USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 369 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 29 ASN : amide:sc= -5.33! C(o=-5.2!,f=-7.6!) USER MOD Set 1.2: A 34 GLN : amide:sc= 0.157 X(o=-5.2,f=-5.5) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.64 X(o=-0.64,f=-0.15) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0069 USER MOD Single : A 18 SER OG : rot 180:sc= -0.463 USER MOD Single : A 20 THR OG1 : rot 15:sc= -0.157 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.011) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.76 USER MOD Single : A 30 SER OG : rot -91:sc= 0.563 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -3.07! C(o=-3.1!,f=-8.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 1.13 K(o=1.1,f=-0.12) USER MOD Single : A 48 ASN : amide:sc= 0.175 K(o=0.18,f=-0.83!) USER MOD Single : A 49 ASN : amide:sc= -2.11! C(o=-2.1!,f=-8.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00424 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0409 K(o=-0.041,f=-1.7!) USER MOD Single : A 58 GLN : amide:sc= -0.508 K(o=-0.51,f=-4.4!) USER MOD Single : A 59 THR OG1 : rot 118:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 9 4.396 9.728 -20.185 1.00 14.40 N ATOM 135 CA TYR A 9 5.164 10.934 -19.967 1.00 2.30 C ATOM 136 C TYR A 9 6.605 10.731 -20.272 1.00 54.40 C ATOM 137 O TYR A 9 7.151 11.504 -21.002 1.00 71.21 O ATOM 138 CB TYR A 9 4.989 11.411 -18.531 1.00 5.04 C ATOM 139 CG TYR A 9 3.593 11.848 -18.245 1.00 54.31 C ATOM 140 CD1 TYR A 9 2.788 12.253 -19.283 1.00 63.43 C ATOM 141 CD2 TYR A 9 3.080 11.861 -16.960 1.00 72.30 C ATOM 142 CE1 TYR A 9 1.497 12.668 -19.068 1.00 42.40 C ATOM 143 CE2 TYR A 9 1.786 12.276 -16.725 1.00 31.44 C ATOM 144 CZ TYR A 9 1.000 12.681 -17.785 1.00 13.25 C ATOM 145 OH TYR A 9 -0.294 13.106 -17.559 1.00 11.54 O ATOM 0 HA TYR A 9 4.789 11.697 -20.649 1.00 2.30 H new ATOM 0 HB2 TYR A 9 5.263 10.607 -17.848 1.00 5.04 H new ATOM 0 HB3 TYR A 9 5.672 12.238 -18.340 1.00 5.04 H new ATOM 0 HD1 TYR A 9 3.180 12.245 -20.290 1.00 63.43 H new ATOM 0 HD2 TYR A 9 3.699 11.543 -16.134 1.00 72.30 H new ATOM 0 HE1 TYR A 9 0.879 12.981 -19.896 1.00 42.40 H new ATOM 0 HE2 TYR A 9 1.391 12.284 -15.720 1.00 31.44 H new ATOM 0 HH TYR A 9 -0.493 13.054 -16.601 1.00 11.54 H new ATOM 155 N CYS A 10 7.196 9.637 -19.758 1.00 2.33 N ATOM 156 CA CYS A 10 8.574 9.306 -20.011 1.00 34.42 C ATOM 157 C CYS A 10 8.848 9.392 -21.513 1.00 54.12 C ATOM 158 O CYS A 10 9.740 10.088 -21.947 1.00 72.40 O ATOM 159 CB CYS A 10 8.805 7.849 -19.628 1.00 32.21 C ATOM 160 SG CYS A 10 8.610 7.495 -17.872 1.00 32.24 S ATOM 0 H CYS A 10 6.714 8.969 -19.157 1.00 2.33 H new ATOM 0 HA CYS A 10 9.211 9.987 -19.447 1.00 34.42 H new ATOM 0 HB2 