USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 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 124 TYR OH : rot 37:sc= 1.39 USER MOD Set 1.2: A 128 TYR OH : rot -139:sc= 0.208 USER MOD Set 1.3: A 168 HIS : no HD1:sc= -2.64! C(o=-1!,f=-10!) USER MOD Set 2.1: A 119 HIS : no HE2:sc= -2.31! K(o=-4!,f=-2) USER MOD Set 2.2: A 120 HIS : no HE2:sc= -0.334 K(o=-4,f=-8.4!) USER MOD Set 2.3: A 171 ASN : amide:sc= -1.37 K(o=-4,f=-2) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -134:sc= -0.381 (180deg=-1.92) USER MOD Single : A 127 GLN : amide:sc= 1.13 K(o=1.1,f=-0.03) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl 152:sc= -0.21 (180deg=-0.654) USER MOD Single : A 152 THR OG1 : rot -129:sc= -2.98! USER MOD Single : A 156 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.25) USER MOD Single : A 158 SER OG : rot 150:sc= -0.66 USER MOD Single : A 161 LYS NZ :NH3+ 159:sc= 1.32 (180deg=0.251) USER MOD Single : A 165 GLN : amide:sc= -0.0336 X(o=-0.034,f=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 173 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 174 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.1) USER MOD Single : A 175 CYS SG : rot -31:sc= 0.0938 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot 108:sc= 1.21 USER MOD Single : A 183 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00362) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 MET CE :methyl -161:sc= -0.117 (180deg=-0.75) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.108 -13.962 5.282 1.00 5.01 N ATOM 137 CA VAL A 104 19.870 -13.942 4.523 1.00 2.34 C ATOM 138 C VAL A 104 20.169 -14.280 3.064 1.00 33.54 C ATOM 139 O VAL A 104 21.247 -13.971 2.562 1.00 14.45 O ATOM 140 CB VAL A 104 19.160 -12.567 4.629 1.00 12.33 C ATOM 141 CG1 VAL A 104 19.821 -11.520 3.744 1.00 63.12 C ATOM 142 CG2 VAL A 104 17.683 -12.690 4.301 1.00 30.23 C ATOM 0 HA VAL A 104 19.194 -14.688 4.940 1.00 2.34 H new ATOM 0 HB VAL A 104 19.257 -12.233 5.662 1.00 12.33 H new ATOM 0 HG11 VAL A 104 19.294 -10.571 3.847 1.00 63.12 H new ATOM 0 HG12 VAL A 104 20.861 -11.392 4.046 1.00 63.12 H new ATOM 0 HG13 VAL A 104 19.782 -11.845 2.704 1.00 63.12 H new ATOM 0 HG21 VAL A 104 17.209 -11.712 4.383 1.00 30.23 H new ATOM 0 HG22 VAL A 104 17.566 -13.066 3.285 1.00 30.23 H new ATOM 0 HG23 VAL A 104 17.211 -13.381 5.000 1.00 30.23 H new ATOM 152 N LYS A 105 19.238 -14.936 2.397 1.00 44.24 N ATOM 153 CA LYS A 105 19.437 -15.330 1.008 1.00 55.05 C ATOM 154 C LYS A 105 18.380 -14.701 0.115 1.00 43.11 C ATOM 155 O LYS A 105 18.150 -15.138 -1.011 1.00 41.42 O ATOM 156 CB LYS A 105 19.425 -16.854 0.897 1.00 30.00 C ATOM 157 CG LYS A 105 20.710 -17.489 1.400 1.00 63.31 C ATOM 158 CD LYS A 105 20.464 -18.836 2.058 1.00 13.10 C ATOM 159 CE LYS A 105 19.625 -18.690 3.320 1.00 62.40 C ATOM 160 NZ LYS A 105 19.729 -19.882 4.200 1.00 51.10 N ATOM 0 H LYS A 105 18.337 -15.208 2.790 1.00 44.24 H new ATOM 0 HA LYS A 105 20.408 -14.968 0.669 1.00 55.05 H new ATOM 0 HB2 LYS A 105 18.583 -17.249 1.465 1.00 30.00 H new ATOM 0 HB3 LYS A 105 19.268 -17.137 -0.144 1.00 30.00 H new ATOM 0 HG2 LYS A 105 21.402 -17.614 0.567 1.00 63.31 H new ATOM 0 HG3 LYS A 105 21.189 -16.819 2.114 1.00 63.31 H new ATOM 0 HD2 LYS A 105 19.957 -19.499 1.356 1.00 13.10 H new ATOM 0 HD3 LYS A 105 21.418 -19.302 2.305 1.00 13.10 H new ATOM 0 HE2 LYS A 105 19.947 -17.805 3.869 1.00 62.40 H new ATOM 0 HE3 LYS A 105 18.582 -18.532 3.045 1.00 62.40 H new ATOM 0 HZ1 LYS A 105 19.143 -19.740 5.047 1.00 51.10 H new ATOM 0 HZ2 LYS A 105 19.397 -20.723 3.686 1.00 51.10 H new ATOM 0 HZ3 LYS A 105 20.720 -20.018 4.484 1.00 51.10 H new ATOM 174 N LYS A 106 17.760 -13.651 0.626 1.00 4.53 N ATOM 175 CA LYS A 106 16.754 -12.911 -0.111 1.00 72.24 C ATOM 176 C LYS A 106 16.629 -11.508 0.464 1.00 14.33 C ATOM 177 O LYS A 106 16.677 -11.321 1.680 1.00 74.22 O ATOM 178 CB LYS A 106 15.408 -13.644 -0.066 1.00 71.33 C ATOM 179 CG LYS A 106 14.253 -12.858 -0.667 1.00 4.33 C ATOM 180 CD LYS A 106 13.064 -13.744 -1.024 1.00 13.54 C ATOM 181 CE LYS A 106 12.427 -14.403 0.191 1.00 61.51 C ATOM 182 NZ LYS A 106 13.169 -15.606 0.651 1.00 73.43 N ATOM 0 H LYS A 106 17.941 -13.289 1.562 1.00 4.53 H new ATOM 0 HA LYS A 106 17.058 -12.836 -1.155 1.00 72.24 H new ATOM 0 HB2 LYS A 106 15.504 -14.591 -0.597 1.00 71.33 H new ATOM 0 HB3 LYS A 106 15.171 -13.882 0.971 1.00 71.33 H new ATOM 0 HG2 LYS A 106 13.932 -12.093 0.040 1.00 4.33 H new ATOM 0 HG3 LYS A 106 14.597 -12.340 -1.562 1.00 4.33 H new ATOM 0 HD2 LYS A 106 12.314 -13.145 -1.541 1.00 13.54 H new ATOM 0 HD3 LYS A 106 13.390 -14.517 -1.720 1.00 13.54 H new ATOM 0 HE2 LYS A 106 12.376 -13.680 1.005 1.00 61.51 H new ATOM 0 HE3 LYS A 106 11.402 -14.684 -0.050 1.00 61.51 H new ATOM 0 HZ1 LYS A 106 12.498 -16.379 0.835 1.00 73.43 H new ATOM 0 HZ2 LYS A 106 13.843 -15.900 -0.084 1.00 73.43 H new ATOM 0 HZ3 LYS A 106 13.686 -15.382 1.525 1.00 73.43 H new ATOM 196 N ILE A 107 16.496 -10.521 -0.404 1.00 20.12 N ATOM 197 CA ILE A 107 16.378 -9.143 0.041 1.00 64.51 C ATOM 198 C ILE A 107 14.957 -8.637 -0.136 1.00 3.13 C ATOM 199 O ILE A 107 14.151 -9.239 -0.848 1.00 64.41 O ATOM 200 CB ILE A 107 17.324 -8.204 -0.719 1.00 2.24 C ATOM 201 CG1 ILE A 107 16.884 -8.087 -2.171 1.00 14.22 C ATOM 202 CG2 ILE A 107 18.760 -8.700 -0.626 1.00 31.02 C ATOM 203 CD1 ILE A 107 17.416 -6.853 -2.835 1.00 62.22 C ATOM 0 H ILE A 107 16.467 -10.646 -1.416 1.00 20.12 H new ATOM 0 HA ILE A 107 16.651 -9.139 1.096 1.00 64.51 H new ATOM 0 HB ILE A 107 17.281 -7.215 -0.262 1.00 2.24 H new ATOM 0 HG12 ILE A 107 17.221 -8.966 -2.721 1.00 14.22 H new ATOM 0 HG13 ILE A 107 15.795 -8.080 -2.218 1.00 14.22 H new ATOM 0 HG21 ILE A 107 19.416 -8.021 -1.171 1.00 31.02 H new ATOM 0 HG22 ILE A 107 19.065 -8.737 0.420 1.00 31.02 H new ATOM 0 HG23 ILE A 107 18.829 -9.697 -1.060 1.00 31.02 H new ATOM 0 HD11 ILE A 107 17.072 -6.819 -3.869 1.00 62.22 H new ATOM 0 HD12 ILE A 107 17.058 -5.971 -2.304 1.00 62.22 H new ATOM 0 HD13 ILE A 107 18.506 -6.870 -2.816 1.00 62.22 H new ATOM 215 N PHE A 108 14.667 -7.521 0.505 1.00 31.21 N ATOM 216 CA PHE A 108 13.361 -6.896 0.421 1.00 14.41 C ATOM 217 C PHE A 108 13.476 -5.551 -0.275 1.00 41.32 C ATOM 218 O PHE A 108 14.145 -4.652 0.219 1.00 73.34 O ATOM 219 CB PHE A 108 12.771 -6.717 1.825 1.00 13.10 C ATOM 220 CG PHE A 108 11.613 -5.763 1.878 1.00 11.24 C ATOM 221 CD1 PHE A 108 10.377 -6.120 1.373 1.00 13.25 C ATOM 222 CD2 PHE A 108 11.768 -4.501 2.432 1.00 33.23 C ATOM 223 CE1 PHE A 108 9.317 -5.239 1.418 1.00 35.20 C ATOM 224 CE2 PHE A 108 10.711 -3.616 2.480 1.00 45.33 C ATOM 225 CZ PHE A 108 9.485 -3.985 1.972 1.00 73.11 C ATOM 0 H PHE A 108 15.330 -7.022 1.098 1.00 31.21 H new ATOM 0 HA PHE A 108 12.697 -7.538 -0.158 1.00 14.41 H new ATOM 0 HB2 PHE A 108 12.447 -7.688 2.200 1.00 13.10 H new ATOM 0 HB3 PHE A 108 13.554 -6.362 2.495 1.00 13.10 H new ATOM 0 HD1 PHE A 108 10.240 -7.099 0.939 1.00 13.25 H new ATOM 0 HD2 PHE A 108 12.728 -4.208 2.831 1.00 33.23 H new ATOM 0 HE1 PHE A 108 8.356 -5.529 1.020 1.00 35.20 H new ATOM 0 HE2 PHE A 108 10.844 -2.636 2.915 1.00 45.33 H new ATOM 0 HZ PHE A 108 8.656 -3.294 2.007 1.00 73.11 H new ATOM 235 N VAL A 109 12.841 -5.424 -1.427 1.00 61.11 N ATOM 236 CA VAL A 109 12.833 -4.165 -2.153 1.00 41.03 C ATOM 237 C VAL A 109 11.478 -3.489 -2.007 1.00 64.10 C ATOM 238 O VAL A 109 10.468 -3.983 -2.513 1.00 5.44 O ATOM 239 CB VAL A 109 13.147 -4.366 -3.650 1.00 10.12 C ATOM 240 CG1 VAL A 109 13.225 -3.029 -4.372 1.00 24.41 C ATOM 241 CG2 VAL A 109 14.440 -5.142 -3.820 1.00 25.14 C ATOM 0 H VAL A 109 12.324 -6.177 -1.880 1.00 61.11 H new ATOM 0 HA VAL A 109 13.612 -3.534 -1.725 1.00 41.03 H new ATOM 0 HB VAL A 109 12.336 -4.943 -4.095 1.00 10.12 H new ATOM 0 HG11 VAL A 109 13.447 -3.197 -5.426 1.00 24.41 H new ATOM 0 HG12 VAL A 109 12.271 -2.510 -4.281 1.00 24.41 H new ATOM 0 HG13 VAL A 109 14.013 -2.421 -3.927 1.00 24.41 H new ATOM 0 HG21 VAL A 109 14.647 -5.275 -4.882 1.00 25.14 H new ATOM 0 HG22 VAL A 109 15.259 -4.591 -3.357 1.00 25.14 H new ATOM 0 HG23 VAL A 109 14.344 -6.118 -3.344 1.00 25.14 H new ATOM 251 N GLY A 110 11.456 -2.371 -1.301 1.00 34.24 N ATOM 252 CA GLY A 110 10.216 -1.667 -1.078 