273 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.523 6.053 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.695 5.237 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.821 5.559 4.818 1.00 0.00 H new ATOM 411 N LEU A 29 0.853 5.046 1.935 1.00 0.00 N ATOM 412 CA LEU A 29 1.167 4.003 0.967 1.00 0.00 C ATOM 413 C LEU A 29 0.330 2.764 1.298 1.00 0.00 C ATOM 414 O LEU A 29 0.522 2.172 2.356 1.00 0.00 O ATOM 415 CB LEU A 29 2.682 3.732 1.082 1.00 0.00 C ATOM 416 CG LEU A 29 3.348 3.013 -0.103 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.734 2.551 0.341 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.609 1.773 -0.614 1.00 0.00 C ATOM 0 H LEU A 29 1.184 4.813 2.871 1.00 0.00 H new ATOM 0 HA LEU A 29 0.931 4.291 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.188 4.686 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.854 3.139 1.980 1.00 0.00 H new ATOM 0 HG LEU A 29 3.357 3.736 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.228 2.037 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.328 3.415 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.637 1.870 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.159 1.340 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.531 1.040 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.610 2.056 -0.946 1.00 0.00 H new ATOM 430 N VAL A 30 -0.579 2.353 0.417 1.00 0.00 N ATOM 431 CA VAL A 30 -1.402 1.150 0.604 1.00 0.00 C ATOM 432 C VAL A 30 -0.989 0.058 -0.376 1.00 0.00 C ATOM 433 O VAL A 30 -0.985 0.269 -1.590 1.00 0.00 O ATOM 434 CB VAL A 30 -2.911 1.433 0.491 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.683 0.269 1.134 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.354 2.737 1.163 1.00 0.00 C ATOM 0 H VAL A 30 -0.770 2.846 -0.455 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.222 0.805 1.622 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.127 1.536 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.754 0.458 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.442 -0.659 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.402 0.181 2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.430 2.863 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.113 2.699 2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.835 3.578 0.703 1.00 0.00 H new ATOM 446 N ASP A 31 -0.676 -1.127 0.145 1.00 0.00 N ATOM 447 CA ASP A 31 -0.466 -2.343 -0.637 1.00 0.00 C ATOM 448 C ASP A 31 -1.721 -3.228 -0.619 1.00 0.00 C ATOM 449 O ASP A 31 -2.188 -3.672 0.435 1.00 0.00 O ATOM 450 CB ASP A 31 0.781 -3.074 -0.134 1.00 0.00 C ATOM 451 CG ASP A 31 0.981 -4.423 -0.842 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.974 -4.458 -2.092 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.153 -5.439 -0.130 1.00 0.00 O ATOM 0 H ASP A 31 -0.559 -1.271 1.148 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.292 -2.079 -1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.658 -2.447 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.697 -3.237 0.940 1.00 0.00 H new ATOM 458 N PHE A 32 -2.264 -3.478 -1.807 1.00 0.00 N ATOM 459 CA PHE A 32 -3.381 -4.380 -2.050 1.00 0.00 C ATOM 460 C PHE A 32 -2.829 -5.796 -2.245 1.00 0.00 C ATOM 461 O PHE A 32 -2.052 -6.049 -3.171 1.00 0.00 O ATOM 462 CB PHE A 32 -4.201 -3.883 -3.249 1.00 0.00 C ATOM 463 CG PHE A 32 -4.971 -2.603 -2.972 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.302 -1.366 -2.868 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.368 -2.648 -2.796 1.00 0.00 C ATOM 466 CE1 PHE A 32 -5.022 -0.197 -2.570 1.00 0.00 C ATOM 467 CE2 PHE A 32 -7.086 -1.472 -2.516 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.413 -0.245 -2.403 1.00 0.00 C ATOM 0 H PHE A 32 -1.922 -3.038 -2.661 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.062 -4.402 -1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.531 -3.719 -4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.903 -4.662 -3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.234 -1.317 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.890 -3.590 -2.877 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.501 0.744 -2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.158 -1.513 -2.388 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.965 0.658 -2.188 1.00 0.00 H new ATOM 478 N TRP A 33 -3.203 -6.701 -1.340 1.00 0.00 N ATOM 479 CA TRP A 33 -2.604 -8.030 -1.190 1.00 0.00 C ATOM 480 C TRP A 33 -3.646 -9.134 -0.975 1.00 0.00 C ATOM 481 O TRP A 33 -4.828 -8.852 -0.786 1.00 0.00 O ATOM 482 CB TRP A 33 -1.590 -7.999 -0.031 1.00 0.00 C ATOM 483 CG TRP A 33 -2.187 -8.051 1.343 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.855 -7.046 1.945 1.00 0.00 C ATOM 485 CD2 TRP A 33 -2.231 -9.175 2.279 1.00 0.00 C ATOM 486 NE1 TRP A 33 -3.354 -7.478 3.159 1.00 0.00 N ATOM 487 CE2 TRP A 33 -3.002 -8.783 3.415 1.00 0.00 C ATOM 488 CE3 TRP A 33 -1.705 -10.486 2.284 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -3.260 -9.651 4.487 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -1.953 -11.365 3.357 1.00 0.00 C ATOM 491 CH2 TRP A 33 -2.733 -10.954 4.454 1.00 0.00 C ATOM 0 H TRP A 33 -3.953 -6.526 -0.671 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.096 -8.274 -2.123 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.907 -8.841 -0.145 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.993 -7.091 -0.116 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.981 -6.053 1.539 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.914 -6.901 3.787 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.103 -10.820 1.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.855 -9.323 5.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.541 -12.363 3.337 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.926 -11.637 5.268 1.00 0.00 H new ATOM 502 N ALA A 34 -3.203 -10.393 -0.974 1.00 0.00 N ATOM 503 CA ALA A 34 -4.006 -11.537 -0.547 1.00 0.00 C ATOM 504 C ALA A 34 -3.150 -12.621 0.119 1.00 0.00 C ATOM 505 O ALA A 34 -1.962 -12.769 -0.186 1.00 0.00 O ATOM 506 CB ALA A 34 -4.734 -12.131 -1.754 1.00 0.00 C ATOM 0 H ALA A 34 -2.262 -10.648 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.726 -11.181 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.332 -12.984 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.385 -11.376 -2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.004 -12.457 -2.495 1.00 0.00 H new ATOM 512 N THR A 35 -3.779 -13.452 0.951 1.00 0.00 N ATOM 513 CA THR A 35 -3.171 -14.665 1.528 1.00 0.00 C ATOM 514 C THR A 35 -2.692 -15.651 0.455 1.00 0.00 C ATOM 515 O THR A 35 -1.680 -16.329 0.649 1.00 0.00 O ATOM 516 CB THR A 35 -4.169 -15.379 2.457 1.00 0.00 C ATOM 517 OG1 THR A 35 -5.394 -15.586 1.782 1.00 0.00 O ATOM 518 CG2 THR A 35 -4.458 -14.556 3.713 1.00 0.00 C ATOM 0 H THR A 35 -4.742 -13.304 1.252 1.00 0.00 H new ATOM 0 HA THR A 35 -2.300 -14.335 2.095 1.00 0.00 H new ATOM 0 HB THR A 35 -3.717 -16.328 2.745 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.023 -16.042 2.379 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.167 -15.092 4.344 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.531 -14.395 4.264 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.883 -13.594 3.428 1.00 0.00 H new ATOM 526 N TRP A 36 -3.356 -15.680 -0.705 1.00 0.00 N ATOM 527 CA TRP A 36 -3.008 -16.512 -1.862 1.00 0.00 C ATOM 528 C TRP A 36 -1.904 -15.937 -2.770 1.00 0.00 C ATOM 529 O TRP A 36 -1.442 -16.637 -3.676 1.00 0.00 O ATOM 530 CB TRP A 36 -4.292 -16.839 -2.645 1.00 0.00 C ATOM 531 CG TRP A 36 -5.206 -15.704 -3.032 1.00 0.00 C ATOM 532 CD1 TRP A 36 -6.390 -15.431 -2.435 1.00 0.00 C ATOM 533 CD2 TRP A 36 -5.084 -14.718 -4.112 1.00 0.00 C ATOM 534 NE1 TRP A 36 -7.034 -14.409 -3.095 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.270 -13.915 -4.129 1.00 0.00 C ATOM 536 CE3 TRP A 36 -4.098 -14.406 -5.078 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.473 -12.881 -5.053 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.278 -13.348 -5.992 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.468 -12.597 -5.993 1.00 0.00 C ATOM 0 H TRP A 36 -4.181 -15.103 -0.870 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.562 -17.427 -1.473 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.000 -17.357 -3.559 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.873 -17.544 -2.051 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.775 -15.942 -1.565 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.961 -14.061 -2.849 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.190 -14.990 -5.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.390 -12.310 -5.