CYS A 10 8.111 7.225 -20.190 1.00 32.21 H new ATOM 0 HB3 CYS A 10 9.811 7.562 -19.934 1.00 32.21 H new ATOM 165 N ASN A 11 7.963 8.833 -22.307 1.00 35.41 N ATOM 166 CA ASN A 11 8.220 8.687 -23.760 1.00 42.12 C ATOM 167 C ASN A 11 7.744 9.899 -24.555 1.00 60.24 C ATOM 168 O ASN A 11 7.796 9.898 -25.783 1.00 2.41 O ATOM 169 CB ASN A 11 7.604 7.454 -24.350 1.00 1.34 C ATOM 170 CG ASN A 11 8.019 6.167 -23.685 1.00 62.03 C ATOM 171 OD1 ASN A 11 7.450 5.764 -22.667 1.00 14.23 O ATOM 172 ND2 ASN A 11 8.922 5.467 -24.300 1.00 44.23 N ATOM 0 H ASN A 11 7.062 8.469 -21.996 1.00 35.41 H new ATOM 0 HA ASN A 11 9.304 8.602 -23.839 1.00 42.12 H new ATOM 0 HB2 ASN A 11 6.519 7.543 -24.294 1.00 1.34 H new ATOM 0 HB3 ASN A 11 7.866 7.403 -25.407 1.00 1.34 H new ATOM 0 HD21 ASN A 11 9.185 4.548 -23.944 1.00 44.23 H new ATOM 0 HD22 ASN A 11 9.369 5.836 -25.139 1.00 44.23 H new ATOM 179 N LEU A 12 7.231 10.898 -23.879 1.00 53.11 N ATOM 180 CA LEU A 12 6.656 12.067 -24.546 1.00 33.54 C ATOM 181 C LEU A 12 7.734 13.039 -25.072 1.00 44.53 C ATOM 182 O LEU A 12 8.873 13.041 -24.602 1.00 64.13 O ATOM 183 CB LEU A 12 5.640 12.785 -23.647 1.00 42.10 C ATOM 184 CG LEU A 12 4.361 12.023 -23.322 1.00 63.50 C ATOM 185 CD1 LEU A 12 3.420 12.914 -22.544 1.00 34.42 C ATOM 186 CD2 LEU A 12 3.687 11.533 -24.597 1.00 50.31 C ATOM 0 H LEU A 12 7.195 10.935 -22.860 1.00 53.11 H new ATOM 0 HA LEU A 12 6.121 11.695 -25.420 1.00 33.54 H new ATOM 0 HB2 LEU A 12 6.134 13.038 -22.709 1.00 42.10 H new ATOM 0 HB3 LEU A 12 5.365 13.725 -24.126 1.00 42.10 H new ATOM 0 HG LEU A 12 4.617 11.154 -22.716 1.00 63.50 H new ATOM 0 HD11 LEU A 12 2.507 12.365 -22.314 1.00 34.42 H new ATOM 0 HD12 LEU A 12 3.899 13.227 -21.616 1.00 34.42 H new ATOM 0 HD13 LEU A 12 3.175 13.793 -23.140 1.00 34.42 H new ATOM 0 HD21 LEU A 12 2.776 10.992 -24.342 1.00 50.31 H new ATOM 0 HD22 LEU A 12 3.438 12.386 -25.228 1.00 50.31 H new ATOM 0 HD23 LEU A 12 4.365 10.870 -25.135 1.00 50.31 H new ATOM 198 N PRO A 13 7.380 13.861 -26.083 1.00 3.54 N ATOM 199 CA PRO A 13 8.314 14.759 -26.751 1.00 12.33 C ATOM 200 C PRO A 13 8.737 16.023 -25.968 1.00 1.04 C ATOM 201 O PRO A 13 8.014 16.564 -25.117 1.00 33.44 O ATOM 202 CB PRO A 13 7.574 15.161 -28.042 1.00 52.51 C ATOM 203 CG PRO A 13 6.381 14.270 -28.109 1.00 31.12 C ATOM 204 CD PRO A 13 6.050 13.953 -26.697 1.00 53.01 C ATOM 0 HA PRO A 13 9.263 14.241 -26.893 1.00 12.33 H new ATOM 0 HB2 PRO A 13 7.280 16.210 -28.015 1.00 52.51 H new ATOM 0 HB3 PRO A 13 8.211 15.031 -28.917 1.00 52.51 H new ATOM 0 HG2 PRO A 13 5.547 14.765 -28.607 1.00 31.12 H new ATOM 0 HG3 PRO A 13 6.598 13.364 -28.675 1.00 31.12 H new ATOM 0 HD2 PRO A 13 5.441 14.731 -26.236 1.00 53.01 H new ATOM 0 HD3 PRO A 13 5.495 13.019 -26.608 1.00 