1.00 74.10 C ATOM 253 C GLY A 110 10.274 -0.233 -1.555 1.00 31.12 C ATOM 254 O GLY A 110 11.352 0.354 -1.663 1.00 1.32 O ATOM 0 H GLY A 110 12.277 -1.939 -0.878 1.00 34.24 H new ATOM 0 HA2 GLY A 110 9.408 -2.186 -1.594 1.00 74.10 H new ATOM 0 HA3 GLY A 110 9.978 -1.684 -0.015 1.00 74.10 H new ATOM 347 N GLU A 117 9.324 -4.418 -12.232 1.00 41.44 N ATOM 348 CA GLU A 117 8.967 -5.826 -12.164 1.00 44.25 C ATOM 349 C GLU A 117 10.220 -6.684 -11.948 1.00 54.13 C ATOM 350 O GLU A 117 11.286 -6.154 -11.630 1.00 63.31 O ATOM 351 CB GLU A 117 8.245 -6.233 -13.449 1.00 44.54 C ATOM 352 CG GLU A 117 9.151 -6.348 -14.657 1.00 4.13 C ATOM 353 CD GLU A 117 8.388 -6.679 -15.920 1.00 34.43 C ATOM 354 OE1 GLU A 117 8.209 -7.880 -16.210 1.00 3.44 O ATOM 355 OE2 GLU A 117 7.957 -5.744 -16.621 1.00 3.01 O ATOM 0 HA GLU A 117 8.298 -5.988 -11.319 1.00 44.25 H new ATOM 0 HB2 GLU A 117 7.750 -7.190 -13.287 1.00 44.54 H new ATOM 0 HB3 GLU A 117 7.465 -5.502 -13.662 1.00 44.54 H new ATOM 0 HG2 GLU A 117 9.688 -5.410 -14.796 1.00 4.13 H new ATOM 0 HG3 GLU A 117 9.899 -7.120 -14.475 1.00 4.13 H new ATOM 362 N GLU A 118 10.091 -7.999 -12.142 1.00 22.43 N ATOM 363 CA GLU A 118 11.181 -8.940 -11.875 1.00 1.45 C ATOM 364 C GLU A 118 12.461 -8.573 -12.618 1.00 1.30 C ATOM 365 O GLU A 118 13.530 -8.503 -12.010 1.00 55.30 O ATOM 366 CB GLU A 118 10.756 -10.374 -12.230 1.00 63.13 C ATOM 367 CG GLU A 118 11.910 -11.296 -12.607 1.00 35.05 C ATOM 368 CD GLU A 118 11.454 -12.698 -12.950 1.00 54.22 C ATOM 369 OE1 GLU A 118 10.558 -12.839 -13.811 1.00 15.52 O ATOM 370 OE2 GLU A 118 12.005 -13.665 -12.377 1.00 2.44 O ATOM 0 H GLU A 118 9.237 -8.438 -12.485 1.00 22.43 H new ATOM 0 HA GLU A 118 11.396 -8.881 -10.808 1.00 1.45 H new ATOM 0 HB2 GLU A 118 10.226 -10.804 -11.380 1.00 63.13 H new ATOM 0 HB3 GLU A 118 10.051 -10.336 -13.060 1.00 63.13 H new ATOM 0 HG2 GLU A 118 12.443 -10.874 -13.459 1.00 35.05 H new ATOM 0 HG3 GLU A 118 12.618 -11.342 -11.779 1.00 35.05 H new ATOM 377 N HIS A 119 12.356 -8.326 -13.918 1.00 64.23 N ATOM 378 CA HIS A 119 13.543 -8.095 -14.732 1.00 31.20 C ATOM 379 C HIS A 119 14.250 -6.813 -14.302 1.00 14.23 C ATOM 380 O HIS A 119 15.465 -6.705 -14.416 1.00 1.52 O ATOM 381 CB HIS A 119 13.198 -8.063 -16.231 1.00 14.53 C ATOM 382 CG HIS A 119 12.828 -6.715 -16.779 1.00 61.22 C ATOM 383 ND1 HIS A 119 13.743 -5.951 -17.458 1.00 11.22 N ATOM 384 CD2 HIS A 119 11.646 -6.063 -16.746 1.00 34.45 C ATOM 385 CE1 HIS A 119 13.099 -4.857 -17.823 1.00 21.42 C ATOM 386 NE2 HIS A 119 11.822 -4.882 -17.416 1.00 73.24 N ATOM 0 H HIS A 119 11.473 -8.281 -14.426 1.00 64.23 H new ATOM 0 HA HIS A 119 14.226 -8.929 -14.573 1.00 31.20 H new ATOM 0 HB2 HIS A 119 14.053 -8.442 -16.791 1.00 14.53 H new ATOM 0 HB3 HIS A 119 12.370 -8.749 -16.410 1.00 14.53 H new ATOM 0 HD1 HIS A 119 14.719 -6.180 -17.643 1.00 11.22 H new ATOM 0 HD2 HIS A 119 10.735 -6.408 -16.280 1.00 34.45 H new ATOM 0 HE1 HIS A 119 13.545 -4.045 -18.379 1.00 21.42 H new ATOM 394 N HIS A 120 13.484 -5.862 -13.782 1.00 4.25 N ATOM 395 CA HIS A 120 14.046 -4.601 -13.326 1.00 21.53 C ATOM 396 C HIS A 120 14.970 -4.821 -12.134 1.00 11.24 C ATOM 397 O HIS A 120 16.120 -4.378 -12.132 1.00 45.32 O ATOM 398 CB HIS A 120 12.937 -3.620 -12.947 1.00 32.11 C ATOM 399 CG HIS A 120 12.193 -3.082 -14.123 1.00 42.42 C ATOM 400 ND1 HIS A 120 10.882 -3.405 -14.342 1.00 33.13 N ATOM 401 CD2 HIS A 120 12.614 -2.245 -15.098 1.00 73.35 C ATOM 402 CE1 HIS A 120 10.531 -2.763 -15.440 1.00 65.31 C ATOM 403 NE2 HIS A 120 11.548 -2.047 -15.934 1.00 31.34 N ATOM 0 H HIS A 120 12.474 -5.942 -13.666 1.00 4.25 H new ATOM 0 HA HIS A 120 14.625 -4.178 -14.146 1.00 21.53 H new ATOM 0 HB2 HIS A 120 12.234 -4.118 -12.279 1.00 32.11 H new ATOM 0 HB3 HIS A 120 13.372 -2.789 -12.391 1.00 32.11 H new ATOM 0 HD1 HIS A 120 10.296 -4.016 -13.773 1.00 33.13 H new ATOM 0 HD2 HIS A 120 13.600 -1.816 -15.198 1.00 73.35 H new ATOM 0 HE1 HIS A 120 9.548 -2.809 -15.884 1.00 65.31 H new ATOM 411 N LEU A 121 14.454 -5.504 -11.118 1.00 34.14 N ATOM 412 CA LEU A 121 15.240 -5.814 -9.930 1.00 14.23 C ATOM 413 C LEU A 121 16.382 -6.758 -10.280 1.00 1.20 C ATOM 414 O LEU A 121 17.526 -6.532 -9.893 1.00 32.54 O ATOM 415 CB LEU A 121 14.369 -6.437 -8.829 1.00 2.11 C ATOM 416 CG LEU A 121 13.434 -5.468 -8.091 1.00 22.22 C ATOM 417 CD1 LEU A 121 12.344 -4.954 -9.004 1.00 33.01 C ATOM 418 CD2 LEU A 121 12.811 -6.135 -6.883 1.00 23.30 C ATOM 0 H LEU A 121 13.496 -5.853 -11.093 1.00 34.14 H new ATOM 0 HA LEU A 121 15.650 -4.877 -9.552 1.00 14.23 H new ATOM 0 HB2 LEU A 121 13.765 -7.228 -9.273 1.00 2.11 H new ATOM 0 HB3 LEU A 121 15.024 -6.909 -8.097 1.00 2.11 H new ATOM 0 HG LEU A 121 14.038 -4.623 -7.760 1.00 22.22 H new ATOM 0 HD11 LEU A 121 11.699 -4.271 -8.452 1.00 33.01 H new ATOM 0 HD12 LEU A 121 12.793 -4.428 -9.847 1.00 33.01 H new ATOM 0 HD13 LEU A 121 11.753 -5.792 -9.373 1.00 33.01 H new ATOM 0 HD21 LEU A 121 12.153 -5.429 -6.377 1.00 23.30 H new ATOM 0 HD22 LEU A 121 12.234 -7.003 -7.203 1.00 23.30 H new ATOM 0 HD23 LEU A 121 13.597 -6.454 -6.198 1.00 23.30 H new ATOM 430 N ARG A 122 16.065 -7.804 -11.029 1.00 75.45 N ATOM 431 CA ARG A 122 17.054 -8.793 -11.429 1.00 65.25 C ATOM 432 C ARG A 122 18.204 -8.148 -12.197 1.00 33.40 C ATOM 433 O ARG A 122 19.361 -8.379 -11.873 1.00 12.14 O ATOM 434 CB ARG A 122 16.394 -9.893 -12.266 1.00 4.00 C ATOM 435 CG ARG A 122 17.383 -10.819 -12.957 1.00 54.33 C ATOM 436 CD ARG A 122 17.225 -12.256 -12.490 1.00 33.41 C ATOM 437 NE ARG A 122 15.872 -12.769 -12.723 1.00 14.34 N ATOM 438 CZ ARG A 122 15.582 -13.745 -13.586 1.00 32.24 C ATOM 439 NH1 ARG A 122 16.527 -14.260 -14.360 1.00 34.04 N ATOM 440 NH2 ARG A 122 14.339 -14.197 -13.692 1.00 55.23 N ATOM 0 H ARG A 122 15.123 -7.990 -11.374 1.00 75.45 H new ATOM 0 HA ARG A 122 17.470 -9.241 -10.526 1.00 65.25 H new ATOM 0 HB2 ARG A 122 15.745 -10.486 -11.622 1.00 4.00 H new ATOM 0 HB3 ARG A 122 15.757 -9.430 -13.020 1.00 4.00 H new ATOM 0 HG2 ARG A 122 17.237 -10.768 -14.036 1.00 54.33 H new ATOM 0 HG3 ARG A 122 18.400 -10.481 -12.757 1.00 54.33 H new ATOM 0 HD2 ARG A 122 17.945 -12.887 -13.011 1.00 33.41 H new ATOM 0 HD3 ARG A 122 17.457 -12.318 -11.427 1.00 33.41 H new ATOM 0 HE ARG A 122 15.105 -12.355 -12.193 1.00 14.34 H new ATOM 0 HH11 ARG A 122 17.483 -13.911 -14.298 1.00 34.04 H new ATOM 0 HH12 ARG A 122 16.298 -15.006 -15.017 1.00 34.04 H new ATOM 0 HH21 ARG A 122 13.600 -13.798 -13.113 1.00 55.23 H new ATOM 0 HH22 ARG A 122 14.122 -14.943 -14.353 1.00 55.23 H new ATOM 454 N ASP A 123 17.882 -7.318 -13.186 1.00 1.11 N ATOM 455 CA ASP A 123 18.901 -6.652 -14.004 1.00 43.31 C ATOM 456 C ASP A 123 19.835 -5.809 -13.140 1.00 4.02 C ATOM 457 O ASP A 123 21.017 -5.655 -13.445 1.00 33.50 O ATOM 458 CB ASP A 123 18.233 -5.766 -15.060 1.00 11.30 C ATOM 459 CG ASP A 123 19.228 -5.124 -16.006 1.00 31.20 C ATOM 460 OD1 ASP A 123 19.594 -5.770 -17.012 1.00 32.23 O ATOM 461 OD2 ASP A 123 19.633 -3.967 -15.758 1.00 14.10 O ATOM 0 H ASP A 123 16.922 -7.088 -13.443 1.00 1.11 H new ATOM 0 HA ASP A 123 19.492 -7.423 -14.499 1.00 43.31 H new ATOM 0 HB2 ASP A 123 17.527 -6.365 -15.635 1.00 11.30 H new ATOM 0 HB3 ASP A 123 17.658 -4.986 -14.561 1.00 11.30 H new ATOM 466 N TYR A 124 19.299 -5.283 -12.051 1.00 54.43 N ATOM 467 CA TYR A 124 20.060 -4.431 -11.153 1.00 20.23 C ATOM 468 C TYR A 124 20.869 -5.258 -10.154 1.00 5.12 C ATOM 469 O TYR A 124 22.035 -4.966 -9.895 1.00 55.03 O ATOM 470 CB TYR A 124 19.103 -3.479 -10.426 1.00 2.43 C ATOM 471 CG TYR A 124 19.740 -2.621 -9.354 1.00 54.50 C ATOM 472 CD1 TYR A 124 19.245 -2.635 -8.059 1.00 23.10 C ATOM 473 CD2 TYR A 124 20.822 -1.794 -9.633 1.00 24.23 C ATOM 474 CE1 TYR A 124 19.805 -1.853 -7.071 1.00 4.14 C ATOM 475 CE2 TYR A 124 21.391 -1.008 -8.647 1.00 70.22 C ATOM 476 CZ TYR A 124 20.876 -1.041 -7.367 1.00 20.05 C ATOM 477 OH TYR A 124 21.433 -0.260 -6.376 1.00 4.04 O ATOM 0 H TYR A 124 18.331 -5.433 -11.766 1.00 54.43 H new ATOM 0 HA TYR A 124 20.771 -3.849 -11.739 1.00 20.23 H new ATOM 0 HB2 TYR A 124 18.637 -2.825 -11.163 1.00 2.43 H new ATOM 0 HB3 TYR A 124 18.306 -4.067 -9.972 1.00 2.43 H new ATOM 0 HD1 TYR A 124 18.405 -3.270 -7.820 1.00 23.10 H new ATOM 0 HD2 TYR A 124 