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.495 -13.112 -6.698 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.608 -11.805 -6.714 1.00 0.00 H new ATOM 550 N CYS A 37 -1.458 -14.690 -2.563 1.00 0.00 N ATOM 551 CA CYS A 37 -0.521 -14.011 -3.464 1.00 0.00 C ATOM 552 C CYS A 37 0.943 -14.107 -2.984 1.00 0.00 C ATOM 553 O CYS A 37 1.442 -13.269 -2.224 1.00 0.00 O ATOM 554 CB CYS A 37 -1.012 -12.579 -3.702 1.00 0.00 C ATOM 555 SG CYS A 37 -0.102 -11.875 -5.108 1.00 0.00 S ATOM 0 H CYS A 37 -1.739 -14.123 -1.763 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.507 -14.523 -4.426 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.083 -12.576 -3.906 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.856 -11.973 -2.810 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.754 -10.854 -5.580 1.00 0.00 H new ATOM 561 N GLY A 38 1.664 -15.119 -3.475 1.00 0.00 N ATOM 562 CA GLY A 38 3.105 -15.290 -3.239 1.00 0.00 C ATOM 563 C GLY A 38 3.955 -14.059 -3.609 1.00 0.00 C ATOM 564 O GLY A 38 4.793 -13.658 -2.801 1.00 0.00 O ATOM 0 H GLY A 38 1.260 -15.854 -4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.264 -15.525 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.457 -16.147 -3.814 1.00 0.00 H new ATOM 568 N PRO A 39 3.706 -13.368 -4.740 1.00 0.00 N ATOM 569 CA PRO A 39 4.363 -12.095 -5.045 1.00 0.00 C ATOM 570 C PRO A 39 4.067 -10.971 -4.034 1.00 0.00 C ATOM 571 O PRO A 39 4.949 -10.153 -3.768 1.00 0.00 O ATOM 572 CB PRO A 39 3.896 -11.731 -6.454 1.00 0.00 C ATOM 573 CG PRO A 39 3.590 -13.085 -7.091 1.00 0.00 C ATOM 574 CD PRO A 39 3.015 -13.873 -5.919 1.00 0.00 C ATOM 0 HA PRO A 39 5.445 -12.208 -4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.015 -11.090 -6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.667 -11.193 -7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.877 -12.997 -7.911 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.486 -13.555 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.938 -13.726 -5.837 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.182 -14.943 -6.045 1.00 0.00 H new ATOM 582 N CYS A 40 2.885 -10.943 -3.402 1.00 0.00 N ATOM 583 CA CYS A 40 2.635 -10.045 -2.267 1.00 0.00 C ATOM 584 C CYS A 40 3.492 -10.439 -1.060 1.00 0.00 C ATOM 585 O CYS A 40 4.093 -9.563 -0.439 1.00 0.00 O ATOM 586 CB CYS A 40 1.153 -10.001 -1.883 1.00 0.00 C ATOM 587 SG CYS A 40 0.205 -9.110 -3.143 1.00 0.00 S ATOM 0 H CYS A 40 2.090 -11.530 -3.657 1.00 0.00 H new ATOM 0 HA CYS A 40 2.919 -9.042 -2.585 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.767 -11.015 -1.777 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.035 -9.512 -0.916 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.208 -9.947 -4.048 1.00 0.00 H new ATOM 593 N LYS A 41 3.631 -11.742 -0.765 1.00 0.00 N ATOM 594 CA LYS A 41 4.569 -12.222 0.274 1.00 0.00 C ATOM 595 C LYS A 41 6.035 -11.869 -0.038 1.00 0.00 C ATOM 596 O LYS A 41 6.807 -11.640 0.892 1.00 0.00 O ATOM 597 CB LYS A 41 4.412 -13.736 0.530 1.00 0.00 C ATOM 598 CG LYS A 41 3.294 -14.097 1.522 1.00 0.00 C ATOM 599 CD LYS A 41 1.879 -13.845 0.982 1.00 0.00 C ATOM 600 CE LYS A 41 0.796 -14.260 1.983 1.00 0.00 C ATOM 601 NZ LYS A 41 0.697 -15.737 2.147 1.00 0.00 N ATOM 0 H LYS A 41 3.108 -12.485 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 41 4.301 -11.693 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.215 -14.235 -0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.357 -14.129 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.387 -15.149 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.432 -13.519 2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.766 -12.787 0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.743 -14.397 0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.008 -13.805 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.167 -13.870 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.158 -16.083 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.536 -16.189 1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.643 -15.971 3.159 1.00 0.00 H new ATOM 615 N MET A 42 6.418 -11.766 -1.316 1.00 0.00 N ATOM 616 CA MET A 42 7.766 -11.351 -1.746 1.00 0.00 C ATOM 617 C MET A 42 8.039 -9.849 -1.541 1.00 0.00 C ATOM 618 O MET A 42 9.138 -9.496 -1.109 1.00 0.00 O ATOM 619 CB MET A 42 8.005 -11.735 -3.216 1.00 0.00 C ATOM 620 CG MET A 42 8.107 -13.252 -3.425 1.00 0.00 C ATOM 621 SD MET A 42 8.031 -13.792 -5.158 1.00 0.00 S ATOM 622 CE MET A 42 9.539 -13.030 -5.823 1.00 0.00 C ATOM 0 H MET A 42 5.793 -11.971 -2.096 1.00 0.00 H new ATOM 0 HA MET A 42 8.467 -11.886 -1.106 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.192 -11.343 -3.826 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.923 -11.262 -3.566 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.044 -13.602 -2.991 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.301 -13.735 -2.873 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.661 -13.315 -6.868 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.461 -11.945 -5.750 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.402 -13.371 -5.251 1.00 0.00 H new ATOM 632 N VAL A 43 7.068 -8.960 -1.803 1.00 0.00 N ATOM 633 CA VAL A 43 7.226 -7.499 -1.576 1.00 0.00 C ATOM 634 C VAL A 43 6.892 -7.052 -0.142 1.00 0.00 C ATOM 635 O VAL A 43 7.376 -6.012 0.302 1.00 0.00 O ATOM 636 CB VAL A 43 6.490 -6.688 -2.663 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.967 -6.769 -2.556 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.902 -5.211 -2.697 1.00 0.00 C ATOM 0 H VAL A 43 6.155 -9.222 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 43 8.289 -7.278 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 43 6.800 -7.164 -3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.514 -6.176 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.650 -7.807 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.649 -6.381 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.348 -4.697 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.680 -4.749 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.971 -5.136 -2.898 1.00 0.00 H new ATOM 648 N ALA A 44 6.148 -7.852 0.632 1.00 0.00 N ATOM 649 CA ALA A 44 5.821 -7.587 2.039 1.00 0.00 C ATOM 650 C ALA A 44 7.026 -7.232 2.947 1.00 0.00 C ATOM 651 O ALA A 44 6.931 -6.214 3.636 1.00 0.00 O ATOM 652 CB ALA A 44 5.026 -8.773 2.604 1.00 0.00 C ATOM 0 H ALA A 44 5.746 -8.724 0.288 1.00 0.00 H new ATOM 0 HA ALA A 44 5.217 -6.680 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.780 -8.582 3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.107 -8.900 2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.626 -9.680 2.533 1.00 0.00 H new ATOM 658 N PRO A 45 8.164 -7.961 2.958 1.00 0.00 N ATOM 659 CA PRO A 45 9.329 -7.570 3.761 1.00 0.00 C ATOM 660 C PRO A 45 9.981 -6.264 3.278 1.00 0.00 C ATOM 661 O PRO A 45 10.553 -5.534 4.087 1.00 0.00 O ATOM 662 CB PRO A 45 10.299 -8.755 3.685 1.00 0.00 C ATOM 663 CG PRO A 45 9.939 -9.430 2.363 1.00 0.00 C ATOM 664 CD PRO A 45 8.428 -9.233 2.298 1.00 0.00 C ATOM 0 HA PRO A 45 9.032 -7.356 4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.338 -8.424 3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.171 -9.433 4.529 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.446 -8.965 1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.212 -10.485 2.358 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.080 -9.217 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.906 -10.049 2.798 1.00 0.00 H new ATOM 672 N VAL A 46 9.864 -5.922 1.988 1.00 0.00 N ATOM 673 CA VAL A 46 10.372 -4.648 1.447 1.00 0.00 C ATOM 674 C VAL A 46 9.495 -3.486 1.927 1.00 0.00 C ATOM 675 O VAL A 46 10.009 -2.498 2.451 1.00 0.00 O ATOM 676 CB VAL A 46 10.496 -4.669 -0.093 1.00 0.00 C ATOM 677 CG1 VAL A 46 11.351 -3.501 -0.556 1.00 0.00 C ATOM 678 CG2 VAL A 46 11.160 -5.959 -0.594 1.00 0.00 C ATOM 0 H VAL A 46 9.417 -6.516 1.290 1.00 0.00 H new ATOM 0 HA VAL A 46 11.382 -4.503 1.829 1.00 0.00 H new ATOM 0 HB VAL A 46 9.486 -4.605 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.436 -3.520 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.888 -2.565 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.344 -3.579 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.228 -5.934 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.160 -6.042 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.563 -6.818 -0.287 1.00 0.00 H new ATOM 688 N LEU A 47 8.168 -3.638 1.848 1.00 0.00 N ATOM 689 CA LEU A 47 7.189 -2.703 2.418 1.00 0.00 C ATOM 690 C LEU A 47 7.337 -2.547 3.941 1.00 0.00 C ATOM 691 O LEU A 47 7.201 -1.439 4.454 1.00 0.00 O ATOM 692 CB LEU A 47 5.775 -3.206 2.081 1.00 0.00 C ATOM 693 CG LEU A 47 5.321 -2.861 0.654 1.00 0.00 C ATOM 694 CD1 LEU A 47 4.177 -3.786 0.255 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.837 -1.411 0.573 1.00 0.00 C ATOM 0 H LEU A 47 7.735 -4.432 1.376 1.00 0.00 H new ATOM 0 HA LEU A 47 7.367 -1.720 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.743 -4.288 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.068 -2.778 2.791 1.00 0.00 H new ATOM 0 HG LEU A 47 6.168 -2.988 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.851 -3.546 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.517 -4.821 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.344 -3.654 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.521 -1.189 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.997 -1.269 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.649 -0.740 0.855 1.00 0.00 H new ATOM 707 N GLU A 48 7.656 -3.625 4.663 1.00 0.00 N ATOM 708 CA GLU A 48 7.918 -3.577 6.106 1.00 0.00 C ATOM 709 C GLU A 48 9.150 -2.716 6.429 1.00 0.00 C ATOM 710 O GLU A 48 9.115 -1.927 7.371 1.00 0.00 O ATOM 711 CB GLU A 48 8.094 -5.002 6.658 1.00 0.00 C ATOM 712 CG GLU A 48 7.923 -5.037 8.182 1.00 0.00 C ATOM 713 CD GLU A 48 8.509 -6.320 8.792 1.00 0.00 C ATOM 714 OE1 GLU A 48 7.903 -7.409 8.647 1.00 0.00 O ATOM 715 OE2 GLU A 48 9.584 -6.231 9.434 1.00 0.00 O ATOM 0 H GLU A 48 7.740 -4.559 4.263 1.00 0.00 H new ATOM 0 HA GLU A 48 7.059 -3.112 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.365 -5.666 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.082 -5.377 6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.412 -4.168 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.864 -4.967 8.431 1.00 0.00 H new ATOM 722 N GLU A 49 10.221 -2.792 5.633 1.00 0.00 N ATOM 723 CA GLU A 49 11.381 -1.907 5.794 1.00 0.00 C ATOM 724 C GLU A 49 11.066 -0.455 5.414 1.00 0.00 C ATOM 725 O GLU A 49 11.454 0.448 6.150 1.00 0.00 O ATOM 726 CB GLU A 49 12.586 -2.430 5.002 1.00 0.00 C ATOM 727 CG GLU A 49 13.192 -3.698 5.616 1.00 0.00 C ATOM 728 CD GLU A 49 13.809 -3.455 7.004 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.911 -2.862 7.090 1.00 0.00 O ATOM 730 OE2 GLU A 49 13.199 -3.872 8.017 1.00 0.00 O ATOM 0 H GLU A 49 10.310 -3.460 4.867 1.00 0.00 H new ATOM 0 HA GLU A 49 11.636 -1.911 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.279 -2.638 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.349 -1.653 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.419 -4.462 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.958 -4.089 4.947 1.00 0.00 H new ATOM 737 N ILE A 50 10.299 -0.198 4.346 1.00 0.00 N ATOM 738 CA ILE A 50 9.808 1.160 4.034 1.00 0.00 C ATOM 739 C ILE A 50 9.015 1.734 5.222 1.00 0.00 C ATOM 