21.225 -1.765 -10.635 1.00 24.23 H new ATOM 0 HE1 TYR A 124 19.405 -1.878 -6.068 1.00 4.14 H new ATOM 0 HE2 TYR A 124 22.233 -0.372 -8.878 1.00 70.22 H new ATOM 0 HH TYR A 124 21.416 -0.748 -5.526 1.00 4.04 H new ATOM 487 N PHE A 125 20.265 -6.305 -9.616 1.00 52.45 N ATOM 488 CA PHE A 125 20.893 -7.079 -8.549 1.00 42.11 C ATOM 489 C PHE A 125 21.776 -8.208 -9.082 1.00 63.34 C ATOM 490 O PHE A 125 22.610 -8.740 -8.348 1.00 25.41 O ATOM 491 CB PHE A 125 19.828 -7.634 -7.601 1.00 32.43 C ATOM 492 CG PHE A 125 19.128 -6.565 -6.807 1.00 1.34 C ATOM 493 CD1 PHE A 125 17.757 -6.393 -6.903 1.00 43.31 C ATOM 494 CD2 PHE A 125 19.848 -5.724 -5.977 1.00 41.42 C ATOM 495 CE1 PHE A 125 17.118 -5.399 -6.185 1.00 12.23 C ATOM 496 CE2 PHE A 125 19.216 -4.732 -5.254 1.00 22.03 C ATOM 497 CZ PHE A 125 17.850 -4.568 -5.359 1.00 31.23 C ATOM 0 H PHE A 125 19.344 -6.640 -9.897 1.00 52.45 H new ATOM 0 HA PHE A 125 21.546 -6.399 -8.002 1.00 42.11 H new ATOM 0 HB2 PHE A 125 19.090 -8.190 -8.179 1.00 32.43 H new ATOM 0 HB3 PHE A 125 20.294 -8.341 -6.915 1.00 32.43 H new ATOM 0 HD1 PHE A 125 17.181 -7.042 -7.546 1.00 43.31 H new ATOM 0 HD2 PHE A 125 20.918 -5.845 -5.894 1.00 41.42 H new ATOM 0 HE1 PHE A 125 16.049 -5.272 -6.270 1.00 12.23 H new ATOM 0 HE2 PHE A 125 19.790 -4.085 -4.607 1.00 22.03 H new ATOM 0 HZ PHE A 125 17.354 -3.791 -4.796 1.00 31.23 H new ATOM 507 N GLU A 126 21.614 -8.567 -10.353 1.00 3.22 N ATOM 508 CA GLU A 126 22.422 -9.637 -10.948 1.00 64.43 C ATOM 509 C GLU A 126 23.890 -9.233 -11.020 1.00 5.24 C ATOM 510 O GLU A 126 24.780 -10.081 -11.087 1.00 12.31 O ATOM 511 CB GLU A 126 21.899 -10.012 -12.340 1.00 31.31 C ATOM 512 CG GLU A 126 21.984 -8.900 -13.378 1.00 34.31 C ATOM 513 CD GLU A 126 23.207 -9.013 -14.268 1.00 44.23 C ATOM 514 OE1 GLU A 126 24.135 -8.191 -14.126 1.00 22.41 O ATOM 515 OE2 GLU A 126 23.236 -9.913 -15.131 1.00 50.12 O ATOM 0 H GLU A 126 20.939 -8.140 -10.988 1.00 3.22 H new ATOM 0 HA GLU A 126 22.339 -10.514 -10.306 1.00 64.43 H new ATOM 0 HB2 GLU A 126 22.461 -10.872 -12.704 1.00 31.31 H new ATOM 0 HB3 GLU A 126 20.859 -10.326 -12.249 1.00 31.31 H new ATOM 0 HG2 GLU A 126 21.087 -8.919 -13.998 1.00 34.31 H new ATOM 0 HG3 GLU A 126 21.999 -7.936 -12.869 1.00 34.31 H new ATOM 522 N GLN A 127 24.130 -7.932 -10.997 1.00 13.40 N ATOM 523 CA GLN A 127 25.484 -7.392 -11.027 1.00 42.43 C ATOM 524 C GLN A 127 26.198 -7.678 -9.711 1.00 52.31 C ATOM 525 O GLN A 127 27.424 -7.772 -9.660 1.00 44.21 O ATOM 526 CB GLN A 127 25.440 -5.882 -11.261 1.00 63.13 C ATOM 527 CG GLN A 127 24.542 -5.475 -12.412 1.00 61.25 C ATOM 528 CD GLN A 127 24.362 -3.978 -12.499 1.00 11.52 C ATOM 529 OE1 GLN A 127 25.097 -3.288 -13.206 1.00 51.31 O ATOM 530 NE2 GLN A 127 23.402 -3.466 -11.749 1.00 65.31 N ATOM 0 H GLN A 127 23.398 -7.222 -10.957 1.00 13.40 H new ATOM 0 HA GLN A 127 26.029 -7.871 -11.841 1.00 42.43 H new ATOM 0 HB2 GLN A 127 25.096 -5.391 -10.351 1.00 63.13 H new ATOM 0 HB3 GLN A 127 26.451 -5.523 -11.454 1.00 63.13 H new ATOM 0 HG2 GLN A 127 24.965 -5.842 -13.347 1.00 61.25 H new ATOM 0 HG3 GLN A 127 23.568 -5.949 -12.295 1.00 61.25 H new ATOM 0 HE21 GLN A 127 22.818 -4.079 -11.180 1.00 65.31 H new ATOM 0 HE22 GLN A 127 23.245 -2.458 -11.740 1.00 65.31 H new ATOM 539 N TYR A 128 25.413 -7.817 -8.650 1.00 51.11 N ATOM 540 CA TYR A 128 25.955 -8.027 -7.316 1.00 13.15 C ATOM 541 C TYR A 128 26.320 -9.487 -7.092 1.00 74.40 C ATOM 542 O TYR A 128 27.333 -9.786 -6.460 1.00 73.21 O ATOM 543 CB TYR A 128 24.951 -7.573 -6.256 1.00 52.41 C ATOM 544 CG TYR A 128 24.703 -6.080 -6.246 1.00 71.24 C ATOM 545 CD1 TYR A 128 25.283 -5.283 -5.275 1.00 1.02 C ATOM 546 CD2 TYR A 128 23.894 -5.471 -7.198 1.00 44.45 C ATOM 547 CE1 TYR A 128 25.068 -3.919 -5.244 1.00 14.41 C ATOM 548 CE2 TYR A 128 23.674 -4.105 -7.181 1.00 11.31 C ATOM 549 CZ TYR A 128 24.261 -3.333 -6.201 1.00 53.51 C ATOM 550 OH TYR A 128 24.042 -1.973 -6.176 1.00 11.22 O ATOM 0 H TYR A 128 24.394 -7.788 -8.689 1.00 51.11 H new ATOM 0 HA TYR A 128 26.863 -7.431 -7.228 1.00 13.15 H new ATOM 0 HB2 TYR A 128 24.005 -8.088 -6.422 1.00 52.41 H new ATOM 0 HB3 TYR A 128 25.312 -7.878 -5.274 1.00 52.41 H new ATOM 0 HD1 TYR A 128 25.916 -5.736 -4.527 1.00 1.02 H new ATOM 0 HD2 TYR A 128 23.429 -6.074 -7.964 1.00 44.45 H new ATOM 0 HE1 TYR A 128 25.528 -3.314 -4.477 1.00 14.41 H new ATOM 0 HE2 TYR A 128 23.046 -3.646 -7.931 1.00 11.31 H new ATOM 0 HH TYR A 128 23.102 -1.789 -6.382 1.00 11.22 H new ATOM 560 N GLY A 129 25.500 -10.394 -7.606 1.00 23.13 N ATOM 561 CA GLY A 129 25.774 -11.804 -7.429 1.00 30.33 C ATOM 562 C GLY A 129 24.811 -12.690 -8.187 1.00 32.41 C ATOM 563 O GLY A 129 24.214 -12.265 -9.180 1.00 63.33 O ATOM 0 H GLY A 129 24.657 -10.180 -8.138 1.00 23.13 H new ATOM 0 HA2 GLY A 129 26.791 -12.016 -7.759 1.00 30.33 H new ATOM 0 HA3 GLY A 129 25.726 -12.048 -6.368 1.00 30.33 H new ATOM 567 N LYS A 130 24.657 -13.922 -7.720 1.00 23.12 N ATOM 568 CA LYS A 130 23.802 -14.889 -8.375 1.00 23.32 C ATOM 569 C LYS A 130 22.392 -14.852 -7.804 1.00 34.14 C ATOM 570 O LYS A 130 22.172 -15.104 -6.615 1.00 62.14 O ATOM 571 CB LYS A 130 24.404 -16.289 -8.241 1.00 52.23 C ATOM 572 CG LYS A 130 23.470 -17.399 -8.676 1.00 21.43 C ATOM 573 CD LYS A 130 24.188 -18.733 -8.767 1.00 62.40 C ATOM 574 CE LYS A 130 23.203 -19.848 -9.049 1.00 23.11 C ATOM 575 NZ LYS A 130 23.872 -21.159 -9.271 1.00 2.31 N ATOM 0 H LYS A 130 25.120 -14.273 -6.882 1.00 23.12 H new ATOM 0 HA LYS A 130 23.735 -14.632 -9.432 1.00 23.32 H new ATOM 0 HB2 LYS A 130 25.316 -16.341 -8.835 1.00 52.23 H new ATOM 0 HB3 LYS A 130 24.690 -16.454 -7.202 1.00 52.23 H new ATOM 0 HG2 LYS A 130 22.644 -17.478 -7.969 1.00 21.43 H new ATOM 0 HG3 LYS A 130 23.037 -17.152 -9.645 1.00 21.43 H new ATOM 0 HD2 LYS A 130 24.939 -18.695 -9.556 1.00 62.40 H new ATOM 0 HD3 LYS A 130 24.715 -18.933 -7.834 1.00 62.40 H new ATOM 0 HE2 LYS A 130 22.509 -19.935 -8.213 1.00 23.11 H new ATOM 0 HE3 LYS A 130 22.612 -19.592 -9.928 1.00 23.11 H new ATOM 0 HZ1 LYS A 130 23.154 -21.888 -9.460 1.00 2.31 H new ATOM 0 HZ2 LYS A 130 24.515 -21.087 -10.085 1.00 2.31 H new ATOM 0 HZ3 LYS A 130 24.415 -21.420 -8.423 1.00 2.31 H new ATOM 589 N ILE A 131 21.442 -14.544 -8.668 1.00 61.21 N ATOM 590 CA ILE A 131 20.047 -14.466 -8.282 1.00 0.13 C ATOM 591 C ILE A 131 19.345 -15.779 -8.591 1.00 44.35 C ATOM 592 O ILE A 131 19.572 -16.379 -9.643 1.00 61.41 O ATOM 593 CB ILE A 131 19.316 -13.330 -9.030 1.00 32.25 C ATOM 594 CG1 ILE A 131 20.059 -12.006 -8.854 1.00 45.12 C ATOM 595 CG2 ILE A 131 17.880 -13.205 -8.541 1.00 51.41 C ATOM 596 CD1 ILE A 131 19.386 -10.842 -9.546 1.00 10.32 C ATOM 0 H ILE A 131 21.616 -14.342 -9.653 1.00 61.21 H new ATOM 0 HA ILE A 131 20.016 -14.262 -7.212 1.00 0.13 H new ATOM 0 HB ILE A 131 19.297 -13.575 -10.092 1.00 32.25 H new ATOM 0 HG12 ILE A 131 20.146 -11.785 -7.790 1.00 45.12 H new ATOM 0 HG13 ILE A 131 21.072 -12.112 -9.241 1.00 45.12 H new ATOM 0 HG21 ILE A 131 17.381 -12.399 -9.080 1.00 51.41 H new ATOM 0 HG22 ILE A 131 17.352 -14.142 -8.719 1.00 51.41 H new ATOM 0 HG23 ILE A 131 17.877 -12.984 -7.474 1.00 51.41 H new ATOM 0 HD11 ILE A 131 19.967 -9.935 -9.380 1.00 10.32 H new ATOM 0 HD12 ILE A 131 19.323 -11.042 -10.616 1.00 10.32 H new ATOM 0 HD13 ILE A 131 18.382 -10.709 -9.142 1.00 10.32 H new ATOM 608 N GLU A 132 18.510 -16.227 -7.672 1.00 53.12 N ATOM 609 CA GLU A 132 17.688 -17.399 -7.901 1.00 32.35 C ATOM 610 C GLU A 132 16.414 -17.021 -8.653 1.00 54.54 C ATOM 611 O GLU A 132 16.281 -17.292 -9.849 1.00 40.20 O ATOM 612 CB GLU A 132 17.345 -18.076 -6.574 1.00 55.33 C ATOM 613 CG GLU A 132 18.491 -18.872 -5.986 1.00 54.22 C ATOM 614 CD GLU A 132 18.019 -19.971 -5.061 1.00 55.14 C ATOM 615 OE1 GLU A 132 17.936 -19.740 -3.839 1.00 41.14 O ATOM 616 OE2 GLU A 132 17.733 -21.080 -5.556 1.00 45.31 O ATOM 0 H GLU A 132 18.383 -15.795 -6.757 1.00 53.12 H new ATOM 0 HA GLU A 132 18.252 -18.103 -8.513 1.00 32.35 H new ATOM 0 HB2 GLU A 132 17.036 -17.316 -5.857 1.00 55.33 H new ATOM 0 HB3 GLU A 132 16.492 -18.738 -6.723 1.00 55.33 H new ATOM 0 HG2 GLU A 132 19.078 -19.309 -6.794 1.00 54.22 H new ATOM 0 HG3 GLU A 132 19.152 -18.200 -5.439 1.00 54.22 H new ATOM 623 N VAL A 133 15.494 -16.370 -7.952 1.00 55.33 N ATOM 624 CA VAL A 133 14.221 -15.952 -8.530 1.00 10.31 C ATOM 625 C VAL A 133 13.809 -14.601 -7.964 1.00 44.14 C ATOM 626 O VAL A 133 14.341 -14.164 -6.942 1.00 11.12 O ATOM 627 CB VAL A 133 13.085 -16.969 -8.256 1.00 63.24 C ATOM 628 CG1 VAL A 133 13.287 -18.246 -9.054 1.00 44.34 C ATOM 629 CG2 VAL A 133 12.988 -17.280 -6.771 1.00 24.41 C ATOM 0 H VAL A 133 15.608 -16.117 -6.970 1.00 55.33 H new ATOM 0 HA VAL A 133 14.371 -15.889 -9.608 1.00 10.31 H new ATOM 0 HB VAL A 133 12.147 -16.515 -8.577 1.00 63.24 H new ATOM 0 HG11 VAL A 133 12.474 -18.941 -8.841 1.00 44.34 H new ATOM 0 HG12 VAL A 133 13.295 -18.012 -10.119 1.00 44.34 H new ATOM 0 HG13 VAL A 133 14.237 -18.703 -8.776 1.00 44.34 H new ATOM 0 HG21 VAL A 133 12.184 -17.996 -6.601 1.00 24.41 H new ATOM 0 HG22 VAL A 133 13.931 -17.704 -6.426 1.00 24.41 H new ATOM 0 HG23 VAL A 133 12.780 -16.363 -6.220 1.00 24.41 H new ATOM 639 N ILE A 134 12.875 -13.940 -8.628 1.00 1.43 N ATOM 640 CA ILE A 134 12.372 -12.663 -8.152 1.00 33.54 C ATOM 641 C ILE A 134 10.933 -12.812 -7.704 1.00 21.14 C ATOM 642 O ILE A 134 10.028 -12.994 -8.520 1.00 11.14 O ATOM 643 CB ILE A 134 12.460 -11.565 -9.230 1.00 24.43 C ATOM 644 CG1 ILE A 134 13.850 -11.548 -9.879 1.00 53.55 C ATOM 645 CG2 ILE A 134 12.147 -10.201 -8.629 1.00 44.41 C ATOM 646 CD1 ILE A 134 14.972 -11.257 -8.913 1.00 72.32 C ATOM 0 H ILE A 134 12.451 -14.266 -9.496 1.00 1.43 H new ATOM 0 HA ILE A 134 12.999 -12.359 -7.314 1.00 33.54 H new ATOM 0 HB ILE A 134 11.722 -11.788 -10.000 1.00 24.43 H new ATOM 0 HG12 ILE A 134 14.032 -12.513 -10.351 1.00 53.55 H new ATOM 0 HG13 ILE A 134 13.862 -10.799 -10.671 1.00 53.55 H new ATOM 0 HG21 ILE A 134 12.214 -9.438 -9.404 1.00 44.41 H new ATOM 0 HG22 ILE A 134 11.139 -10.209 -8.214 1.00 44.41 H new ATOM 0 HG23 ILE A 134 12.864 -9.979 -7.838 1.00 44.41 H new ATOM 0 HD11 ILE A 134 15.922 -11.262 -9.447 1.00 72.32 H new ATOM 0 HD12 ILE A 134 14.816 -10.279 -8.459 1.00 72.32 H new ATOM 0 HD13 ILE A 134 14.989 -12.020 -8.135 1.00 72.32 H new ATOM 658 N GLU A 135 10.732 -12.749 -6.403 1.00 34.34 N ATOM 659 CA GLU A 135 9.419 -12.910 -5.826 1.00 11.43 C ATOM 660 C GLU A 135 8.671 -11.592 -5.835 1.00 52.42 C ATOM 661 O GLU A 135 8.792 -10.784 -4.914 1.00 14.20 O ATOM 662 CB GLU A 135 9.524 -13.440 -4.397 1.00 70.05 C ATOM 663 CG GLU A 135 10.117 -14.832 -4.314 1.00 52.03 C ATOM 664 CD GLU A 135 9.210 -15.877 -4.923 1.00 43.04 C ATOM 665 OE1 GLU A 135 9.487 -16.320 -6.053 1.00 33.23 O ATOM 666 OE2 GLU A 135 8.209 -16.258 -4.279 1.00 63.05 O ATOM 0 H GLU A 135 11.473 -12.585 -5.721 1.00 34.34 H new ATOM 0 HA GLU A 135 8.867 -13.632 -6.429 1.00 11.43 H new ATOM 0 HB2 GLU A 135 10.136 -12.757 -3.808 1.00 70.05 H new ATOM 0 HB3 GLU A 135 8.531 -13.448 -3.947 1.00 70.05 H new ATOM 0 HG2 GLU A 135 11.079 -14.846 -4.826 1.00 52.03 H new ATOM 0 HG3 GLU A 135 10.307 -15.082 -3.270 1.00 52.03 H new ATOM 673 N ILE A 136 7.926 -11.362 -6.895 1.00 21.02 N ATOM 674 CA ILE A 136 7.111 -10.173 -6.987 1.00 31.21 C ATOM 675 C ILE A 136 5.818 -10.400 -6.225 1.00 32.25 C ATOM 676 O ILE A 136 4.974 -11.195 -6.653 1.00 64.21 O ATOM 677 CB ILE A 136 6.784 -9.820 -8.450 1.00 3.14 C ATOM 678 CG1 ILE A 136 8.032 -9.941 -9.320 1.00 74.34 C ATOM 679 CG2 ILE A 136 6.218 -8.409 -8.539 1.00 12.43 C ATOM 680 CD1 ILE A 136 7.751 -9.748 -10.788 1.00 20.14 C ATOM 0 H ILE A 136 7.869 -11.982 -7.703 1.00 21.02 H new ATOM 0 HA ILE A 136 7.670 -9.342 -6.557 1.00 31.21 H new ATOM 0 HB ILE A 136 6.035 -10.523 -8.816 1.00 3.14 H new ATOM 0 HG12 ILE A 136 8.766 -9.203 -8.997 1.00 74.34 H new ATOM 0 HG13 ILE A 136 8.480 -10.923 -9.168 1.00 74.34 H new ATOM 0 HG21 ILE A 136 5.991 -8.173 -9.579 1.00 12.43 H new ATOM 0 HG22 ILE A 136 5.306 -8.345 -7.945 1.00 12.43 H new ATOM 0 HG23 ILE A 136 6.951 -7.698 -8.157 1.00 12.43 H new ATOM 0 HD11 ILE A 136 8.679 -9.846 -11.352 1.00 20.14 H new ATOM 0 HD12 ILE A 136 7.040 -10.503 -11.125 1.00 20.14 H new ATOM 0 HD13 ILE A 136 7.331 -8.755 -10.951 1.00 20.14 H new ATOM 692 N MET A 137 5.686 -9.743 -5.080 1.00 52.25 N ATOM 693 CA MET A 137 4.486 -9.868 -4.270 1.00 73.22 C ATOM 694 C MET A 137 3.285 -9.471 -5.111 1.00 14.43 C ATOM 695 O MET A 137 3.156 -8.316 -5.512 1.00 31.44 O ATOM 696 CB MET A 137 4.574 -8.976 -3.031 1.00 20.31 C ATOM 697 CG MET A 137 4.077 -9.632 -1.750 1.00 62.40 C ATOM 698 SD MET A 137 2.444 -10.379 -1.911 1.00 32.03 S ATOM 699 CE MET A 137 2.885 -12.115 -1.886 1.00 62.12 C ATOM 0 H MET A 137 6.395 -9.120 -4.694 1.00 52.25 H new ATOM 0 HA MET A 137 4.383 -10.901 -3.936 1.00 73.22 H new ATOM 0 HB2 MET A 137 5.611 -8.671 -2.890 1.00 20.31 H new ATOM 0 HB3 MET A 137 3.996 -8.069 -3.209 1.00 20.31 H new ATOM 0 HG2 MET A 137 4.789 -10.398 -1.443 1.00 62.40 H new ATOM 0 HG3 MET A 137 4.050 -8.886 -0.956 1.00 62.40 H new ATOM 0 HE1 MET A 137 2.054 -12.696 -1.485 1.00 62.12 H new ATOM 0 HE2 MET A 137 3.106 -12.449 -2.900 1.00 62.12 H new ATOM 0 HE3 MET A 137 3.764 -12.258 -1.258 1.00 62.12 H new ATOM 859 N PHE A 148 5.674 -4.143 -3.028 1.00 24.45 N ATOM 860 CA PHE A 148 7.049 -4.540 -2.752 1.00 51.02 C ATOM 861 C PHE A 148 7.395 -5.871 -3.417 1.00 31.01 C ATOM 862 O PHE A 148 6.510 -6.636 -3.806 1.00 54.43 O ATOM 863 CB PHE A 148 7.252 -4.636 -1.237 1.00 43.30 C ATOM 864 CG PHE A 148 6.130 -5.344 -0.527 1.00 21.11 C ATOM 865 CD1 PHE A 148 6.212 -6.698 -0.253 1.00 74.14 C ATOM 866 CD2 PHE A 148 4.988 -4.655 -0.144 1.00 41.05 C ATOM 867 CE1 PHE A 148 5.178 -7.351 0.385 1.00 74.13 C ATOM 868 CE2 PHE A 148 3.951 -5.304 0.496 1.00 74.41 C ATOM 869 CZ PHE A 148 4.045 -6.654 0.761 1.00 2.32 C ATOM 0 HA PHE A 148 7.716 -3.785 -3.168 1.00 51.02 H new ATOM 0 HB2 PHE A 148 8.187 -5.159 -1.036 1.00 43.30 H new ATOM 0 HB3 PHE A 148 7.354 -3.631 -0.827 1.00 43.30 H new ATOM 0 HD1 PHE A 148 7.095 -7.249 -0.542 1.00 74.14 H new ATOM 0 HD2 PHE A 148 4.909 -3.598 -0.349 1.00 41.05 H new ATOM 0 HE1 PHE A 148 5.254 -8.408 0.591 1.00 74.13 H new ATOM 0 HE2 PHE A 148 3.068 -4.755 0.789 1.00 74.41 H new ATOM 0 HZ PHE A 148 3.236 -7.165 1.261 1.00 2.32 H new ATOM 879 N ALA A 149 8.688 -6.142 -3.540 1.00 11.25 N ATOM 880 CA ALA A 149 9.156 -7.376 -4.149 1.00 62.22 C ATOM 881 C ALA A 149 10.361 -7.926 -3.396 1.00 42.32 C ATOM 882 O ALA A 149 11.073 -7.186 -2.715 1.00 40.32 O ATOM 883 CB ALA A 149 9.499 -7.150 -5.614 1.00 24.41 C ATOM 0 H ALA A 149 9.432 -5.520 -3.224 1.00 11.25 H new ATOM 0 HA ALA A 149 8.354 -8.112 -4.092 1.00 62.22 H new ATOM 0 HB1 ALA A 149 9.848 -8.084 -6.054 1.00 24.41 H new ATOM 0 HB2 ALA A 149 8.612 -6.807 -6.147 1.00 24.41 H new ATOM 0 HB3 ALA A 149 10.283 -6.397 -5.692 1.00 24.41 H new ATOM 889 N PHE A 150 10.584 -9.224 -3.526 1.00 33.41 N ATOM 890 CA PHE A 150 11.666 -9.893 -2.822 1.00 22.22 C ATOM 891 C PHE A 150 12.601 -10.561 -3.817 1.00 53.33 C ATOM 892 O PHE A 150 12.170 -11.349 -4.652 1.00 64.24 O ATOM 893 CB PHE A 150 11.105 -10.942 -1.860 1.00 11.42 C ATOM 894 CG PHE A 150 10.039 -10.416 -0.944 1.00 42.35 C ATOM 895 CD1 PHE A 150 8.699 -10.539 -1.281 1.00 60.34 C ATOM 896 CD2 PHE A 150 10.371 -9.797 0.249 1.00 34.14 C ATOM 897 CE1 PHE A 150 7.714 -10.053 -0.447 1.00 2.32 C ATOM 898 CE2 PHE A 150 9.388 -9.309 1.088 1.00 52.34 C ATOM 899 CZ PHE A 150 8.059 -9.438 0.739 1.00 42.14 C ATOM 0 H PHE A 150 10.025 -9.839 -4.117 1.00 33.41 H new ATOM 0 HA PHE A 150 12.221 -9.149 -2.251 1.00 22.22 H new ATOM 0 HB2 PHE A 150 10.697 -11.771 -2.439 1.00 11.42 H new ATOM 0 HB3 PHE A 150 11.921 -11.344 -1.259 1.00 11.42 H new ATOM 0 HD1 PHE A 150 8.424 -11.021 -2.207 1.00 60.34 H new ATOM 0 HD2 PHE A 150 11.410 -9.695 0.527 1.00 34.14 H new ATOM 0 HE1 PHE A 150 6.674 -10.154 -0.722 1.00 2.32 H new ATOM 0 HE2 PHE A 150 9.659 -8.827 2.016 1.00 52.34 H new ATOM 0 HZ PHE A 150 7.289 -9.058 1.394 1.00 42.14 H new ATOM 909 N VAL A 151 13.876 -10.245 -3.736 1.00 30.45 N ATOM 910 CA VAL A 151 14.849 -10.820 -4.649 1.00 71.30 C ATOM 911 C VAL A 151 15.589 -11.965 -3.971 1.00 60.15 C ATOM 912 O VAL A 151 16.381 -11.745 -3.053 1.00 14.42 O ATOM 913 CB VAL A 151 15.858 -9.765 -5.140 1.00 74.15 C ATOM 914 CG1 VAL A 151 16.774 -10.347 -6.207 1.00 4.42 C ATOM 915 CG2 VAL A 151 15.127 -8.542 -5.668 1.00 23.45 C ATOM 0 H VAL A 151 14.265 -9.596 -3.052 