740 O ILE A 50 9.253 2.875 5.621 1.00 0.00 O ATOM 741 CB ILE A 50 8.955 1.146 2.742 1.00 0.00 C ATOM 742 CG1 ILE A 50 9.767 0.784 1.475 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.200 2.468 2.516 1.00 0.00 C ATOM 744 CD1 ILE A 50 10.887 1.756 1.080 1.00 0.00 C ATOM 0 H ILE A 50 10.002 -0.911 3.680 1.00 0.00 H new ATOM 0 HA ILE A 50 10.666 1.809 3.860 1.00 0.00 H new ATOM 0 HB ILE A 50 8.224 0.354 2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.207 -0.202 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.074 0.703 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.618 2.402 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.531 2.653 3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.915 3.286 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.382 1.394 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.463 2.742 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.613 1.823 1.890 1.00 0.00 H new ATOM 756 N ALA A 51 8.131 0.940 5.834 1.00 0.00 N ATOM 757 CA ALA A 51 7.380 1.332 7.026 1.00 0.00 C ATOM 758 C ALA A 51 8.312 1.620 8.214 1.00 0.00 C ATOM 759 O ALA A 51 8.194 2.652 8.871 1.00 0.00 O ATOM 760 CB ALA A 51 6.395 0.209 7.375 1.00 0.00 C ATOM 0 H ALA A 51 7.916 -0.003 5.510 1.00 0.00 H new ATOM 0 HA ALA A 51 6.838 2.254 6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.827 0.486 8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.711 0.052 6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.946 -0.711 7.570 1.00 0.00 H new ATOM 766 N THR A 52 9.263 0.718 8.458 1.00 0.00 N ATOM 767 CA THR A 52 10.217 0.780 9.578 1.00 0.00 C ATOM 768 C THR A 52 11.104 2.025 9.486 1.00 0.00 C ATOM 769 O THR A 52 11.355 2.690 10.492 1.00 0.00 O ATOM 770 CB THR A 52 11.090 -0.492 9.612 1.00 0.00 C ATOM 771 OG1 THR A 52 10.279 -1.634 9.802 1.00 0.00 O ATOM 772 CG2 THR A 52 12.098 -0.505 10.760 1.00 0.00 C ATOM 0 H THR A 52 9.399 -0.102 7.867 1.00 0.00 H new ATOM 0 HA THR A 52 9.642 0.842 10.502 1.00 0.00 H new ATOM 0 HB THR A 52 11.619 -0.501 8.659 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.900 -1.913 8.942 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.678 -1.427 10.724 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.768 0.349 10.665 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.568 -0.447 11.711 1.00 0.00 H new ATOM 780 N GLU A 53 11.572 2.360 8.282 1.00 0.00 N ATOM 781 CA GLU A 53 12.540 3.433 8.045 1.00 0.00 C ATOM 782 C GLU A 53 11.914 4.816 7.802 1.00 0.00 C ATOM 783 O GLU A 53 12.478 5.817 8.250 1.00 0.00 O ATOM 784 CB GLU A 53 13.465 3.032 6.887 1.00 0.00 C ATOM 785 CG GLU A 53 14.297 1.785 7.237 1.00 0.00 C ATOM 786 CD GLU A 53 15.568 1.708 6.377 1.00 0.00 C ATOM 787 OE1 GLU A 53 15.466 1.362 5.176 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.675 1.998 6.892 1.00 0.00 O ATOM 0 H GLU A 53 11.283 1.884 7.428 1.00 0.00 H new ATOM 0 HA GLU A 53 13.112 3.549 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.870 2.835 5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.132 3.861 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.569 1.810 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.696 0.889 7.084 1.00 0.00 H new ATOM 795 N ARG A 54 10.769 4.899 7.105 1.00 0.00 N ATOM 796 CA ARG A 54 10.150 6.172 6.675 1.00 0.00 C ATOM 797 C ARG A 54 8.874 6.555 7.435 1.00 0.00 C ATOM 798 O ARG A 54 8.165 7.451 6.984 1.00 0.00 O ATOM 799 CB ARG A 54 9.936 6.210 5.144 1.00 0.00 C ATOM 800 CG ARG A 54 11.153 5.910 4.246 1.00 0.00 C ATOM 801 CD ARG A 54 12.529 6.442 4.686 1.00 0.00 C ATOM 802 NE ARG A 54 12.544 7.864 5.086 1.00 0.00 N ATOM 803 CZ ARG A 54 13.609 8.552 5.460 1.00 0.00 C ATOM 804 NH1 ARG A 54 14.816 8.060 5.431 1.00 0.00 N ATOM 805 NH2 ARG A 54 13.463 9.771 5.878 1.00 0.00 N ATOM 0 H ARG A 54 10.238 4.077 6.819 1.00 0.00 H new ATOM 0 HA ARG A 54 10.874 6.941 6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.151 5.495 4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.560 7.199 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.232 4.828 4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.942 6.311 3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.885 5.840 5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.236 6.302 3.868 1.00 0.00 H new ATOM 0 HE ARG A 54 11.653 8.359 5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.970 7.104 5.109 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.607 8.631 5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.534 10.189 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.278 10.311 6.169 1.00 0.00 H new ATOM 819 N ALA A 55 8.595 5.951 8.595 1.00 0.00 N ATOM 820 CA ALA A 55 7.384 6.203 9.398 1.00 0.00 C ATOM 821 C ALA A 55 7.099 7.699 9.672 1.00 0.00 C ATOM 822 O ALA A 55 5.942 8.123 9.716 1.00 0.00 O ATOM 823 CB ALA A 55 7.534 5.467 10.737 1.00 0.00 C ATOM 0 H ALA A 55 9.215 5.258 9.014 1.00 0.00 H new ATOM 0 HA ALA A 55 6.537 5.838 8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.648 5.640 11.348 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.646 4.398 10.554 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.414 5.840 11.260 1.00 0.00 H new ATOM 829 N THR A 56 8.153 8.507 9.832 1.00 0.00 N ATOM 830 CA THR A 56 8.064 9.957 10.093 1.00 0.00 C ATOM 831 C THR A 56 7.624 10.764 8.860 1.00 0.00 C ATOM 832 O THR A 56 7.011 11.825 8.992 1.00 0.00 O ATOM 833 CB THR A 56 9.400 10.464 10.668 1.00 0.00 C ATOM 834 OG1 THR A 56 9.257 11.770 11.187 1.00 0.00 O ATOM 835 CG2 THR A 56 10.556 10.478 9.661 1.00 0.00 C ATOM 0 H THR A 56 9.114 8.169 9.784 1.00 0.00 H new ATOM 0 HA THR A 56 7.279 10.114 10.833 1.00 0.00 H new ATOM 0 HB THR A 56 9.654 9.750 11.451 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.115 12.074 11.549 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.458 10.848 10.148 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.731 9.467 9.294 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.302 11.129 8.824 1.00 0.00 H new ATOM 843 N ASP A 57 7.866 10.242 7.652 1.00 0.00 N ATOM 844 CA ASP A 57 7.475 10.860 6.381 1.00 0.00 C ATOM 845 C ASP A 57 6.134 10.317 5.877 1.00 0.00 C ATOM 846 O ASP A 57 5.223 11.090 5.584 1.00 0.00 O ATOM 847 CB ASP A 57 8.539 10.582 5.312 1.00 0.00 C ATOM 848 CG ASP A 57 9.959 10.938 5.755 1.00 0.00 C ATOM 849 OD1 ASP A 57 10.295 12.142 5.840 1.00 0.00 O ATOM 850 OD2 ASP A 57 10.753 9.996 5.986 1.00 0.00 O ATOM 0 H ASP A 57 8.352 9.354 7.529 1.00 0.00 H new ATOM 0 HA ASP A 57 7.380 11.931 6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.505 9.526 5.043 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.295 11.148 4.413 1.00 0.00 H new ATOM 855 N LEU A 58 6.008 8.985 5.806 1.00 0.00 N ATOM 856 CA LEU A 58 4.859 8.274 5.248 1.00 0.00 C ATOM 857 C LEU A 58 4.394 7.098 6.120 1.00 0.00 C ATOM 858 O LEU A 58 5.163 6.522 6.888 1.00 0.00 O ATOM 859 CB LEU A 58 5.072 7.911 3.755 1.00 0.00 C ATOM 860 CG LEU A 58 6.318 7.144 3.273 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.485 5.780 3.941 1.00 0.00 C ATOM 862 CD2 LEU A 58 6.200 6.899 1.766 1.00 0.00 C ATOM 0 H LEU A 58 6.732 8.354 6.149 1.00 0.00 H new ATOM 0 HA LEU A 58 4.019 8.969 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.204 7.328 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.043 8.847 3.196 1.00 0.00 H new ATOM 0 HG LEU A 58 7.179 7.759 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.381 5.294 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.578 5.912 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.615 5.160 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.078 6.356 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.305 6.311 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.133 7.855 1.246 1.00 0.00 H new ATOM 874 N THR A 59 3.110 6.762 6.020 1.00 0.00 N ATOM 875 CA THR A 59 2.496 5.611 6.709 1.00 0.00 C ATOM 876 C THR A 59 2.270 4.480 5.705 1.00 0.00 C ATOM 877 O THR A 59 1.826 4.741 4.587 1.00 0.00 O ATOM 878 CB THR A 59 1.181 6.017 7.396 1.00 0.00 C ATOM 879 OG1 THR A 59 1.441 7.040 8.338 1.00 0.00 O ATOM 880 CG2 THR A 59 0.524 4.872 8.167 1.00 0.00 C ATOM 0 H THR A 59 2.448 7.287 5.449 1.00 0.00 H new ATOM 0 HA THR A 59 3.172 5.260 7.489 1.00 0.00 H new ATOM 0 HB THR A 59 0.510 6.336 6.599 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.812 6.646 9.155 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.399 5.226 8.627 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.298 4.055 7.482 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.204 4.518 8.942 1.00 0.00 H new ATOM 888 N VAL A 60 2.563 3.230 6.082 1.00 0.00 N ATOM 889 CA VAL A 60 2.418 2.052 5.205 1.00 0.00 C ATOM 890 C VAL A 60 1.255 1.171 5.677 1.00 0.00 C ATOM 891 O VAL A 60 1.163 0.826 6.854 1.00 0.00 O ATOM 892 CB VAL A 60 3.741 1.271 5.077 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.607 0.085 4.111 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.861 2.167 4.532 1.00 0.00 C ATOM 0 H VAL A 60 2.911 3.001 7.013 1.00 0.00 H new ATOM 0 HA VAL A 60 2.175 2.399 4.201 1.00 0.00 H new ATOM 0 HB VAL A 60 3.981 0.917 6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.559 -0.441 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.839 -0.597 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.327 0.450 3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.782 1.590 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.581 2.541 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.017 3.007 5.209 1.00 0.00 H new ATOM 904 N ALA A 61 0.360 0.813 4.760 1.00 0.00 N ATOM 905 CA ALA A 61 -0.922 0.165 5.022 1.00 0.00 C ATOM 906 C ALA A 61 -1.182 -1.050 4.109 1.00 0.00 C ATOM 907 O ALA A 61 -0.595 -1.180 3.032 1.00 0.00 O ATOM 908 CB ALA A 61 -2.022 1.225 4.881 1.00 0.00 C ATOM 0 H ALA A 61 0.517 0.975 3.765 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.913 -0.241 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.993 0.769 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.850 2.026 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.005 1.634 3.871 1.00 0.00 H new ATOM 914 N LYS A 62 -2.096 -1.928 4.535 1.00 0.00 N ATOM 915 CA LYS A 62 -2.471 -3.187 3.870 1.00 0.00 C ATOM 916 C LYS A 62 -3.987 -3.289 3.660 1.00 0.00 C ATOM 917 O LYS A 62 -4.738 -3.153 4.625 1.00 0.00 O ATOM 918 CB LYS A 62 -1.973 -4.354 4.746 1.00 0.00 C ATOM 919 CG LYS A 62 -0.461 -4.619 4.654 1.00 0.00 C ATOM 920 CD LYS A 62 -0.105 -5.428 3.400 1.00 0.00 C ATOM 921 CE LYS A 62 1.392 -5.749 3.364 1.00 0.00 C ATOM 922 NZ LYS A 62 1.702 -6.672 2.243 1.00 0.00 N ATOM 0 H LYS A 62 -2.622 -1.775 5.395 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.012 -3.222 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.231 -4.148 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.506 -5.260 4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.075 -3.670 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.131 -5.159 5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.680 -6.354 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.382 -4.865 2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.964 -4.828 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.695 -6.201 4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.715 -6.905 2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.145 -7.544 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.463 -6.214 1.340 1.00 0.00 H new ATOM 936 N LEU A 63 -4.424 -3.599 2.434 1.00 0.00 N ATOM 937 CA LEU A 63 -5.815 -3.946 2.090 1.00 0.00 C ATOM 938 C LEU A 63 -5.852 -5.386 1.547 1.00 0.00 C ATOM 939 O LEU A 63 -5.269 -5.673 0.501 1.00 0.00 O ATOM 940 CB LEU A 63 -6.363 -2.899 1.087 1.00 0.00 C ATOM 941 CG LEU A 63 -7.856 -2.974 0.674 1.00 0.00 C ATOM 942 CD1 LEU A 63 -8.205 -4.240 -0.111 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.793 -2.862 1.875 1.00 0.00 C ATOM 0 H LEU A 63 -3.802 -3.617 1.626 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.462 -3.918 2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.187 -1.911 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.765 -2.967 0.178 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.003 -2.116 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.264 -4.228 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.610 -4.278 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.989 -5.117 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.827 -2.920 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.593 -3.678 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.628 -1.909 2.377 1.00 0.00 H new ATOM 955 N ASP A 64 -6.541 -6.293 2.246 1.00 0.00 N ATOM 956 CA ASP A 64 -6.705 -7.691 1.819 1.00 0.00 C ATOM 957 C ASP A 64 -7.853 -7.823 0.803 1.00 0.00 C ATOM 958 O ASP A 64 -9.032 -7.787 1.170 1.00 0.00 O ATOM 959 CB ASP A 64 -6.917 -8.586 3.051 1.00 0.00 C ATOM 960 CG ASP A 64 -7.211 -10.061 2.705 1.00 0.00 C ATOM 961 OD1 ASP A 64 -6.966 -10.494 1.554 1.00 0.00 O ATOM 962 OD2 ASP A 64 -7.692 -10.791 3.604 1.00 0.00 O ATOM 0 H ASP A 64 -7.004 -6.079 3.129 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.798 -8.023 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.028 -8.540 3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.744 -8.189 3.639 1.00 0.00 H new ATOM 967 N VAL A 65 -7.525 -7.993 -0.481 1.00 0.00 N ATOM 968 CA VAL A 65 -8.512 -8.046 -1.576 1.00 0.00 C ATOM 969 C VAL A 65 -9.438 -9.260 -1.492 1.00 0.00 C ATOM 970 O VAL A 65 -10.512 -9.252 -2.090 1.00 0.00 O ATOM 971 CB VAL A 65 -7.857 -7.988 -2.973 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.826 -6.856 -3.066 1.00 0.00 C ATOM 973 CG2 VAL A 65 -7.181 -9.285 -3.423 1.00 0.00 C ATOM 0 H VAL A 65 -6.561 -8.099 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.118 -7.150 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.698 -7.809 -3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.386 -6.846 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.316 -5.901 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.043 -7.016 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.751 -9.146 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.392 -9.547 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.918 -10.087 -3.457 1.00 0.00 H new ATOM 983 N ASP A 66 -9.055 -10.298 -0.743 1.00 0.00 N ATOM 984 CA ASP A 66 -9.856 -11.512 -0.578 1.00 0.00 C ATOM 985 C ASP A 66 -11.016 -11.328 0.423 1.00 0.00 C ATOM 986 O ASP A 66 -11.987 -12.087 0.380 1.00 0.00 O ATOM 987 CB ASP A 66 -8.935 -12.678 -0.194 1.00 0.00 C ATOM 988 CG ASP A 66 -9.560 -14.028 -0.575 1.00 0.00 C ATOM 989 OD1 ASP A 66 -9.642 -14.313 -1.795 1.00 0.00 O ATOM 990 OD2 ASP A 66 -9.941 -14.811 0.328 1.00 0.00 O ATOM 0 H ASP A 66 -8.173 -10.319 -0.231 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.335 -11.741 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.973 -12.565 -0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.741 -12.654 0.878 1.00 0.00 H new ATOM 995 N THR A 67 -10.944 -10.307 1.294 1.00 0.00 N ATOM 996 CA THR A 67 -12.012 -9.947 2.251 1.00 0.00 C ATOM 997 C THR A 67 -12.583 -8.531 2.057 1.00 0.00 C ATOM 998 O THR A 67 -13.705 -8.270 2.493 1.00 0.00 O ATOM 999 CB THR A 67 -11.541 -10.196 3.696 1.00 0.00 C ATOM 1000 OG1 THR A 67 -12.646 -10.441 4.545 1.00 0.00 O ATOM 1001 CG2 THR A 67 -10.728 -9.053 4.305 1.00 0.00 C ATOM 0 H THR A 67 -10.129 -9.696 1.356 1.00 0.00 H new ATOM 0 HA THR A 67 -12.854 -10.606 2.040 1.00 0.00 H new ATOM 0 HB THR A 67 -10.886 -11.064 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.328 -10.599 5.459 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.439 -9.314 5.323 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.834 -8.883 3.706 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.332 -8.146 4.321 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.873 -7.631 1.360 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.347 -6.300 0.957 1.00 0.00 C ATOM 1011 C ASN A 68 -12.251 -6.107 -0.582 1.00 0.00 C ATOM 1012 O ASN A 68 -11.558 -5.196 -1.051 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.563 -5.227 1.742 1.00 0.00 C ATOM 1014 CG ASN A 68 -11.522 -5.440 3.245 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -10.483 -5.707 3.826 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -12.623 -5.304 3.949 1.00 0.00 N ATOM 0 H ASN A 68 -10.919 -7.818 1.051 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.404 -6.198 1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.541 -5.196 1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.007 -4.252 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.598 -5.422 4.962 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.502 -5.081 3.483 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.923 -6.942 -1.405 1.00 0.00 N ATOM 1024 CA PRO A 69 -12.785 -6.907 -2.866 1.00 0.00 C ATOM 1025 C PRO A 69 -13.297 -5.603 -3.493 1.00 0.00 C ATOM 1026 O PRO A 69 -12.784 -5.170 -4.522 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.574 -8.119 -3.379 1.00 0.00 C ATOM 1028 CG PRO A 69 -14.616 -8.359 -2.289 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.853 -7.995 -1.018 1.00 0.00 C ATOM 0 HA PRO A 69 -11.733 -6.947 -3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.042 -7.914 -4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.930 -8.988 -3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.498 -7.734 -2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.958 -9.394 -2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.532 -7.650 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.322 -8.859 -0.619 1.00 0.00 H new ATOM 1037 N GLU A 70 -14.265 -4.930 -2.867 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.812 -3.669 -3.384 1.00 0.00 C ATOM 1039 C GLU A 70 -13.832 -2.494 -3.236 1.00 0.00 C ATOM 1040 O GLU A 70 -13.828 -1.598 -4.079 1.00 0.00 O ATOM 1041 CB GLU A 70 -16.168 -3.362 -2.728 1.00 0.00 C ATOM 1042 CG GLU A 70 -17.205 -4.488 -2.899 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.324 -4.978 -4.355 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -17.537 -4.153 -5.274 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.167 -6.194 -4.612 1.00 0.00 O ATOM 0 H GLU A 70 -14.691 -5.239 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.969 -3.798 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.015 -3.179 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.569 -2.443 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.931 -5.327 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.178 -4.133 -2.560 1.00 0.00 H new ATOM 1052 N THR A 71 -12.933 -2.522 -2.246 1.00 0.00 N ATOM 1053 CA THR A 71 -11.833 -1.545 -2.124 1.00 0.00 C ATOM 1054 C THR A 71 -10.795 -1.742 -3.229 1.00 0.00 C ATOM 1055 O THR A 71 -10.330 -0.769 -3.820 1.00 0.00 O ATOM 1056 CB THR A 71 -11.167 -1.613 -0.746 1.00 0.00 C ATOM 1057 OG1 THR A 71 -12.132 -1.776 0.265 1.00 0.00 O ATOM 1058 CG2 THR A 71 -10.404 -0.336 -0.406 1.00 0.00 C ATOM 0 H THR A 71 -12.943 -3.221 -1.504 1.00 0.00 H new ATOM 0 HA THR A 71 -12.271 -0.553 -2.236 1.00 0.00 H new ATOM 0 HB THR A 71 -10.481 -2.459 -0.792 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.688 -1.819 1.137 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.951 -0.435 0.580 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.624 -0.169 -1.149 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.092 0.510 -0.406 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.491 -2.998 -3.579 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.648 -3.334 -4.729 1.00 0.00 C ATOM 1068 C ALA A 72 -10.283 -2.907 -6.062 1.00 0.00 C ATOM 1069 O ALA A 72 -9.593 -2.418 -6.961 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.341 -4.833 -4.678 1.00 0.00 C ATOM 0 H ALA A 72 -10.826 -3.814 -3.067 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.714 -2.775 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.713 -5.105 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.818 -5.066 -3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.273 -5.397 -4.720 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.611 -3.033 -6.174 