1.00 30.45 H new ATOM 0 HA VAL A 151 14.307 -11.198 -5.516 1.00 71.30 H new ATOM 0 HB VAL A 151 16.476 -9.461 -4.295 1.00 74.15 H new ATOM 0 HG11 VAL A 151 17.478 -9.583 -6.538 1.00 4.42 H new ATOM 0 HG12 VAL A 151 17.324 -11.192 -5.793 1.00 4.42 H new ATOM 0 HG13 VAL A 151 16.177 -10.683 -7.055 1.00 4.42 H new ATOM 0 HG21 VAL A 151 15.853 -7.805 -6.012 1.00 23.45 H new ATOM 0 HG22 VAL A 151 14.484 -8.833 -6.499 1.00 23.45 H new ATOM 0 HG23 VAL A 151 14.519 -8.110 -4.873 1.00 23.45 H new ATOM 925 N THR A 152 15.305 -13.183 -4.406 1.00 32.21 N ATOM 926 CA THR A 152 15.943 -14.360 -3.844 1.00 4.50 C ATOM 927 C THR A 152 17.274 -14.622 -4.537 1.00 71.23 C ATOM 928 O THR A 152 17.333 -14.735 -5.760 1.00 53.02 O ATOM 929 CB THR A 152 15.043 -15.606 -3.984 1.00 13.43 C ATOM 930 OG1 THR A 152 13.740 -15.336 -3.460 1.00 2.01 O ATOM 931 CG2 THR A 152 15.648 -16.798 -3.257 1.00 73.33 C ATOM 0 H THR A 152 14.635 -13.381 -5.149 1.00 32.21 H new ATOM 0 HA THR A 152 16.112 -14.168 -2.784 1.00 4.50 H new ATOM 0 HB THR A 152 14.964 -15.847 -5.044 1.00 13.43 H new ATOM 0 HG1 THR A 152 13.488 -16.042 -2.829 1.00 2.01 H new ATOM 0 HG21 THR A 152 14.995 -17.663 -3.371 1.00 73.33 H new ATOM 0 HG22 THR A 152 16.627 -17.024 -3.680 1.00 73.33 H new ATOM 0 HG23 THR A 152 15.756 -16.562 -2.198 1.00 73.33 H new ATOM 939 N PHE A 153 18.332 -14.713 -3.755 1.00 3.31 N ATOM 940 CA PHE A 153 19.656 -14.976 -4.285 1.00 74.10 C ATOM 941 C PHE A 153 20.087 -16.377 -3.900 1.00 1.52 C ATOM 942 O PHE A 153 19.679 -16.893 -2.859 1.00 52.25 O ATOM 943 CB PHE A 153 20.675 -13.965 -3.751 1.00 23.15 C ATOM 944 CG PHE A 153 20.396 -12.544 -4.147 1.00 32.32 C ATOM 945 CD1 PHE A 153 20.918 -12.020 -5.318 1.00 52.25 C ATOM 946 CD2 PHE A 153 19.621 -11.731 -3.341 1.00 44.35 C ATOM 947 CE1 PHE A 153 20.668 -10.711 -5.676 1.00 62.44 C ATOM 948 CE2 PHE A 153 19.369 -10.423 -3.694 1.00 41.54 C ATOM 949 CZ PHE A 153 19.892 -9.913 -4.861 1.00 33.24 C ATOM 0 H PHE A 153 18.299 -14.608 -2.741 1.00 3.31 H new ATOM 0 HA PHE A 153 19.615 -14.883 -5.370 1.00 74.10 H new ATOM 0 HB2 PHE A 153 20.699 -14.029 -2.663 1.00 23.15 H new ATOM 0 HB3 PHE A 153 21.667 -14.242 -4.108 1.00 23.15 H new ATOM 0 HD1 PHE A 153 21.527 -12.642 -5.957 1.00 52.25 H new ATOM 0 HD2 PHE A 153 19.208 -12.125 -2.424 1.00 44.35 H new ATOM 0 HE1 PHE A 153 21.079 -10.312 -6.592 1.00 62.44 H new ATOM 0 HE2 PHE A 153 18.762 -9.798 -3.056 1.00 41.54 H new ATOM 0 HZ PHE A 153 19.695 -8.888 -5.138 1.00 33.24 H new ATOM 959 N ASP A 154 20.901 -16.993 -4.738 1.00 54.24 N ATOM 960 CA ASP A 154 21.415 -18.326 -4.451 1.00 71.32 C ATOM 961 C ASP A 154 22.386 -18.293 -3.282 1.00 1.04 C ATOM 962 O ASP A 154 22.544 -19.279 -2.559 1.00 40.32 O ATOM 963 CB ASP A 154 22.108 -18.910 -5.681 1.00 32.43 C ATOM 964 CG ASP A 154 22.773 -20.238 -5.390 1.00 64.43 C ATOM 965 OD1 ASP A 154 24.003 -20.259 -5.182 1.00 31.01 O ATOM 966 OD2 ASP A 154 22.069 -21.270 -5.370 1.00 62.45 O ATOM 0 H ASP A 154 21.221 -16.596 -5.621 1.00 54.24 H new ATOM 0 HA ASP A 154 20.569 -18.960 -4.185 1.00 71.32 H new ATOM 0 HB2 ASP A 154 21.377 -19.039 -6.480 1.00 32.43 H new ATOM 0 HB3 ASP A 154 22.855 -18.204 -6.044 1.00 32.43 H new ATOM 971 N ASP A 155 23.022 -17.153 -3.082 1.00 32.13 N ATOM 972 CA ASP A 155 24.051 -17.043 -2.056 1.00 62.13 C ATOM 973 C ASP A 155 23.812 -15.835 -1.166 1.00 13.33 C ATOM 974 O ASP A 155 23.255 -14.827 -1.603 1.00 44.51 O ATOM 975 CB ASP A 155 25.435 -16.937 -2.694 1.00 70.31 C ATOM 976 CG ASP A 155 26.523 -17.451 -1.774 1.00 1.42 C ATOM 977 OD1 ASP A 155 27.000 -18.586 -1.991 1.00 45.11 O ATOM 978 OD2 ASP A 155 26.894 -16.735 -0.823 1.00 50.34 O ATOM 0 H ASP A 155 22.849 -16.297 -3.609 1.00 32.13 H new ATOM 0 HA ASP A 155 24.002 -17.944 -1.444 1.00 62.13 H new ATOM 0 HB2 ASP A 155 25.450 -17.503 -3.625 1.00 70.31 H new ATOM 0 HB3 ASP A 155 25.638 -15.897 -2.950 1.00 70.31 H new ATOM 983 N HIS A 156 24.249 -15.940 0.079 1.00 61.50 N ATOM 984 CA HIS A 156 24.128 -14.847 1.032 1.00 42.41 C ATOM 985 C HIS A 156 25.276 -13.853 0.868 1.00 22.41 C ATOM 986 O HIS A 156 25.296 -12.797 1.498 1.00 31.13 O ATOM 987 CB HIS A 156 24.074 -15.382 2.469 1.00 24.31 C ATOM 988 CG HIS A 156 25.103 -16.429 2.783 1.00 41.45 C ATOM 989 ND1 HIS A 156 24.738 -17.723 3.074 1.00 24.20 N ATOM 990 CD2 HIS A 156 26.453 -16.324 2.852 1.00 3.30 C ATOM 991 CE1 HIS A 156 25.866 -18.371 3.313 1.00 51.13 C ATOM 992 NE2 HIS A 156 26.929 -17.565 3.191 1.00 11.10 N ATOM 0 H HIS A 156 24.694 -16.777 0.455 1.00 61.50 H new ATOM 0 HA HIS A 156 23.194 -14.323 0.828 1.00 42.41 H new ATOM 0 HB2 HIS A 156 24.201 -14.548 3.159 1.00 24.31 H new ATOM 0 HB3 HIS A 156 23.083 -15.798 2.651 1.00 24.31 H new ATOM 0 HD2 HIS A 156 27.040 -15.435 2.674 1.00 3.30 H new ATOM 0 HE1 HIS A 156 25.923 -19.418 3.574 1.00 51.13 H new ATOM 0 HE2 HIS A 156 27.906 -17.825 3.325 1.00 11.10 H new ATOM 1000 N ASP A 157 26.237 -14.194 0.020 1.00 54.10 N ATOM 1001 CA ASP A 157 27.319 -13.272 -0.301 1.00 62.12 C ATOM 1002 C ASP A 157 26.791 -12.151 -1.187 1.00 1.44 C ATOM 1003 O ASP A 157 27.132 -10.982 -1.003 1.00 63.33 O ATOM 1004 CB ASP A 157 28.464 -13.998 -1.010 1.00 34.11 C ATOM 1005 CG ASP A 157 29.696 -13.127 -1.154 1.00 54.33 C ATOM 1006 OD1 ASP A 157 29.841 -12.449 -2.194 1.00 11.52 O ATOM 1007 OD2 ASP A 157 30.526 -13.110 -0.220 1.00 60.52 O ATOM 0 H ASP A 157 26.290 -15.095 -0.455 1.00 54.10 H new ATOM 0 HA ASP A 157 27.703 -12.853 0.629 1.00 62.12 H new ATOM 0 HB2 ASP A 157 28.721 -14.898 -0.452 1.00 34.11 H new ATOM 0 HB3 ASP A 157 28.132 -14.319 -1.997 1.00 34.11 H new ATOM 1012 N SER A 158 25.934 -12.521 -2.133 1.00 71.42 N ATOM 1013 CA SER A 158 25.349 -11.571 -3.074 1.00 12.03 C ATOM 1014 C SER A 158 24.470 -10.544 -2.360 1.00 54.32 C ATOM 1015 O SER A 158 24.380 -9.392 -2.783 1.00 14.20 O ATOM 1016 CB SER A 158 24.519 -12.332 -4.109 1.00 73.33 C ATOM 1017 OG SER A 158 25.246 -13.431 -4.633 1.00 12.25 O ATOM 0 H SER A 158 25.626 -13.484 -2.269 1.00 71.42 H new ATOM 0 HA SER A 158 26.159 -11.032 -3.566 1.00 12.03 H new ATOM 0 HB2 SER A 158 23.596 -12.687 -3.651 1.00 73.33 H new ATOM 0 HB3 SER A 158 24.235 -11.660 -4.919 1.00 73.33 H new ATOM 0 HG SER A 158 24.624 -14.145 -4.885 1.00 12.25 H new ATOM 1023 N VAL A 159 23.842 -10.955 -1.265 1.00 22.50 N ATOM 1024 CA VAL A 159 22.912 -10.083 -0.560 1.00 51.31 C ATOM 1025 C VAL A 159 23.653 -9.055 0.291 1.00 42.12 C ATOM 1026 O VAL A 159 23.114 -7.991 0.592 1.00 22.21 O ATOM 1027 CB VAL A 159 21.939 -10.876 0.345 1.00 60.52 C ATOM 1028 CG1 VAL A 159 21.293 -12.018 -0.420 1.00 11.43 C ATOM 1029 CG2 VAL A 159 22.639 -11.391 1.591 1.00 21.22 C ATOM 0 H VAL A 159 23.959 -11.879 -0.849 1.00 22.50 H new ATOM 0 HA VAL A 159 22.334 -9.572 -1.329 1.00 51.31 H new ATOM 0 HB VAL A 159 21.153 -10.191 0.663 1.00 60.52 H new ATOM 0 HG11 VAL A 159 20.614 -12.559 0.239 1.00 11.43 H new ATOM 0 HG12 VAL A 159 20.735 -11.619 -1.267 1.00 11.43 H new ATOM 0 HG13 VAL A 159 22.066 -12.697 -0.781 1.00 11.43 H new ATOM 0 HG21 VAL A 159 21.928 -11.944 2.205 1.00 21.22 H new ATOM 0 HG22 VAL A 159 23.458 -12.050 1.302 1.00 21.22 H new ATOM 0 HG23 VAL A 159 23.034 -10.550 2.161 1.00 21.22 H new ATOM 1039 N ASP A 160 24.895 -9.365 0.655 1.00 72.21 N ATOM 1040 CA ASP A 160 25.651 -8.527 1.581 1.00 15.02 C ATOM 1041 C ASP A 160 25.905 -7.148 0.996 1.00 62.02 C ATOM 1042 O ASP A 160 25.700 -6.144 1.666 1.00 50.15 O ATOM 1043 CB ASP A 160 26.978 -9.187 1.953 1.00 11.13 C ATOM 1044 CG ASP A 160 27.807 -8.326 2.888 1.00 44.23 C ATOM 1045 OD1 ASP A 160 27.552 -8.344 4.109 1.00 35.21 O ATOM 1046 OD2 ASP A 160 28.733 -7.637 2.407 1.00 53.42 O ATOM 0 H ASP A 160 25.398 -10.188 0.324 1.00 72.21 H new ATOM 0 HA ASP A 160 25.049 -8.413 2.483 1.00 15.02 H new ATOM 0 HB2 ASP A 160 26.783 -10.149 2.426 1.00 11.13 H new ATOM 0 HB3 ASP A 160 27.548 -9.388 1.046 1.00 11.13 H new ATOM 1051 N LYS A 161 26.316 -7.109 -0.270 1.00 21.32 N ATOM 1052 CA LYS A 161 26.604 -5.845 -0.948 1.00 72.24 C ATOM 1053 C LYS A 161 25.351 -4.979 -1.028 1.00 0.24 C ATOM 1054 O LYS A 161 25.425 -3.770 -1.246 1.00 34.12 O ATOM 1055 CB LYS A 161 27.106 -6.083 -2.375 1.00 42.22 C ATOM 1056 CG LYS A 161 28.140 -7.185 -2.529 1.00 24.15 C ATOM 1057 CD LYS A 161 