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.365 -2.627 -7.364 1.00 0.00 C ATOM 1078 C ARG A 73 -12.452 -1.102 -7.517 1.00 0.00 C ATOM 1079 O ARG A 73 -12.311 -0.596 -8.629 1.00 0.00 O ATOM 1080 CB ARG A 73 -13.765 -3.269 -7.302 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.477 -3.298 -8.665 1.00 0.00 C ATOM 1082 CD ARG A 73 -15.976 -3.632 -8.548 1.00 0.00 C ATOM 1083 NE ARG A 73 -16.259 -4.819 -7.716 1.00 0.00 N ATOM 1084 CZ ARG A 73 -16.083 -6.092 -8.014 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -15.626 -6.485 -9.171 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -16.368 -7.006 -7.136 1.00 0.00 N ATOM 0 H ARG A 73 -12.196 -3.423 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.835 -2.980 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.675 -4.288 -6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.379 -2.718 -6.590 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.362 -2.329 -9.151 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.994 -4.035 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.498 -2.773 -8.128 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.381 -3.795 -9.547 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.641 -4.630 -6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.390 -5.797 -9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.505 -7.480 -9.360 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.727 -6.738 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.233 -7.991 -7.363 1.00 0.00 H new ATOM 1100 N ASN A 74 -12.635 -0.367 -6.415 1.00 0.00 N ATOM 1101 CA ASN A 74 -12.887 1.082 -6.396 1.00 0.00 C ATOM 1102 C ASN A 74 -11.798 1.914 -7.102 1.00 0.00 C ATOM 1103 O ASN A 74 -12.115 2.855 -7.830 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.047 1.521 -4.927 1.00 0.00 C ATOM 1105 CG ASN A 74 -13.347 3.006 -4.801 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -14.466 3.454 -5.012 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -12.370 3.823 -4.476 1.00 0.00 N ATOM 0 H ASN A 74 -12.611 -0.775 -5.481 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.798 1.271 -6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.851 0.949 -4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.134 1.289 -4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.547 4.825 -4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.435 3.455 -4.299 1.00 0.00 H new ATOM 1114 N PHE A 75 -10.525 1.552 -6.912 1.00 0.00 N ATOM 1115 CA PHE A 75 -9.371 2.219 -7.538 1.00 0.00 C ATOM 1116 C PHE A 75 -8.878 1.503 -8.815 1.00 0.00 C ATOM 1117 O PHE A 75 -7.857 1.884 -9.389 1.00 0.00 O ATOM 1118 CB PHE A 75 -8.264 2.393 -6.484 1.00 0.00 C ATOM 1119 CG PHE A 75 -8.706 3.120 -5.225 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -8.863 4.519 -5.234 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -8.976 2.396 -4.048 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -9.290 5.190 -4.072 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -9.411 3.065 -2.890 1.00 0.00 C ATOM 1124 CZ PHE A 75 -9.567 4.462 -2.902 1.00 0.00 C ATOM 0 H PHE A 75 -10.259 0.774 -6.309 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.684 3.204 -7.886 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.885 1.409 -6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.434 2.940 -6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.656 5.079 -6.134 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.849 1.324 -4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.405 6.264 -4.080 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.625 2.505 -1.991 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.900 4.976 -2.012 1.00 0.00 H new ATOM 1134 N GLN A 76 -9.579 0.443 -9.245 1.00 0.00 N ATOM 1135 CA GLN A 76 -9.152 -0.523 -10.263 1.00 0.00 C ATOM 1136 C GLN A 76 -7.719 -1.030 -10.018 1.00 0.00 C ATOM 1137 O GLN A 76 -6.834 -0.916 -10.867 1.00 0.00 O ATOM 1138 CB GLN A 76 -9.416 0.023 -11.678 1.00 0.00 C ATOM 1139 CG GLN A 76 -9.335 -1.096 -12.728 1.00 0.00 C ATOM 1140 CD GLN A 76 -9.665 -0.586 -14.131 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -10.771 -0.738 -14.636 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -8.731 0.045 -14.813 1.00 0.00 N ATOM 0 H GLN A 76 -10.504 0.228 -8.873 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.766 -1.420 -10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.401 0.488 -11.713 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.688 0.800 -11.913 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.333 -1.526 -12.724 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.026 -1.896 -12.461 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.805 0.179 -14.406 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.934 0.399 -15.748 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.476 -1.561 -8.818 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.181 -2.091 -8.357 1.00 0.00 C ATOM 1153 C VAL A 77 -6.212 -3.611 -8.124 1.00 0.00 C ATOM 1154 O VAL A 77 -5.307 -4.171 -7.508 1.00 0.00 O ATOM 1155 CB VAL A 77 -5.681 -1.320 -7.123 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.335 0.140 -7.435 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.661 -1.356 -5.954 1.00 0.00 C ATOM 0 H VAL A 77 -8.204 -1.639 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.461 -1.931 -9.160 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.772 -1.845 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.988 0.634 -6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.549 0.174 -8.190 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.221 0.652 -7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.249 -0.794 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.608 -0.910 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.828 -2.390 -5.651 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.245 -4.291 -8.641 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.523 -5.727 -8.435 1.00 0.00 C ATOM 1169 C VAL A 78 -6.393 -6.670 -8.900 1.00 0.00 C ATOM 1170 O VAL A 78 -6.296 -7.799 -8.418 1.00 0.00 O ATOM 1171 CB VAL A 78 -8.839 -6.145 -9.129 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -10.050 -5.422 -8.534 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -8.840 -5.902 -10.647 1.00 0.00 C ATOM 0 H VAL A 78 -7.939 -3.842 -9.238 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.607 -5.837 -7.354 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.910 -7.218 -8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.955 -5.744 -9.049 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.132 -5.661 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.927 -4.346 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.795 -6.219 -11.066 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.691 -4.841 -10.846 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.034 -6.474 -11.108 1.00 0.00 H new ATOM 1183 N SER A 79 -5.537 -6.221 -9.825 1.00 0.00 N ATOM 1184 CA SER A 79 -4.469 -6.995 -10.487 1.00 0.00 C ATOM 1185 C SER A 79 -3.200 -7.148 -9.626 1.00 0.00 C ATOM 1186 O SER A 79 -2.094 -6.803 -10.051 1.00 0.00 O ATOM 1187 CB SER A 79 -4.153 -6.378 -11.859 1.00 0.00 C ATOM 1188 OG SER A 79 -5.333 -6.271 -12.644 1.00 0.00 O ATOM 0 H SER A 79 -5.569 -5.256 -10.153 1.00 0.00 H new ATOM 0 HA SER A 79 -4.844 -8.009 -10.628 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.708 -5.392 -11.726 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.418 -6.992 -12.379 1.00 0.00 H new ATOM 0 HG SER A 79 -5.113 -5.875 -13.513 1.00 0.00 H new ATOM 1194 N ILE A 80 -3.366 -7.633 -8.391 1.00 0.00 N ATOM 1195 CA ILE A 80 -2.337 -7.612 -7.340 1.00 0.00 C ATOM 1196 C ILE A 80 -1.073 -8.453 -7.653 1.00 0.00 C ATOM 1197 O ILE A 80 -1.179 -9.444 -8.386 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.940 -7.972 -5.964 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -3.526 -9.397 -5.886 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -3.983 -6.913 -5.563 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.654 -9.875 -4.435 1.00 0.00 C ATOM 0 H ILE A 80 -4.239 -8.062 -8.085 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.979 -6.583 -7.307 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.117 -7.969 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.506 -9.415 -6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.888 -10.084 -6.441 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.407 -7.169 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.505 -5.935 -5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.777 -6.884 -6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.070 -10.882 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.670 -9.881 -3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.313 -9.202 -3.887 1.00 0.00 H new ATOM 1213 N PRO A 81 0.121 -8.105 -7.111 1.00 0.00 N ATOM 1214 CA PRO A 81 0.401 -6.996 -6.184 1.00 0.00 C ATOM 1215 C PRO A 81 0.153 -5.616 -6.796 1.00 0.00 C ATOM 1216 O PRO A 81 0.592 -5.356 -7.917 1.00 0.00 O ATOM 1217 CB PRO A 81 1.882 -7.119 -5.791 1.00 0.00 C ATOM 1218 CG PRO A 81 2.243 -8.557 -6.135 1.00 0.00 C ATOM 1219 CD PRO A 81 1.327 -8.890 -7.308 1.00 0.00 C ATOM 0 HA PRO A 81 -0.273 -7.072 -5.331 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.500 -6.411 -6.342 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.031 -6.914 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.294 -8.651 -6.408 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.072 -9.225 -5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.803 -8.642 -8.257 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.099 -9.956 -7.334 1.00 0.00 H new ATOM 1227 N THR A 82 -0.505 -4.731 -6.043 1.00 0.00 N ATOM 1228 CA THR A 82 -0.686 -3.324 -6.430 1.00 0.00 C ATOM 1229 C THR A 82 -0.430 -2.414 -5.237 1.00 0.00 C ATOM 1230 O THR A 82 -1.115 -2.494 -4.219 1.00 0.00 O ATOM 1231 CB THR A 82 -2.081 -3.031 -7.008 1.00 0.00 C ATOM 1232 OG1 THR A 82 -2.443 -3.956 -8.010 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.119 -1.635 -7.638 1.00 0.00 C ATOM 0 H THR A 82 -0.929 -4.967 -5.146 1.00 0.00 H new ATOM 0 HA THR A 82 0.038 -3.126 -7.220 1.00 0.00 H new ATOM 0 HB THR A 82 -2.780 -3.104 -6.175 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.409 -4.119 -7.971 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.113 -1.445 -8.042 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.886 -0.887 -6.880 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.384 -1.578 -8.441 1.00 0.00 H new ATOM 1241 N LEU A 83 0.541 -1.518 -5.380 1.00 0.00 N ATOM 1242 CA LEU A 83 0.935 -0.525 -4.393 1.00 0.00 C ATOM 1243 C LEU A 83 0.471 0.847 -4.893 1.00 0.00 C ATOM 1244 O LEU A 83 0.748 1.212 -6.037 1.00 0.00 O ATOM 1245 CB LEU A 83 2.463 -0.550 -4.196 1.00 0.00 C ATOM 1246 CG LEU A 83 3.081 -1.816 -3.562 1.00 0.00 C ATOM 1247 CD1 LEU A 83 3.055 -3.068 -4.447 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.556 -1.528 -3.286 1.00 0.00 C ATOM 0 H LEU A 83 1.101 -1.464 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 83 0.475 -0.741 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.930 -0.399 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.736 0.304 -3.576 1.00 0.00 H new ATOM 0 HG LEU A 83 2.480 -2.026 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.511 -3.901 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.023 -3.317 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.612 -2.877 -5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.020 -2.406 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.061 -1.289 -4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.640 -0.683 -2.602 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.219 1.611 -4.051 1.00 0.00 N ATOM 1261 CA ILE A 84 -0.723 2.951 -4.383 1.00 0.00 C ATOM 1262 C ILE A 84 -0.329 3.935 -3.270 1.00 0.00 C ATOM 1263 O ILE A 84 -0.479 3.640 -2.084 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.241 2.868 -4.699 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -2.728 3.872 -5.766 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.110 2.907 -3.440 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -2.764 5.356 -5.379 1.00 0.00 C ATOM 0 H ILE A 84 -0.450 1.317 -3.102 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.264 3.346 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.368 1.884 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.088 3.768 -6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.733 3.579 -6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.161 2.846 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.857 2.064 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.932 3.839 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.125 5.943 -6.223 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.431 5.494 -4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.761 5.686 -5.110 1.00 0.00 H new ATOM 1279 N LEU A 85 0.209 5.094 -3.640 1.00 0.00 N ATOM 1280 CA LEU A 85 0.598 6.169 -2.726 1.00 0.00 C ATOM 1281 C LEU A 85 -0.353 7.361 -2.904 1.00 0.00 C ATOM 1282 O LEU A 85 -0.540 7.834 -4.026 1.00 0.00 O ATOM 1283 CB LEU A 85 2.063 6.542 -3.015 1.00 0.00 C ATOM 1284 CG LEU A 85 2.701 7.531 -2.021 1.00 0.00 C ATOM 1285 CD1 LEU A 85 3.062 6.877 -0.692 1.00 0.00 C ATOM 1286 CD2 LEU A 85 3.991 8.098 -2.610 1.00 0.00 C ATOM 0 H LEU A 85 0.393 5.320 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 85 0.523 5.850 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.658 5.629 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.121 6.971 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 85 1.959 8.309 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.508 7.620 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.162 6.472 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.775 6.071 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.438 8.797 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.689 7.285 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.768 8.618 -3.542 1.00 0.00 H new ATOM 1298 N PHE A 86 -0.910 7.869 -1.806 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.734 9.082 -1.755 1.00 0.00 C ATOM 1300 C PHE A 86 -0.997 10.220 -1.030 1.00 0.00 C ATOM 1301 O PHE A 86 -0.215 9.955 -0.116 1.00 0.00 O ATOM 1302 CB PHE A 86 -3.063 8.795 -1.033 1.00 0.00 C ATOM 1303 CG PHE A 86 -3.958 7.733 -1.642 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -3.842 6.392 -1.229 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -4.966 8.090 -2.559 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.736 5.423 -1.715 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -5.846 7.115 -3.064 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.733 5.780 -2.639 1.00 0.00 C ATOM 0 H PHE A 86 -0.797 7.433 -0.891 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.935 9.391 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.836 8.501 -0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.628 9.725 -0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.064 6.107 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.064 9.118 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.657 4.400 -1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.608 7.392 -3.778 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.410 5.031 -3.021 1.00 0.00 H new ATOM 1318 N LYS A 87 -1.315 11.480 -1.362 1.00 0.00 N ATOM 1319 CA LYS A 87 -1.097 12.674 -0.519 1.00 0.00 C ATOM 1320 C LYS A 87 -2.386 13.496 -0.457 1.00 0.00 C ATOM 1321 O LYS A 87 -3.050 13.668 -1.477 1.00 0.00 O ATOM 1322 CB LYS A 87 0.068 13.557 -1.014 1.00 0.00 C ATOM 1323 CG LYS A 87 1.439 13.031 -0.561 1.00 0.00 C ATOM 1324 CD LYS A 87 2.602 13.979 -0.906 1.00 0.00 C ATOM 1325 CE LYS A 87 2.967 13.967 -2.398 1.00 0.00 C ATOM 1326 NZ LYS A 87 3.913 15.067 -2.736 1.00 0.00 N ATOM 0 H LYS A 87 -1.747 11.708 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.822 12.322 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.044 13.608 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.068 14.573 -0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.420 12.869 0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.620 12.062 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.335 14.994 -0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.478 13.697 -0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.415 13.008 -2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.061 14.067 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.139 15.031 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.475 15.983 -2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.786 14.956 -2.182 1.00 0.00 H new ATOM 1340 N ASP A 88 -2.755 13.994 0.725 1.00 0.00 N ATOM 1341 CA ASP A 88 -4.013 14.732 0.967 1.00 0.00 C ATOM 1342 C ASP A 88 -5.276 13.990 0.451 1.00 0.00 C ATOM 1343 O ASP A 88 -6.227 14.596 -0.048 1.00 0.00 O ATOM 1344 CB ASP A 88 -3.868 16.183 0.470 1.00 0.00 C ATOM 1345 CG ASP A 88 -4.984 17.117 0.978 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -5.312 17.076 2.189 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -5.496 17.942 0.182 1.00 0.00 O ATOM 0 H ASP A 88 -2.181 13.898 1.563 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.186 14.778 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.903 16.574 0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.868 16.188 -0.620 1.00 0.00 H new ATOM 1352 N GLY A 89 -5.256 12.652 0.511 1.00 0.00 N ATOM 1353 CA GLY A 89 -6.301 11.764 -0.018 1.00 0.00 C ATOM 1354 C GLY A 89 -6.409 11.684 -1.551 1.00 0.00 C ATOM 1355 O GLY A 89 -7.372 11.105 -2.055 1.00 0.00 O ATOM 0 H GLY A 89 -4.487 12.140 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.125 10.759 0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.262 12.092 0.377 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.447 12.234 -2.303 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.380 12.182 -3.773 1.00 0.00 C ATOM 1361 C GLN A 90 -4.195 11.311 -4.249 1.00 0.00 C ATOM 1362 O GLN A 90 -3.141 11.343 -3.608 1.00 0.00 O ATOM 1363 CB GLN A 90 -5.270 13.603 -4.350 1.00 0.00 C ATOM 1364 CG GLN A 90 -6.499 14.473 -4.027 1.00 0.00 C ATOM 1365 CD GLN A 90 -6.446 15.871 -4.653 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -5.519 16.262 -5.353 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -7.454 16.689 -4.429 1.00 0.00 N ATOM 0 H GLN A 90 -4.666 12.746 -1.892 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.299 11.723 -4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.376 14.083 -3.953 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.147 13.543 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.396 13.962 -4.376 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.589 14.572 -2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.237 16.387 -3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.451 17.625 -4.835 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.317 10.536 -5.348 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.233 9.690 -5.864 1.00 0.00 C ATOM 1378 C PRO A 91 -1.947 10.450 -6.235 1.00 0.00 C ATOM 1379 O PRO A 91 -1.991 11.567 -6.757 1.00 0.00 O ATOM 1380 CB PRO A 91 -3.811 8.974 -7.089 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.303 8.907 -6.777 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.549 10.240 -6.072 1.00 0.00 C ATOM 0 HA PRO A 91 -2.914 9.004 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.616 9.526 -8.008 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.380 7.981 -7.216 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.903 8.809 -7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.547 8.058 -6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.780 11.026 -6.791 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.397 10.172 -5.391 1.00 0.00 H new ATOM 1390 N VAL A 92 -0.798 9.804 -6.003 1.00 0.00 N ATOM 1391 CA VAL A 92 0.562 10.330 -6.248 1.00 0.00 C ATOM 1392 C VAL A 92 1.403 9.355 -7.084 1.00 0.00 C ATOM 1393 O VAL A 92 1.998 9.766 -8.083 1.00 0.00 O ATOM 1394 CB VAL A 92 1.260 10.652 -4.908 1.00 0.00 C ATOM 1395 