27.505 -8.481 -3.004 1.00 42.40 C ATOM 1058 CE LYS A 161 28.552 -9.512 -3.404 1.00 3.34 C ATOM 1059 NZ LYS A 161 29.497 -9.813 -2.299 1.00 21.22 N ATOM 0 H LYS A 161 26.457 -7.938 -0.848 1.00 21.32 H new ATOM 0 HA LYS A 161 27.375 -5.341 -0.366 1.00 72.24 H new ATOM 0 HB2 LYS A 161 26.251 -6.320 -3.008 1.00 42.22 H new ATOM 0 HB3 LYS A 161 27.533 -5.153 -2.751 1.00 42.22 H new ATOM 0 HG2 LYS A 161 28.905 -6.871 -3.240 1.00 24.15 H new ATOM 0 HG3 LYS A 161 28.640 -7.352 -1.575 1.00 24.15 H new ATOM 0 HD2 LYS A 161 26.877 -8.889 -2.212 1.00 42.40 H new ATOM 0 HD3 LYS A 161 26.854 -8.276 -3.854 1.00 42.40 H new ATOM 0 HE2 LYS A 161 28.054 -10.431 -3.714 1.00 3.34 H new ATOM 0 HE3 LYS A 161 29.109 -9.145 -4.266 1.00 3.34 H new ATOM 0 HZ1 LYS A 161 29.948 -10.735 -2.469 1.00 21.22 H new ATOM 0 HZ2 LYS A 161 30.227 -9.073 -2.255 1.00 21.22 H new ATOM 0 HZ3 LYS A 161 28.979 -9.842 -1.398 1.00 21.22 H new ATOM 1073 N ILE A 162 24.205 -5.615 -0.858 1.00 74.22 N ATOM 1074 CA ILE A 162 22.929 -4.954 -1.026 1.00 75.45 C ATOM 1075 C ILE A 162 22.351 -4.506 0.311 1.00 31.03 C ATOM 1076 O ILE A 162 22.061 -3.332 0.495 1.00 73.44 O ATOM 1077 CB ILE A 162 21.930 -5.887 -1.732 1.00 34.25 C ATOM 1078 CG1 ILE A 162 22.502 -6.325 -3.080 1.00 71.32 C ATOM 1079 CG2 ILE A 162 20.587 -5.196 -1.912 1.00 75.01 C ATOM 1080 CD1 ILE A 162 21.726 -7.442 -3.732 1.00 1.50 C ATOM 0 H ILE A 162 24.136 -6.600 -0.601 1.00 74.22 H new ATOM 0 HA ILE A 162 23.098 -4.070 -1.640 1.00 75.45 H new ATOM 0 HB ILE A 162 21.770 -6.771 -1.114 1.00 34.25 H new ATOM 0 HG12 ILE A 162 22.522 -5.467 -3.752 1.00 71.32 H new ATOM 0 HG13 ILE A 162 23.535 -6.645 -2.940 1.00 71.32 H new ATOM 0 HG21 ILE A 162 19.894 -5.872 -2.413 1.00 75.01 H new ATOM 0 HG22 ILE A 162 20.185 -4.922 -0.937 1.00 75.01 H new ATOM 0 HG23 ILE A 162 20.718 -4.298 -2.516 1.00 75.01 H new ATOM 0 HD11 ILE A 162 22.190 -7.700 -4.684 1.00 1.50 H new ATOM 0 HD12 ILE A 162 21.727 -8.315 -3.079 1.00 1.50 H new ATOM 0 HD13 ILE A 162 20.699 -7.119 -3.904 1.00 1.50 H new ATOM 1092 N VAL A 163 22.221 -5.443 1.245 1.00 33.24 N ATOM 1093 CA VAL A 163 21.537 -5.183 2.513 1.00 11.32 C ATOM 1094 C VAL A 163 22.284 -4.169 3.383 1.00 11.10 C ATOM 1095 O VAL A 163 21.700 -3.574 4.292 1.00 32.04 O ATOM 1096 CB VAL A 163 21.317 -6.485 3.315 1.00 62.43 C ATOM 1097 CG1 VAL A 163 20.460 -7.465 2.525 1.00 2.25 C ATOM 1098 CG2 VAL A 163 22.643 -7.121 3.703 1.00 62.25 C ATOM 0 H VAL A 163 22.581 -6.393 1.150 1.00 33.24 H new ATOM 0 HA VAL A 163 20.569 -4.757 2.249 1.00 11.32 H new ATOM 0 HB VAL A 163 20.788 -6.228 4.233 1.00 62.43 H new ATOM 0 HG11 VAL A 163 20.317 -8.375 3.108 1.00 2.25 H new ATOM 0 HG12 VAL A 163 19.491 -7.013 2.314 1.00 2.25 H new ATOM 0 HG13 VAL A 163 20.958 -7.709 1.587 1.00 2.25 H new ATOM 0 HG21 VAL A 163 22.457 -8.035 4.266 1.00 62.25 H new ATOM 0 HG22 VAL A 163 23.210 -7.358 2.803 1.00 62.25 H new ATOM 0 HG23 VAL A 163 23.214 -6.426 4.318 1.00 62.25 H new ATOM 1108 N ILE A 164 23.572 -3.980 3.113 1.00 43.31 N ATOM 1109 CA ILE A 164 24.363 -2.976 3.822 1.00 74.04 C ATOM 1110 C ILE A 164 23.920 -1.570 3.436 1.00 23.03 C ATOM 1111 O ILE A 164 24.097 -0.613 4.191 1.00 71.32 O ATOM 1112 CB ILE A 164 25.876 -3.137 3.544 1.00 75.21 C ATOM 1113 CG1 ILE A 164 26.158 -3.218 2.036 1.00 45.33 C ATOM 1114 CG2 ILE A 164 26.415 -4.369 4.255 1.00 73.11 C ATOM 1115 CD1 ILE A 164 26.402 -1.881 1.367 1.00 40.32 C ATOM 0 H ILE A 164 24.091 -4.507 2.410 1.00 43.31 H new ATOM 0 HA ILE A 164 24.193 -3.129 4.888 1.00 74.04 H new ATOM 0 HB ILE A 164 26.387 -2.256 3.932 1.00 75.21 H new ATOM 0 HG12 ILE A 164 27.029 -3.854 1.876 1.00 45.33 H new ATOM 0 HG13 ILE A 164 25.314 -3.705 1.548 1.00 45.33 H new ATOM 0 HG21 ILE A 164 27.481 -4.470 4.051 1.00 73.11 H new ATOM 0 HG22 ILE A 164 26.260 -4.266 5.329 1.00 73.11 H new ATOM 0 HG23 ILE A 164 25.891 -5.255 3.896 1.00 73.11 H new ATOM 0 HD11 ILE A 164 26.592 -2.035 0.305 1.00 40.32 H new ATOM 0 HD12 ILE A 164 25.524 -1.247 1.490 1.00 40.32 H new ATOM 0 HD13 ILE A 164 27.266 -1.398 1.824 1.00 40.32 H new ATOM 1127 N GLN A 165 23.342 -1.468 2.253 1.00 42.21 N ATOM 1128 CA GLN A 165 22.874 -0.201 1.723 1.00 4.14 C ATOM 1129 C GLN A 165 21.349 -0.173 1.734 1.00 74.12 C ATOM 1130 O GLN A 165 20.704 -1.180 1.457 1.00 12.13 O ATOM 1131 CB GLN A 165 23.407 -0.020 0.302 1.00 14.52 C ATOM 1132 CG GLN A 165 23.256 1.387 -0.249 1.00 23.35 C ATOM 1133 CD GLN A 165 23.783 1.505 -1.664 1.00 72.21 C ATOM 1134 OE1 GLN A 165 24.968 1.767 -1.879 1.00 44.01 O ATOM 1135 NE2 GLN A 165 22.907 1.324 -2.638 1.00 14.10 N ATOM 0 H GLN A 165 23.184 -2.262 1.632 1.00 42.21 H new ATOM 0 HA GLN A 165 23.239 0.618 2.343 1.00 4.14 H new ATOM 0 HB2 GLN A 165 24.462 -0.293 0.285 1.00 14.52 H new ATOM 0 HB3 GLN A 165 22.888 -0.714 -0.359 1.00 14.52 H new ATOM 0 HG2 GLN A 165 22.204 1.672 -0.230 1.00 23.35 H new ATOM 0 HG3 GLN A 165 23.788 2.087 0.395 1.00 23.35 H new ATOM 0 HE21 GLN A 165 21.935 1.109 -2.416 1.00 14.10 H new ATOM 0 HE22 GLN A 165 23.203 1.400 -3.611 1.00 14.10 H new ATOM 1144 N LYS A 166 20.776 0.968 2.066 1.00 33.50 N ATOM 1145 CA LYS A 166 19.330 1.092 2.148 1.00 22.35 C ATOM 1146 C LYS A 166 18.757 1.603 0.835 1.00 25.42 C ATOM 1147 O LYS A 166 17.959 0.924 0.189 1.00 41.41 O ATOM 1148 CB LYS A 166 18.949 2.028 3.295 1.00 63.25 C ATOM 1149 CG LYS A 166 17.473 2.379 3.347 1.00 64.20 C ATOM 1150 CD LYS A 166 17.181 3.292 4.519 1.00 62.24 C ATOM 1151 CE LYS A 166 15.756 3.815 4.504 1.00 42.31 C ATOM 1152 NZ LYS A 166 15.480 4.678 5.682 1.00 1.12 N ATOM 0 H LYS A 166 21.288 1.823 2.284 1.00 33.50 H new ATOM 0 HA LYS A 166 18.908 0.106 2.342 1.00 22.35 H new ATOM 0 HB2 LYS A 166 19.234 1.563 4.239 1.00 63.25 H new ATOM 0 HB3 LYS A 166 19.527 2.948 3.206 1.00 63.25 H new ATOM 0 HG2 LYS A 166 17.177 2.866 2.418 1.00 64.20 H new ATOM 0 HG3 LYS A 166 16.880 1.468 3.433 1.00 64.20 H new ATOM 0 HD2 LYS A 166 17.357 2.752 5.449 1.00 62.24 H new ATOM 0 HD3 LYS A 166 17.874 4.133 4.502 1.00 62.24 H new ATOM 0 HE2 LYS A 166 15.585 4.381 3.589 1.00 42.31 H new ATOM 0 HE3 LYS A 166 15.060 2.976 4.495 1.00 42.31 H new ATOM 0 HZ1 LYS A 166 14.498 5.018 5.641 1.00 1.12 H new ATOM 0 HZ2 LYS A 166 15.620 4.130 6.555 1.00 1.12 H new ATOM 0 HZ3 LYS A 166 16.129 5.491 5.676 1.00 1.12 H new ATOM 1166 N TYR A 167 19.160 2.804 0.451 1.00 64.34 N ATOM 1167 CA TYR A 167 18.699 3.394 -0.795 1.00 65.03 C ATOM 1168 C TYR A 167 19.367 2.732 -1.988 1.00 54.23 C ATOM 1169 O TYR A 167 20.578 2.823 -2.166 1.00 72.33 O ATOM 1170 CB TYR A 167 18.966 4.900 -0.819 1.00 52.20 C ATOM 1171 CG TYR A 167 18.007 5.709 0.025 1.00 10.01 C ATOM 1172 CD1 TYR A 167 18.170 7.079 0.163 1.00 1.01 C ATOM 1173 CD2 TYR A 167 16.934 5.108 0.673 1.00 42.32 C ATOM 1174 CE1 TYR A 167 17.295 7.829 0.922 1.00 52.54 C ATOM 1175 CE2 TYR A 167 16.055 5.850 1.436 1.00 65.24 C ATOM 1176 CZ TYR A 167 16.240 7.211 1.558 1.00 40.13 C ATOM 1177 OH TYR A 167 15.361 7.957 2.314 1.00 5.24 O ATOM 0 H TYR A 167 19.804 3.388 0.984 1.00 64.34 H new ATOM 0 HA TYR A 167 17.624 3.229 -0.860 1.00 65.03 H new ATOM 0 HB2 TYR A 167 19.983 5.084 -0.472 1.00 52.20 H new ATOM 0 HB3 TYR A 167 18.912 5.252 -1.849 1.00 52.20 H new ATOM 0 HD1 TYR A 167 18.996 7.568 -0.332 1.00 1.01 H new ATOM 0 HD2 TYR A 167 16.786 4.042 0.578 1.00 42.32 H new ATOM 0 HE1 TYR A 167 17.436 8.895 1.017 1.00 52.54 H new ATOM 0 HE2 TYR A 167 15.227 5.367 1.934 1.00 65.24 H new ATOM 0 HH TYR A 167 14.675 7.369 2.693 1.00 5.24 H new ATOM 1187 N HIS A 168 18.567 2.057 -2.787 1.00 60.53 N ATOM 1188 CA HIS A 168 19.043 1.432 -4.008 1.00 51.45 C ATOM 1189 C HIS A 168 18.281 1.998 -5.189 1.00 4.44 C ATOM 1190 O HIS A 168 17.230 2.608 -5.014 1.00 31.55 O ATOM 1191 CB HIS A 168 18.884 -0.090 -3.937 1.00 72.40 C ATOM 1192 CG HIS A 168 19.982 -0.764 -3.177 1.00 31.14 C ATOM 1193 ND1 HIS A 168 21.033 -1.372 -3.820 1.00 4.30 N ATOM 1194 CD2 HIS A 168 20.139 -0.902 -1.844 1.00 72.42 C ATOM 1195 CE1 HIS A 168 21.802 -1.865 -2.863 1.00 14.35 C ATOM 1196 NE2 HIS A 168 21.299 -1.604 -1.649 1.00 54.24 N ATOM 0 H HIS A 168 17.571 1.925 -2.611 1.00 60.53 H new ATOM 0 HA HIS A 168 20.104 1.647 -4.131 1.00 51.45 H new ATOM 0 HB2 HIS A 168 17.929 -0.327 -3.469 1.00 72.40 H new ATOM 0 HB3 HIS