CG1 VAL A 92 2.706 11.130 -5.095 1.00 0.00 C ATOM 1396 CG2 VAL A 92 0.521 11.755 -4.154 1.00 0.00 C ATOM 0 H VAL A 92 -0.784 8.858 -5.622 1.00 0.00 H new ATOM 0 HA VAL A 92 0.468 11.251 -6.823 1.00 0.00 H new ATOM 0 HB VAL A 92 1.253 9.717 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.148 11.342 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.284 10.353 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.714 12.035 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.035 11.961 -3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.500 12.660 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.499 11.433 -3.946 1.00 0.00 H new ATOM 1406 N LYS A 93 1.431 8.067 -6.710 1.00 0.00 N ATOM 1407 CA LYS A 93 2.177 6.987 -7.391 1.00 0.00 C ATOM 1408 C LYS A 93 1.381 5.677 -7.392 1.00 0.00 C ATOM 1409 O LYS A 93 0.650 5.398 -6.443 1.00 0.00 O ATOM 1410 CB LYS A 93 3.549 6.770 -6.709 1.00 0.00 C ATOM 1411 CG LYS A 93 4.701 7.605 -7.288 1.00 0.00 C ATOM 1412 CD LYS A 93 5.205 7.037 -8.624 1.00 0.00 C ATOM 1413 CE LYS A 93 6.464 7.785 -9.070 1.00 0.00 C ATOM 1414 NZ LYS A 93 7.018 7.208 -10.320 1.00 0.00 N ATOM 0 H LYS A 93 0.917 7.732 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 93 2.335 7.291 -8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.451 7.000 -5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.812 5.715 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.367 8.633 -7.433 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.523 7.635 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.422 5.974 -8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.429 7.129 -9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.228 8.838 -9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.215 7.740 -8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.851 7.756 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.296 6.220 -10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.296 7.243 -11.068 1.00 0.00 H new ATOM 1428 N ARG A 94 1.568 4.860 -8.432 1.00 0.00 N ATOM 1429 CA ARG A 94 1.051 3.483 -8.552 1.00 0.00 C ATOM 1430 C ARG A 94 2.135 2.541 -9.089 1.00 0.00 C ATOM 1431 O ARG A 94 2.813 2.871 -10.063 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.215 3.485 -9.428 1.00 0.00 C ATOM 1433 CG ARG A 94 -0.809 2.079 -9.615 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.114 2.141 -10.414 1.00 0.00 C ATOM 1435 NE ARG A 94 -2.564 0.787 -10.792 1.00 0.00 N ATOM 1436 CZ ARG A 94 -3.808 0.380 -10.962 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -4.836 1.160 -10.802 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -4.062 -0.851 -11.292 1.00 0.00 N ATOM 0 H ARG A 94 2.105 5.146 -9.250 1.00 0.00 H new ATOM 0 HA ARG A 94 0.775 3.107 -7.567 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.964 4.134 -8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.024 3.907 -10.404 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.091 1.442 -10.132 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.995 1.625 -8.641 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.885 2.633 -9.821 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.968 2.744 -11.310 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.834 0.090 -10.938 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.700 2.134 -10.533 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.779 0.797 -10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.297 -1.512 -11.422 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.027 -1.156 -11.421 1.00 0.00 H new ATOM 1452 N ILE A 95 2.278 1.374 -8.462 1.00 0.00 N ATOM 1453 CA ILE A 95 3.231 0.313 -8.818 1.00 0.00 C ATOM 1454 C ILE A 95 2.524 -1.039 -8.794 1.00 0.00 C ATOM 1455 O ILE A 95 1.691 -1.299 -7.930 1.00 0.00 O ATOM 1456 CB ILE A 95 4.476 0.315 -7.884 1.00 0.00 C ATOM 1457 CG1 ILE A 95 5.069 1.707 -7.539 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.591 -0.526 -8.526 1.00 0.00 C ATOM 1459 CD1 ILE A 95 4.434 2.392 -6.318 1.00 0.00 C ATOM 0 H ILE A 95 1.708 1.127 -7.653 1.00 0.00 H new ATOM 0 HA ILE A 95 3.597 0.505 -9.827 1.00 0.00 H new ATOM 0 HB ILE A 95 4.112 -0.097 -6.943 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.139 1.597 -7.361 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.955 2.360 -8.405 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.466 -0.528 -7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.241 -1.549 -8.666 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.858 -0.099 -9.492 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.912 3.358 -6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.369 2.539 -6.497 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.571 1.765 -5.437 1.00 0.00 H new ATOM 1471 N VAL A 96 2.854 -1.904 -9.752 1.00 0.00 N ATOM 1472 CA VAL A 96 2.235 -3.214 -9.942 1.00 0.00 C ATOM 1473 C VAL A 96 3.286 -4.321 -10.085 1.00 0.00 C ATOM 1474 O VAL A 96 4.368 -4.099 -10.637 1.00 0.00 O ATOM 1475 CB VAL A 96 1.269 -3.191 -11.133 1.00 0.00 C ATOM 1476 CG1 VAL A 96 -0.010 -2.411 -10.814 1.00 0.00 C ATOM 1477 CG2 VAL A 96 1.877 -2.643 -12.431 1.00 0.00 C ATOM 0 H VAL A 96 3.582 -1.706 -10.438 1.00 0.00 H new ATOM 0 HA VAL A 96 1.656 -3.443 -9.048 1.00 0.00 H new ATOM 0 HB VAL A 96 1.033 -4.241 -11.304 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.667 -2.419 -11.683 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.519 -2.877 -9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.245 -1.382 -10.561 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.126 -2.662 -13.221 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.210 -1.617 -12.272 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.727 -3.259 -12.723 1.00 0.00 H new ATOM 1487 N GLY A 97 2.984 -5.507 -9.555 1.00 0.00 N ATOM 1488 CA GLY A 97 3.934 -6.619 -9.415 1.00 0.00 C ATOM 1489 C GLY A 97 4.949 -6.411 -8.282 1.00 0.00 C ATOM 1490 O GLY A 97 5.176 -5.285 -7.830 1.00 0.00 O ATOM 0 H GLY A 97 2.053 -5.729 -9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.380 -7.540 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.471 -6.750 -10.355 1.00 0.00 H new ATOM 1494 N ALA A 98 5.590 -7.491 -7.829 1.00 0.00 N ATOM 1495 CA ALA A 98 6.573 -7.449 -6.740 1.00 0.00 C ATOM 1496 C ALA A 98 7.807 -6.581 -7.074 1.00 0.00 C ATOM 1497 O ALA A 98 8.170 -6.413 -8.245 1.00 0.00 O ATOM 1498 CB ALA A 98 6.967 -8.884 -6.369 1.00 0.00 C ATOM 0 H ALA A 98 5.442 -8.426 -8.209 1.00 0.00 H new ATOM 0 HA ALA A 98 6.110 -6.966 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.697 -8.863 -5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.082 -9.432 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.402 -9.378 -7.238 1.00 0.00 H new ATOM 1504 N LYS A 99 8.441 -6.014 -6.039 1.00 0.00 N ATOM 1505 CA LYS A 99 9.640 -5.155 -6.121 1.00 0.00 C ATOM 1506 C LYS A 99 10.663 -5.527 -5.043 1.00 0.00 C ATOM 1507 O LYS A 99 10.282 -5.985 -3.967 1.00 0.00 O ATOM 1508 CB LYS A 99 9.243 -3.667 -5.978 1.00 0.00 C ATOM 1509 CG LYS A 99 8.294 -3.126 -7.057 1.00 0.00 C ATOM 1510 CD LYS A 99 8.956 -3.059 -8.444 1.00 0.00 C ATOM 1511 CE LYS A 99 7.943 -2.912 -9.585 1.00 0.00 C ATOM 1512 NZ LYS A 99 7.054 -4.097 -9.696 1.00 0.00 N ATOM 0 H LYS A 99 8.122 -6.144 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 99 10.099 -5.313 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.774 -3.527 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.152 -3.065 -5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.410 -3.761 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.954 -2.130 -6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.648 -2.218 -8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.546 -3.962 -8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.339 -2.020 -9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.475 -2.768 -10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.191 -4.548 -10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.285 -4.776 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.063 -3.798 -9.599 1.00 0.00 H new ATOM 1526 N GLY A 100 11.946 -5.278 -5.316 1.00 0.00 N ATOM 1527 CA GLY A 100 13.013 -5.231 -4.311 1.00 0.00 C ATOM 1528 C GLY A 100 13.184 -3.820 -3.741 1.00 0.00 C ATOM 1529 O GLY A 100 12.672 -2.851 -4.307 1.00 0.00 O ATOM 0 H GLY A 100 12.280 -5.099 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.784 -5.926 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.951 -5.560 -4.759 1.00 0.00 H new ATOM 1533 N LYS A 101 13.927 -3.686 -2.636 1.00 0.00 N ATOM 1534 CA LYS A 101 14.159 -2.411 -1.915 1.00 0.00 C ATOM 1535 C LYS A 101 14.671 -1.281 -2.811 1.00 0.00 C ATOM 1536 O LYS A 101 14.259 -0.137 -2.641 1.00 0.00 O ATOM 1537 CB LYS A 101 15.121 -2.666 -0.731 1.00 0.00 C ATOM 1538 CG LYS A 101 14.748 -1.976 0.593 1.00 0.00 C ATOM 1539 CD LYS A 101 14.562 -0.455 0.505 1.00 0.00 C ATOM 1540 CE LYS A 101 14.341 0.158 1.892 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.588 0.179 2.702 1.00 0.00 N ATOM 0 H LYS A 101 14.400 -4.478 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 101 13.193 -2.066 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.176 -3.741 -0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.119 -2.339 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.825 -2.418 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.525 -2.190 1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.440 -0.005 0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.711 -0.227 -0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.964 1.175 1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.576 -0.410 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.399 0.632 3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.917 -0.795 2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.322 0.714 2.196 1.00 0.00 H new ATOM 1555 N ALA A 102 15.506 -1.601 -3.796 1.00 0.00 N ATOM 1556 CA ALA A 102 16.059 -0.612 -4.723 1.00 0.00 C ATOM 1557 C ALA A 102 14.976 -0.028 -5.651 1.00 0.00 C ATOM 1558 O ALA A 102 14.821 1.191 -5.741 1.00 0.00 O ATOM 1559 CB ALA A 102 17.210 -1.259 -5.506 1.00 0.00 C ATOM 0 H ALA A 102 15.820 -2.555 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 102 16.449 0.235 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.631 -0.532 -6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.983 -1.587 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.834 -2.117 -6.063 1.00 0.00 H new ATOM 1565 N ALA A 103 14.175 -0.885 -6.291 1.00 0.00 N ATOM 1566 CA ALA A 103 13.101 -0.459 -7.188 1.00 0.00 C ATOM 1567 C ALA A 103 11.935 0.191 -6.422 1.00 0.00 C ATOM 1568 O ALA A 103 11.456 1.260 -6.821 1.00 0.00 O ATOM 1569 CB ALA A 103 12.649 -1.671 -8.013 1.00 0.00 C ATOM 0 H ALA A 103 14.255 -1.898 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 103 13.474 0.314 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.847 -1.373 -8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.490 -2.050 -8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.288 -2.452 -7.344 1.00 0.00 H new ATOM 1575 N LEU A 104 11.523 -0.397 -5.286 1.00 0.00 N ATOM 1576 CA LEU A 104 10.462 0.179 -4.467 1.00 0.00 C ATOM 1577 C LEU A 104 10.883 1.547 -3.914 1.00 0.00 C ATOM 1578 O LEU A 104 10.112 2.497 -4.022 1.00 0.00 O ATOM 1579 CB LEU A 104 10.037 -0.808 -3.359 1.00 0.00 C ATOM 1580 CG LEU A 104 8.832 -0.321 -2.526 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.626 0.054 -3.390 1.00 0.00 C ATOM 1582 CD2 LEU A 104 8.375 -1.401 -1.547 1.00 0.00 C ATOM 0 H LEU A 104 11.911 -1.267 -4.922 1.00 0.00 H new ATOM 0 HA LEU A 104 9.585 0.351 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.790 -1.767 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.883 -0.980 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 104 9.182 0.566 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.810 0.389 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.904 0.856 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.304 -0.816 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.525 -1.034 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.081 -2.293 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.193 -1.648 -0.870 1.00 0.00 H new ATOM 1594 N LEU A 105 12.116 1.698 -3.407 1.00 0.00 N ATOM 1595 CA LEU A 105 12.577 3.014 -2.965 1.00 0.00 C ATOM 1596 C LEU A 105 12.853 3.976 -4.122 1.00 0.00 C ATOM 1597 O LEU A 105 12.707 5.158 -3.891 1.00 0.00 O ATOM 1598 CB LEU A 105 13.739 2.956 -1.958 1.00 0.00 C ATOM 1599 CG LEU A 105 13.987 4.309 -1.232 1.00 0.00 C ATOM 1600 CD1 LEU A 105 12.772 4.790 -0.435 1.00 0.00 C ATOM 1601 CD2 LEU A 105 15.138 4.135 -0.243 1.00 0.00 C ATOM 0 H LEU A 105 12.794 0.944 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 105 11.734 3.433 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.530 2.185 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.649 2.658 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 105 14.207 5.046 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.006 5.738 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.926 4.926 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.518 4.049 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.321 5.078 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.878 3.368 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 105 16.037 3.835 -0.781 1.00 0.00 H new ATOM 1613 N ARG A 106 13.158 3.581 -5.365 1.00 0.00 N ATOM 1614 CA ARG A 106 13.122 4.556 -6.484 1.00 0.00 C ATOM 1615 C ARG A 106 11.707 5.131 -6.664 1.00 0.00 C ATOM 1616 O ARG A 106 11.495 6.352 -6.573 1.00 0.00 O ATOM 1617 CB ARG A 106 13.655 3.916 -7.780 1.00 0.00 C ATOM 1618 CG ARG A 106 15.188 3.807 -7.815 1.00 0.00 C ATOM 1619 CD ARG A 106 15.855 5.162 -8.092 1.00 0.00 C ATOM 1620 NE ARG A 106 17.327 5.061 -8.094 1.00 0.00 N ATOM 1621 CZ ARG A 106 18.115 4.679 -9.081 1.00 0.00 C ATOM 1622 NH1 ARG A 106 17.667 4.301 -10.245 1.00 0.00 N ATOM 1623 NH2 ARG A 106 19.401 4.678 -8.892 1.00 0.00 N ATOM 0 H ARG A 106 13.424 2.631 -5.625 1.00 0.00 H new ATOM 0 HA ARG A 106 13.779 5.391 -6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.224 2.921 -7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.319 4.505 -8.633 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.545 3.415 -6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.483 3.094 -8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.516 5.543 -9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 106 15.542 5.882 -7.336 1.00 0.00 H new ATOM 0 HE ARG A 106 17.793 5.318 -7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.663 4.291 -10.427 1.00 0.00 H new ATOM 0 HH12 ARG A 106 18.320 4.015 -10.974 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.785 4.969 -7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 106 20.027 4.386 -9.643 1.00 0.00 H new ATOM 1637 N GLU A 107 10.725 4.239 -6.816 1.00 0.00 N ATOM 1638 CA GLU A 107 9.325 4.635 -7.031 1.00 0.00 C ATOM 1639 C GLU A 107 8.733 5.448 -5.866 1.00 0.00 C ATOM 1640 O GLU A 107 7.903 6.327 -6.101 1.00 0.00 O ATOM 1641 CB GLU A 107 8.460 3.403 -7.327 1.00 0.00 C ATOM 1642 CG GLU A 107 8.782 2.752 -8.682 1.00 0.00 C ATOM 1643 CD GLU A 107 8.666 3.713 -9.884 1.00 0.00 C ATOM 1644 OE1 GLU A 107 7.752 4.572 -9.906 1.00 0.00 O ATOM 1645 OE2 GLU A 107 9.498 3.621 -10.818 1.00 0.00 O ATOM 0 H GLU A 107 10.872 3.230 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 107 9.321 5.298 -7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.602 2.668 -6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.409 3.692 -7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.794 2.349 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.109 1.909 -8.838 1.00 0.00 H new ATOM 1652 N LEU A 108 9.192 5.215 -4.630 1.00 0.00 N ATOM 1653 CA LEU A 108 8.791 5.985 -3.446 1.00 0.00 C ATOM 1654 C LEU A 108 9.679 7.200 -3.164 1.00 0.00 C ATOM 1655 O LEU A 108 9.156 8.200 -2.690 1.00 0.00 O ATOM 1656 CB LEU A 108 8.759 5.069 -2.220 1.00 0.00 C ATOM 1657 CG LEU A 108 7.734 3.929 -2.318 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.944 3.030 -1.107 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.285 4.421 -2.333 1.00 0.00 C ATOM 0 H LEU A 108 9.862 4.475 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 108 7.797 6.378 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.751 4.641 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.537 5.668 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 108 7.891 3.404 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.233 2.205 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.960 2.634 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.790 3.607 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.611 3.567 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.078 4.971 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.132 5.076 -3.191 1.00 0.00 H new ATOM 1671 N SER A 109 10.977 7.163 -3.480 1.00 0.00 N ATOM 1672 CA SER A 109 11.929 8.289 -3.354 1.00 0.00 C ATOM 1673 C SER A 109 11.674 9.383 -4.395 1.00 0.00 C ATOM 1674 O SER A 109 12.119 10.518 -4.229 1.00 0.00 O ATOM 1675 CB SER A 109 13.394 7.851 -3.350 1.00 0.00 C ATOM 1676 OG SER A 109 14.225 8.905 -2.902 1.00 0.00 O ATOM 0 H SER A 109 11.418 6.319 -3.845 1.00 0.00 H new ATOM 0 HA SER A 109 11.738 8.719 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.518 6.982 -2.704 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.692 7.547 -4.354 1.00 0.00 H new ATOM 0 HG SER A 109 13.778 9.763 -3.059 1.00 0.00 H new ATOM 1682 N ASP A 110 10.825 9.109 -5.395 1.00 0.00 N ATOM 1683 CA ASP A 110 10.075 10.176 -6.085 1.00 0.00 C ATOM 1684 C ASP A 110 9.408 11.186 -5.104 1.00 0.00 C ATOM 1685 O ASP A 110 9.253 12.363 -5.435 1.00 0.00 O ATOM 1686 CB ASP A 110 9.017 9.526 -6.983 1.00 0.00 C ATOM 1687 CG ASP A 110 8.359 10.551 -7.921 1.00 0.00 C ATOM 1688 OD1 ASP A 110 9.034 11.019 -8.869 1.00 0.00 O ATOM 1689 OD2 ASP A 110 7.158 10.857 -7.740 1.00 0.00 O ATOM 0 H ASP A 110 10.639 8.169 -5.744 1.00 0.00 H new ATOM 0 HA ASP A 110 10.783 10.755 -6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.478 8.735 -7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.253 9.057 -6.364 1.00 0.00 H new ATOM 1694 N VAL A 111 9.077 10.741 -3.881 1.00 0.00 N ATOM 1695 CA VAL A 111 8.542 11.509 -2.751 1.00 0.00 C ATOM 1696 C VAL A 111 9.482 11.487 -1.522 1.00 0.00 C ATOM 1697 O VAL A 111 9.778 12.547 -0.970 1.00 0.00 O ATOM 1698 CB VAL A 111 7.158 10.937 -2.384 1.00 0.00 C ATOM 1699 CG1 VAL A 111 6.456 11.803 -1.338 1.00 0.00 C ATOM 1700 CG2 VAL A 111 6.216 10.881 -3.598 1.00 0.00 C ATOM 0 H VAL A 111 9.186 9.756 -3.640 1.00 0.00 H new ATOM 0 HA VAL A 111 8.456 12.553 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 111 7.352 9.935 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.483 11.372 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.063 11.845 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.320 12.810 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.253 10.472 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.074 11.886 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.653 10.245 -4.368 1.00 0.00 H new ATOM 1710 N VAL A 112 9.958 10.307 -1.082 1.00 0.00 N ATOM 1711 CA VAL A 112 10.691 10.087 0.187 1.00 0.00 C ATOM 1712 C VAL A 112 11.871 9.100 0.057 1.00 0.00 C ATOM 1713 O VAL A 112 11.628 7.928 -0.239 1.00 0.00 O ATOM 1714 CB VAL A 112 9.777 9.502 1.280 1.00 0.00 C ATOM 1715 CG1 VAL A 112 10.494 9.442 2.635 1.00 0.00 C ATOM 1716 CG2 VAL A 112 8.478 10.287 1.483 1.00 0.00 C ATOM 0 H VAL A 112 9.840 9.447 -1.617 1.00 0.00 H new ATOM 0 HA VAL A 112 11.060 11.078 0.450 1.00 0.00 H new ATOM 0 HB VAL A 112 9.528 8.503 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 112 9.821 9.024 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.379 8.812 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.791 10.447 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.887 9.815 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.713 11.311 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 112 7.908 10.294 0.554 1.00 0.00 H new