A 168 18.852 -0.493 -4.949 1.00 72.40 H new ATOM 0 HD2 HIS A 168 19.476 -0.530 -1.077 1.00 72.42 H new ATOM 0 HE1 HIS A 168 22.719 -2.409 -3.038 1.00 14.35 H new ATOM 0 HE2 HIS A 168 21.702 -1.876 -0.752 1.00 54.24 H new ATOM 1204 N THR A 169 18.811 1.823 -6.382 1.00 53.43 N ATOM 1205 CA THR A 169 18.171 2.375 -7.558 1.00 34.13 C ATOM 1206 C THR A 169 17.755 1.276 -8.526 1.00 22.42 C ATOM 1207 O THR A 169 18.582 0.716 -9.244 1.00 52.33 O ATOM 1208 CB THR A 169 19.095 3.377 -8.271 1.00 75.15 C ATOM 1209 OG1 THR A 169 19.652 4.282 -7.306 1.00 23.03 O ATOM 1210 CG2 THR A 169 18.328 4.168 -9.320 1.00 71.30 C ATOM 0 H THR A 169 19.673 1.309 -6.562 1.00 53.43 H new ATOM 0 HA THR A 169 17.276 2.900 -7.224 1.00 34.13 H new ATOM 0 HB THR A 169 19.892 2.822 -8.767 1.00 75.15 H new ATOM 0 HG1 THR A 169 20.242 4.920 -7.759 1.00 23.03 H new ATOM 0 HG21 THR A 169 19.002 4.870 -9.811 1.00 71.30 H new ATOM 0 HG22 THR A 169 17.914 3.484 -10.061 1.00 71.30 H new ATOM 0 HG23 THR A 169 17.518 4.718 -8.841 1.00 71.30 H new ATOM 1218 N VAL A 170 16.471 0.961 -8.522 1.00 11.40 N ATOM 1219 CA VAL A 170 15.923 -0.035 -9.426 1.00 65.54 C ATOM 1220 C VAL A 170 15.018 0.644 -10.441 1.00 51.40 C ATOM 1221 O VAL A 170 14.164 1.445 -10.062 1.00 4.33 O ATOM 1222 CB VAL A 170 15.115 -1.111 -8.671 1.00 33.52 C ATOM 1223 CG1 VAL A 170 14.617 -2.179 -9.631 1.00 61.14 C ATOM 1224 CG2 VAL A 170 15.944 -1.736 -7.560 1.00 10.05 C ATOM 0 H VAL A 170 15.784 1.384 -7.898 1.00 11.40 H new ATOM 0 HA VAL A 170 16.758 -0.525 -9.926 1.00 65.54 H new ATOM 0 HB VAL A 170 14.251 -0.626 -8.216 1.00 33.52 H new ATOM 0 HG11 VAL A 170 14.050 -2.928 -9.079 1.00 61.14 H new ATOM 0 HG12 VAL A 170 13.976 -1.721 -10.384 1.00 61.14 H new ATOM 0 HG13 VAL A 170 15.468 -2.655 -10.119 1.00 61.14 H new ATOM 0 HG21 VAL A 170 15.351 -2.491 -7.044 1.00 10.05 H new ATOM 0 HG22 VAL A 170 16.832 -2.202 -7.987 1.00 10.05 H new ATOM 0 HG23 VAL A 170 16.244 -0.964 -6.852 1.00 10.05 H new ATOM 1234 N ASN A 171 15.229 0.348 -11.724 1.00 71.53 N ATOM 1235 CA ASN A 171 14.422 0.930 -12.802 1.00 73.34 C ATOM 1236 C ASN A 171 14.595 2.454 -12.838 1.00 73.30 C ATOM 1237 O ASN A 171 13.748 3.188 -13.349 1.00 11.14 O ATOM 1238 CB ASN A 171 12.943 0.547 -12.615 1.00 50.50 C ATOM 1239 CG ASN A 171 12.051 0.945 -13.781 1.00 1.10 C ATOM 1240 OD1 ASN A 171 10.874 1.257 -13.589 1.00 44.41 O ATOM 1241 ND2 ASN A 171 12.591 0.924 -14.991 1.00 61.21 N ATOM 0 H ASN A 171 15.954 -0.294 -12.045 1.00 71.53 H new ATOM 0 HA ASN A 171 14.764 0.531 -13.757 1.00 73.34 H new ATOM 0 HB2 ASN A 171 12.873 -0.531 -12.468 1.00 50.50 H new ATOM 0 HB3 ASN A 171 12.568 1.018 -11.706 1.00 50.50 H new ATOM 0 HD21 ASN A 171 12.028 1.172 -15.805 1.00 61.21 H new ATOM 0 HD22 ASN A 171 13.569 0.660 -15.108 1.00 61.21 H new ATOM 1248 N GLY A 172 15.717 2.922 -12.304 1.00 2.24 N ATOM 1249 CA GLY A 172 15.976 4.348 -12.246 1.00 33.24 C ATOM 1250 C GLY A 172 15.219 5.030 -11.122 1.00 2.40 C ATOM 1251 O GLY A 172 15.165 6.259 -11.052 1.00 15.40 O ATOM 0 H GLY A 172 16.454 2.337 -11.909 1.00 2.24 H new ATOM 0 HA2 GLY A 172 17.045 4.515 -12.114 1.00 33.24 H new ATOM 0 HA3 GLY A 172 15.698 4.804 -13.196 1.00 33.24 H new ATOM 1255 N HIS A 173 14.635 4.235 -10.239 1.00 24.44 N ATOM 1256 CA HIS A 173 13.862 4.763 -9.125 1.00 70.54 C ATOM 1257 C HIS A 173 14.575 4.491 -7.802 1.00 52.50 C ATOM 1258 O HIS A 173 15.101 3.398 -7.579 1.00 64.45 O ATOM 1259 CB HIS A 173 12.460 4.140 -9.122 1.00 33.51 C ATOM 1260 CG HIS A 173 11.517 4.749 -8.128 1.00 21.22 C ATOM 1261 ND1 HIS A 173 11.136 4.072 -6.999 1.00 40.30 N ATOM 1262 CD2 HIS A 173 10.899 5.955 -8.152 1.00 41.33 C ATOM 1263 CE1 HIS A 173 10.301 4.871 -6.360 1.00 63.23 C ATOM 1264 NE2 HIS A 173 10.126 6.023 -7.021 1.00 34.40 N ATOM 0 H HIS A 173 14.682 3.217 -10.273 1.00 24.44 H new ATOM 0 HA HIS A 173 13.766 5.842 -9.242 1.00 70.54 H new ATOM 0 HB2 HIS A 173 12.030 4.236 -10.119 1.00 33.51 H new ATOM 0 HB3 HIS A 173 12.549 3.074 -8.915 1.00 33.51 H new ATOM 0 HD2 HIS A 173 10.996 6.715 -8.913 1.00 41.33 H new ATOM 0 HE1 HIS A 173 9.821 4.627 -5.424 1.00 63.23 H new ATOM 0 HE2 HIS A 173 9.532 6.802 -6.737 1.00 34.40 H new ATOM 1272 N ASN A 174 14.618 5.505 -6.947 1.00 33.21 N ATOM 1273 CA ASN A 174 15.213 5.379 -5.619 1.00 0.10 C ATOM 1274 C ASN A 174 14.289 4.597 -4.694 1.00 15.02 C ATOM 1275 O ASN A 174 13.187 5.050 -4.376 1.00 15.12 O ATOM 1276 CB ASN A 174 15.487 6.767 -5.028 1.00 35.55 C ATOM 1277 CG ASN A 174 16.037 6.713 -3.611 1.00 3.23 C ATOM 1278 OD1 ASN A 174 15.283 6.688 -2.637 1.00 14.25 O ATOM 1279 ND2 ASN A 174 17.352 6.722 -3.484 1.00 42.52 N ATOM 0 H ASN A 174 14.245 6.432 -7.151 1.00 33.21 H new ATOM 0 HA ASN A 174 16.155 4.839 -5.713 1.00 0.10 H new ATOM 0 HB2 ASN A 174 16.196 7.294 -5.667 1.00 35.55 H new ATOM 0 HB3 ASN A 174 14.563 7.346 -5.031 1.00 35.55 H new ATOM 0 HD21 ASN A 174 17.775 6.708 -2.556 1.00 42.52 H new ATOM 0 HD22 ASN A 174 17.944 6.743 -4.314 1.00 42.52 H new ATOM 1286 N CYS A 175 14.737 3.428 -4.265 1.00 61.14 N ATOM 1287 CA CYS A 175 13.943 2.583 -3.394 1.00 34.11 C ATOM 1288 C CYS A 175 14.724 2.206 -2.140 1.00 63.05 C ATOM 1289 O CYS A 175 15.932 2.436 -2.052 1.00 30.34 O ATOM 1290 CB CYS A 175 13.511 1.323 -4.144 1.00 72.30 C ATOM 1291 SG CYS A 175 14.885 0.330 -4.773 1.00 40.15 S ATOM 0 H CYS A 175 15.650 3.044 -4.508 1.00 61.14 H new ATOM 0 HA CYS A 175 13.058 3.140 -3.088 1.00 34.11 H new ATOM 0 HB2 CYS A 175 12.906 0.707 -3.479 1.00 72.30 H new ATOM 0 HB3 CYS A 175 12.873 1.611 -4.979 1.00 72.30 H new ATOM 0 HG CYS A 175 15.888 1.107 -5.056 1.00 40.15 H new ATOM 1297 N GLU A 176 14.026 1.626 -1.177 1.00 42.34 N ATOM 1298 CA GLU A 176 14.636 1.173 0.062 1.00 44.00 C ATOM 1299 C GLU A 176 14.673 -0.351 0.085 1.00 13.04 C ATOM 1300 O GLU A 176 13.651 -1.003 -0.137 1.00 52.21 O ATOM 1301 CB GLU A 176 13.837 1.704 1.255 1.00 71.02 C ATOM 1302 CG GLU A 176 14.246 1.115 2.596 1.00 45.41 C ATOM 1303 CD GLU A 176 13.170 1.266 3.653 1.00 54.01 C ATOM 1304 OE1 GLU A 176 13.188 2.271 4.393 1.00 60.32 O ATOM 1305 OE2 GLU A 176 12.309 0.374 3.752 1.00 62.10 O ATOM 0 H GLU A 176 13.022 1.456 -1.232 1.00 42.34 H new ATOM 0 HA GLU A 176 15.656 1.552 0.127 1.00 44.00 H new ATOM 0 HB2 GLU A 176 13.949 2.787 1.298 1.00 71.02 H new ATOM 0 HB3 GLU A 176 12.779 1.499 1.089 1.00 71.02 H new ATOM 0 HG2 GLU A 176 14.478 0.058 2.468 1.00 45.41 H new ATOM 0 HG3 GLU A 176 15.158 1.603 2.940 1.00 45.41 H new ATOM 1312 N VAL A 177 15.843 -0.922 0.328 1.00 30.21 N ATOM 1313 CA VAL A 177 15.957 -2.369 0.384 1.00 20.15 C ATOM 1314 C VAL A 177 16.409 -2.817 1.770 1.00 11.32 C ATOM 1315 O VAL A 177 17.172 -2.122 2.446 1.00 73.01 O ATOM 1316 CB VAL A 177 16.911 -2.942 -0.697 1.00 45.21 C ATOM 1317 CG1 VAL A 177 16.754 -2.197 -2.014 1.00 11.11 C ATOM 1318 CG2 VAL A 177 18.355 -2.941 -0.228 1.00 12.20 C ATOM 0 H VAL A 177 16.713 -0.414 0.487 1.00 30.21 H new ATOM 0 HA VAL A 177 14.963 -2.766 0.177 1.00 20.15 H new ATOM 0 HB VAL A 177 16.629 -3.981 -0.866 1.00 45.21 H new ATOM 0 HG11 VAL A 177 17.434 -2.619 -2.754 1.00 11.11 H new ATOM 0 HG12 VAL A 177 15.727 -2.295 -2.367 1.00 11.11 H new ATOM 0 HG13 VAL A 177 16.988 -1.143 -1.866 1.00 11.11 H new ATOM 0 HG21 VAL A 177 18.993 -3.349 -1.012 1.00 12.20 H new ATOM 0 HG22 VAL A 177 18.664 -1.920 -0.004 1.00 12.20 H new ATOM 0 HG23 VAL A 177 18.447 -3.553 0.669 1.00 12.20 H new ATOM 1328 N ARG A 178 15.903 -3.957 2.205 1.00 34.40 N ATOM 1329 CA ARG A 178 16.259 -4.513 3.500 1.00 1.45 C ATOM 1330 C ARG A 178 16.594 -5.987 3.353 1.00 13.23 C ATOM 1331 O ARG A 178 16.546 -6.540 2.253 1.00 61.13 O ATOM 1332 CB ARG A 178 15.096 -4.377 4.487 1.00 42.32 C ATOM 1333 CG ARG A 178 14.353 -3.057 4.407 1.00 43.44 C ATOM 1334 CD ARG A 178 13.287 -2.967 5.481 1.00 53.11 C ATOM 1335 NE ARG A 178 12.475 -1.763 5.351 1.00 54.02 N ATOM 1336 CZ ARG A 178 11.615 -1.341 6.272 1.00 33.05 C ATOM 1337 NH1 ARG A 178 11.480 -1.999 7.417 1.00 61.15 N ATOM 1338 NH2 ARG A 178 10.906 -0.245 6.046 1.00 43.03 N ATOM 0 H ARG A 178 15.238 -4.521 1.675 1.00 34.40 H new ATOM 0 HA ARG A 178 17.121 -3.964 3.878 1.00 1.45 H new ATOM 0 HB2 ARG A 178 14.390 -5.188 4.310 1.00 42.32 H new ATOM 0 HB3 ARG A 178 15.479 -4.503 5.500 1.00 42.32 H new ATOM 0 HG2 ARG A 178 15.057 -2.232 4.518 1.00 43.44 H new ATOM 0 HG3 ARG A 178 13.893 -2.953 3.424 1.00 43.44 H new ATOM 0 HD2 ARG A 178 12.643 -3.845 5.426 1.00 53.11 H new ATOM 0 HD3 ARG A 178 13.761 -2.980 6.463 1.00 53.11 H new ATOM 0 HE ARG A 178 12.573 -1.210 4.500 1.00 54.02 H new ATOM 0 HH11 ARG A 178 12.038 -2.834 7.594 1.00 61.15 H new ATOM 0 HH12 ARG A 178 10.818 -1.670 8.120 1.00 61.15 H new ATOM 0 HH21 ARG A 178 11.023 0.267 5.171 1.00 43.03 H new ATOM 0 HH22 ARG A 178 10.243 0.087 6.747 1.00 43.03 H new ATOM 1352 N LYS A 179 16.924 -6.620 4.466 1.00 51.44 N ATOM 1353 CA LYS A 179 17.071 -8.062 4.499 1.00 62.23 C ATOM 1354 C LYS A 179 15.684 -8.672 4.629 1.00 11.13 C ATOM 1355 O LYS A 179 14.972 -8.386 5.592 1.00 50.20 O ATOM 1356 CB LYS A 179 17.956 -8.487 5.676 1.00 64.14 C ATOM 1357 CG LYS A 179 19.234 -7.671 5.797 1.00 41.44 C ATOM 1358 CD LYS A 179 20.187 -8.239 6.837 1.00 71.45 C ATOM 1359 CE LYS A 179 20.688 -9.615 6.436 1.00 20.44 C ATOM 1360 NZ LYS A 179 21.794 -10.083 7.309 1.00 72.41 N ATOM 0 H LYS A 179 17.095 -6.156 5.358 1.00 51.44 H new ATOM 0 HA LYS A 179 17.551 -8.410 3.584 1.00 62.23 H new ATOM 0 HB2 LYS A 179 17.386 -8.395 6.601 1.00 64.14 H new ATOM 0 HB3 LYS A 179 18.215 -9.540 5.564 1.00 64.14 H new ATOM 0 HG2 LYS A 179 19.734 -7.638 4.829 1.00 41.44 H new ATOM 0 HG3 LYS A 179 18.983 -6.644 6.061 1.00 41.44 H new ATOM 0 HD2 LYS A 179 21.034 -7.564 6.964 1.00 71.45 H new ATOM 0 HD3 LYS A 179 19.682 -8.301 7.801 1.00 71.45 H new ATOM 0 HE2 LYS A 179 19.864 -10.328 6.482 1.00 20.44 H new ATOM 0 HE3 LYS A 179 21.030 -9.589 5.401 1.00 20.44 H new ATOM 0 HZ1 LYS A 179 22.105 -11.026 7.000 1.00 72.41 H new ATOM 0 HZ2 LYS A 179 22.591 -9.418 7.247 1.00 72.41 H new ATOM 0 HZ3 LYS A 179 21.462 -10.134 8.293 1.00 72.41 H new ATOM 1374 N ALA A 180 15.284 -9.472 3.648 1.00 32.14 N ATOM 1375 CA ALA A 180 13.935 -10.022 3.628 1.00 62.30 C ATOM 1376 C ALA A 180 13.740 -11.062 4.722 1.00 22.13 C ATOM 1377 O ALA A 180 14.082 -12.229 4.551 1.00 74.25 O ATOM 1378 CB ALA A 180 13.610 -10.617 2.267 1.00 3.14 C ATOM 0 H ALA A 180 15.870 -9.753 2.862 1.00 32.14 H new ATOM 0 HA ALA A 180 13.246 -9.200 3.820 1.00 62.30 H new ATOM 0 HB1 ALA A 180 12.598 -11.021 2.279 1.00 3.14 H new ATOM 0 HB2 ALA A 180 13.683 -9.842 1.504 1.00 3.14 H new ATOM 0 HB3 ALA A 180 14.316 -11.416 2.041 1.00 3.14 H new ATOM 1384 N LEU A 181 13.209 -10.623 5.852 1.00 54.40 N ATOM 1385 CA LEU A 181 12.883 -11.534 6.934 1.00 40.41 C ATOM 1386 C LEU A 181 11.433 -11.973 6.804 1.00 42.12 C ATOM 1387 O LEU A 181 10.582 -11.198 6.364 1.00 71.55 O ATOM 1388 CB LEU A 181 13.130 -10.893 8.311 1.00 64.41 C ATOM 1389 CG LEU A 181 12.107 -9.855 8.792 1.00 24.22 C ATOM 1390 CD1 LEU A 181 12.376 -9.494 10.242 1.00 35.14 C ATOM 1391 CD2 LEU A 181 12.142 -8.603 7.934 1.00 60.40 C ATOM 0 H LEU A 181 12.996 -9.644 6.042 1.00 54.40 H new ATOM 0 HA LEU A 181 13.537 -12.403 6.860 1.00 40.41 H new ATOM 0 HB2 LEU A 181 13.177 -11.691 9.052 1.00 64.41 H new ATOM 0 HB3 LEU A 181 14.111 -10.418 8.292 1.00 64.41 H new ATOM 0 HG LEU A 181 11.115 -10.297 8.704 1.00 24.22 H new ATOM 0 HD11 LEU A 181 11.645 -8.757 10.575 1.00 35.14 H new ATOM 0 HD12 LEU A 181 12.297 -10.388 10.860 1.00 35.14 H new ATOM 0 HD13 LEU A 181 13.379 -9.077 10.333 1.00 35.14 H new ATOM 0 HD21 LEU A 181 11.405 -7.889 8.302 1.00 60.40 H new ATOM 0 HD22 LEU A 181 13.135 -8.157 7.982 1.00 60.40 H new ATOM 0 HD23 LEU A 181 11.910 -8.863 6.901 1.00 60.40 H new ATOM 1403 N SER A 182 11.166 -13.217 7.166 1.00 25.14 N ATOM 1404 CA SER A 182 9.830 -13.784 7.069 1.00 41.11 C ATOM 1405 C SER A 182 8.810 -12.907 7.794 1.00 52.34 C ATOM 1406 O SER A 182 9.111 -12.346 8.848 1.00 14.14 O ATOM 1407 CB SER A 182 9.843 -15.184 7.677 1.00 13.23 C ATOM 1408 OG SER A 182 10.943 -15.933 7.188 1.00 33.43 O ATOM 0 H SER A 182 11.866 -13.861 7.534 1.00 25.14 H new ATOM 0 HA SER A 182 9.540 -13.836 6.020 1.00 41.11 H new ATOM 0 HB2 SER A 182 9.899 -15.114 8.763 1.00 13.23 H new ATOM 0 HB3 SER A 182 8.912 -15.698 7.438 1.00 13.23 H new ATOM 0 HG SER A 182 11.610 -16.036 7.898 1.00 33.43 H new ATOM 1414 N LYS A 183 7.606 -12.789 7.233 1.00 42.23 N ATOM 1415 CA LYS A 183 6.542 -12.016 7.875 1.00 21.24 C ATOM 1416 C LYS A 183 6.216 -12.594 9.253 1.00 42.14 C ATOM 1417 O LYS A 183 5.686 -11.901 10.124 1.00 73.14 O ATOM 1418 CB LYS A 183 5.283 -11.953 6.995 1.00 54.05 C ATOM 1419 CG LYS A 183 4.878 -13.276 6.370 1.00 30.41 C ATOM 1420 CD LYS A 183 3.508 -13.176 5.718 1.00 51.33 C ATOM 1421 CE LYS A 183 3.137 -14.444 4.965 1.00 35.04 C ATOM 1422 NZ LYS A 183 2.975 -15.621 5.860 1.00 24.25 N ATOM 0 H LYS A 183 7.344 -13.214 6.344 1.00 42.23 H new ATOM 0 HA LYS A 183 6.902 -10.995 8.005 1.00 21.24 H new ATOM 0 HB2 LYS A 183 4.454 -11.582 7.597 1.00 54.05 H new ATOM 0 HB3 LYS A 183 5.449 -11.227 6.199 1.00 54.05 H new ATOM 0 HG2 LYS A 183 5.618 -13.572 5.626 1.00 30.41 H new ATOM 0 HG3 LYS A 183 4.865 -14.054 7.134 1.00 30.41 H new ATOM 0 HD2 LYS A 183 2.757 -12.977 6.483 1.00 51.33 H new ATOM 0 HD3 LYS A 183 3.495 -12.330 5.031 1.00 51.33 H new ATOM 0 HE2 LYS A 183 2.208 -14.278 4.419 1.00 35.04 H new ATOM 0 HE3 LYS A 183 3.907 -14.660 4.225 1.00 35.04 H new ATOM 0 HZ1 LYS A 183 2.690 -16.448 5.298 1.00 24.25 H new ATOM 0 HZ2 LYS A 183 3.877 -15.821 6.337 1.00 24.25 H new ATOM 0 HZ3 LYS A 183 2.245 -15.418 6.572 1.00 24.25 H new ATOM 1436 N GLN A 184 6.546 -13.866 9.437 1.00 12.33 N ATOM 1437 CA GLN A 184 6.470 -14.515 10.738 1.00 4.32 C ATOM 1438 C GLN A 184 7.455 -13.869 11.710 1.00 63.15 C ATOM 1439 O GLN A 184 7.083 -13.434 12.802 1.00 34.52 O ATOM 1440 CB GLN A 184 6.811 -15.996 10.583 1.00 71.30 C ATOM 1441 CG GLN A 184 6.667 -16.801 11.862 1.00 11.02 C ATOM 1442 CD GLN A 184 7.257 -18.189 11.730 1.00 63.51 C ATOM 1443 OE1 GLN A 184 6.578 -19.129 11.324 1.00 54.21 O ATOM 1444 NE2 GLN A 184 8.526 -18.324 12.076 1.00 75.24 N ATOM 0 H GLN A 184 6.874 -14.476 8.688 1.00 12.33 H new ATOM 0 HA GLN A 184 5.460 -14.404 11.132 1.00 4.32 H new ATOM 0 HB2 GLN A 184 6.165 -16.429 9.819 1.00 71.30 H new ATOM 0 HB3 GLN A 184 7.836 -16.086 10.223 1.00 71.30 H new ATOM 0 HG2 GLN A 184 7.160 -16.274 12.679 1.00 11.02 H new ATOM 0 HG3 GLN A 184 5.612 -16.879 12.124 1.00 11.02 H new ATOM 0 HE21 GLN A 184 9.053 -17.516 12.408 1.00 75.24 H new ATOM 0 HE22 GLN A 184 8.978 -19.236 12.011 1.00 75.24 H new ATOM 1453 N GLU A 185 8.712 -13.794 11.282 1.00 44.30 N ATOM 1454 CA GLU A 185 9.793 -13.266 12.108 1.00 41.14 C ATOM 1455 C GLU A 185 9.626 -11.769 12.335 1.00 33.04 C ATOM 1456 O GLU A 185 9.825 -11.270 13.443 1.00 42.21 O ATOM 1457 CB GLU A 185 11.145 -13.527 11.437 1.00 31.43 C ATOM 1458 CG GLU A 185 11.411 -14.990 11.119 1.00 51.43 C ATOM 1459 CD GLU A 185 12.724 -15.196 10.389 1.00 24.41 C ATOM 1460 OE1 GLU A 185 12.703 -15.364 9.147 1.00 63.23 O ATOM 1461 OE2 GLU A 185 13.783 -15.186 11.051 1.00 21.33 O ATOM 0 H GLU A 185 9.009 -14.097 10.355 1.00 44.30 H new ATOM 0 HA GLU A 185 9.757 -13.774 13.072 1.00 41.14 H new ATOM 0 HB2 GLU A 185 11.197 -12.951 10.513 1.00 31.43 H new ATOM 0 HB3 GLU A 185 11.938 -13.158 12.088 1.00 31.43 H new ATOM 0 HG2 GLU A 185 11.420 -15.564 12.046 1.00 51.43 H new ATOM 0 HG3 GLU A 185 10.595 -15.380 10.510 1.00 51.43 H new ATOM 1468 N MET A 186 9.238 -11.063 11.281 1.00 3.15 N ATOM 1469 CA MET A 186 9.125 -9.610 11.334 1.00 55.20 C ATOM 1470 C MET A 186 7.979 -9.179 12.247 1.00 12.41 C ATOM 1471 O MET A 186 7.912 -8.026 12.670 1.00 3.25 O ATOM 1472 CB MET A 186 8.938 -9.035 9.927 1.00 0.41 C ATOM 1473 CG MET A 186 7.517 -9.118 9.401 1.00 22.25 C ATOM 1474 SD MET A 186 7.354 -8.451 7.737 1.00 32.22 S ATOM 1475 CE MET A 186 7.849 -6.751 8.008 1.00 45.33 C ATOM 0 H MET A 186 8.996 -11.472 10.379 1.00 3.15 H new ATOM 0 HA MET A 186 10.052 -9.215 11.751 1.00 55.20 H new ATOM 0 HB2 MET A 186 9.251 -7.991 9.929 1.00 0.41 H new ATOM 0 HB3 MET A 186 9.598 -9.564 9.240 1.00 0.41 H new ATOM 0 HG2 MET A 186 7.193 -10.159 9.405 1.00 22.25 H new ATOM 0 HG3 MET A 186 6.853 -8.575 10.073 1.00 22.25 H new ATOM 0 HE1 MET A 186 7.491 -6.132 7.185 1.00 45.33 H new ATOM 0 HE2 MET A 186 7.421 -6.392 8.944 1.00 45.33 H new ATOM 0 HE3 MET A 186 8.936 -6.692 8.060 1.00 45.33 H new