53.01 H new ATOM 212 N ALA A 14 9.987 16.423 -26.320 1.00 2.12 N ATOM 213 CA ALA A 14 10.503 17.648 -25.800 1.00 34.54 C ATOM 214 C ALA A 14 9.713 18.716 -26.629 1.00 25.35 C ATOM 215 O ALA A 14 9.837 18.701 -27.870 1.00 52.14 O ATOM 216 CB ALA A 14 11.956 17.733 -26.141 1.00 74.43 C ATOM 0 H ALA A 14 10.613 15.912 -26.943 1.00 2.12 H new ATOM 0 HA ALA A 14 10.401 17.763 -24.721 1.00 34.54 H new ATOM 0 HB1 ALA A 14 12.367 18.664 -25.751 1.00 74.43 H new ATOM 0 HB2 ALA A 14 12.484 16.889 -25.697 1.00 74.43 H new ATOM 0 HB3 ALA A 14 12.078 17.708 -27.224 1.00 74.43 H new ATOM 222 N ASP A 15 8.937 19.596 -26.014 1.00 4.30 N ATOM 223 CA ASP A 15 8.290 20.704 -26.733 1.00 52.14 C ATOM 224 C ASP A 15 8.504 22.001 -26.022 1.00 20.11 C ATOM 225 O ASP A 15 8.155 22.174 -24.862 1.00 14.21 O ATOM 226 CB ASP A 15 6.817 20.508 -27.145 1.00 35.25 C ATOM 227 CG ASP A 15 6.587 19.457 -28.216 1.00 11.35 C ATOM 228 OD1 ASP A 15 6.736 19.787 -29.424 1.00 40.41 O ATOM 229 OD2 ASP A 15 6.236 18.306 -27.913 1.00 60.51 O ATOM 0 H ASP A 15 8.734 19.571 -25.015 1.00 4.30 H new ATOM 0 HA ASP A 15 8.803 20.721 -27.695 1.00 52.14 H new ATOM 0 HB2 ASP A 15 6.241 20.237 -26.261 1.00 35.25 H new ATOM 0 HB3 ASP A 15 6.425 21.461 -27.501 1.00 35.25 H new ATOM 234 N SER A 16 9.183 22.871 -26.687 1.00 20.23 N ATOM 235 CA SER A 16 9.650 24.065 -26.088 1.00 14.01 C ATOM 236 C SER A 16 8.601 25.216 -26.008 1.00 71.24 C ATOM 237 O SER A 16 8.553 25.947 -25.015 1.00 24.21 O ATOM 238 CB SER A 16 10.917 24.508 -26.761 1.00 31.25 C ATOM 239 OG SER A 16 10.735 24.650 -28.172 1.00 33.41 O ATOM 0 H SER A 16 9.430 22.769 -27.671 1.00 20.23 H new ATOM 0 HA SER A 16 9.852 23.824 -25.044 1.00 14.01 H new ATOM 0 HB2 SER A 16 11.243 25.458 -26.337 1.00 31.25 H new ATOM 0 HB3 SER A 16 11.707 23.783 -26.565 1.00 31.25 H new ATOM 0 HG SER A 16 11.576 24.941 -28.583 1.00 33.41 H new ATOM 245 N GLY A 17 7.716 25.314 -26.988 1.00 53.02 N ATOM 246 CA GLY A 17 6.793 26.453 -27.032 1.00 22.22 C ATOM 247 C GLY A 17 7.501 27.729 -27.517 1.00 72.45 C ATOM 248 O GLY A 17 8.628 27.720 -28.007 1.00 44.43 O ATOM 0 H GLY A 17 7.612 24.642 -27.748 1.00 53.02 H new ATOM 0 HA2 GLY A 17 5.960 26.223 -27.696 1.00 22.22 H new ATOM 0 HA3 GLY A 17 6.374 26.622 -26.040 1.00 22.22 H new ATOM 252 N SER A 18 6.748 28.814 -27.344 1.00 52.31 N ATOM 253 CA SER A 18 7.205 30.096 -27.957 1.00 4.34 C ATOM 254 C SER A 18 8.015 30.905 -26.946 1.00 50.03 C ATOM 255 O SER A 18 8.525 32.006 -27.208 1.00 60.21 O ATOM 256 CB SER A 18 6.013 30.884 -28.477 1.00 14.31 C ATOM 257 OG SER A 18 5.057 31.068 -27.446 1.00 74.55 O ATOM 0 H SER A 18 5.872 28.854 -26.823 1.00 52.31 H new ATOM 0 HA SER A 18 7.854 29.877 -28.805 1.00 4.34 H new ATOM 0 HB2 SER A 18 6.344 31.852 -28.852 1.00 14.31 H new ATOM 0 HB3 SER A 18 5.557 30.356 -29.315 1.00 14.31 H new ATOM 0 HG SER A 18 4.296 31.578 -27.793 1.00 74.55 H new ATOM 263 N GLY A 19 8.156 30.264 -25.850 1.00 65.32 N ATOM 264 CA GLY A 19 9.051 30.754 -24.882 1.00 4.51 C ATOM 265 C GLY A 19 8.476 31.677 -23.877 1.00 25.45 C ATOM 266 O GLY A 19 7.601 32.494 -24.152 1.00 43.21 O ATOM 0 H GLY A 19 7.666 29.404 -25.603 1.00 65.32 H new ATOM 0 HA2 GLY A 19 9.490 29.905 -24.358 1.00 4.51 H new ATOM 0 HA3 GLY A 19 9.865 31.267 -25.394 1.00 4.51 H new ATOM 270 N THR A 20 8.923 31.473 -22.706 1.00 75.42 N ATOM 271 CA THR A 20 8.703 32.253 -21.555 1.00 72.44 C ATOM 272 C THR A 20 9.832 32.024 -20.548 1.00 60.41 C ATOM 273 O THR A 20 10.509 32.967 -20.137 1.00 21.43 O ATOM 274 CB THR A 20 7.270 31.999 -21.019 1.00 41.40 C ATOM 275 OG1 THR A 20 6.170 32.469 -21.769 1.00 73.25 O ATOM 276 CG2 THR A 20 7.006 30.546 -20.577 1.00 62.34 C ATOM 0 H THR A 20 9.517 30.668 -22.506 1.00 75.42 H new ATOM 0 HA THR A 20 8.740 33.318 -21.783 1.00 72.44 H new ATOM 0 HB THR A 20 7.309 32.656 -20.150 1.00 41.40 H new ATOM 0 HG1 THR A 20 6.467 32.707 -22.672 1.00 73.25 H new ATOM 0 HG21 THR A 20 5.981 30.456 -20.216 1.00 62.34 H new ATOM 0 HG22 THR A 20 7.153 29.876 -21.424 1.00 62.34 H new ATOM 0 HG23 THR A 20 7.697 30.278 -19.778 1.00 62.34 H new ATOM 284 N LYS A 21 10.023 30.817 -20.161 1.00 3.42 N ATOM 285 CA LYS A 21 11.144 30.493 -19.328 1.00 24.01 C ATOM 286 C LYS A 21 12.024 29.540 -20.108 1.00 63.55 C ATOM 287 O LYS A 21 11.719 28.371 -20.186 1.00 62.01 O ATOM 288 CB LYS A 21 10.686 29.820 -18.042 1.00 64.42 C ATOM 289 CG LYS A 21 9.842 30.691 -17.129 1.00 11.41 C ATOM 290 CD LYS A 21 9.444 29.923 -15.883 1.00 31.33 C ATOM 291 CE LYS A 21 10.668 29.419 -15.139 1.00 52.12 C ATOM 292 NZ LYS A 21 10.311 28.558 -14.009 1.00 74.40 N ATOM 0 H LYS A 21 9.422 30.029 -20.403 1.00 3.42 H new ATOM 0 HA LYS A 21 11.683 31.401 -19.058 1.00 24.01 H new ATOM 0 HB2 LYS A 21 10.114 28.928 -18.300 1.00 64.42 H new ATOM 0 HB3 LYS A 21 11.565 29.487 -17.491 1.00 64.42 H new ATOM 0 HG2 LYS A 21 10.401 31.584 -16.850 1.00 11.41 H new ATOM 0 HG3 LYS A 21 8.950 31.025 -17.658 1.00 11.41 H new ATOM 0 HD2 LYS A 21 8.855 30.565 -15.228 1.00 31.33 H new ATOM 0 HD3 LYS A 21 8.809 29.081 -16.158 1.00 31.33 H new ATOM 0 HE2 LYS A 21 11.308 28.866 -15.827 1.00 52.12 H new ATOM 0 HE3 LYS A 21 11.247 30.269 -14.778 1.00 52.12 H new ATOM 0 HZ1 LYS A 21 11.177 28.237 -13.530 1.00 74.40 H new ATOM 0 HZ2 LYS A 21 9.722 29.092 -13.338 1.00 74.40 H new ATOM 0 HZ3 LYS A 21 9.781 27.733 -14.355 1.00 74.40 H new ATOM 306 N PRO A 22 13.105 30.032 -20.718 1.00 74.02 N ATOM 307 CA PRO A 22 13.999 29.204 -21.500 1.00 63.52 C ATOM 308 C PRO A 22 15.028 28.561 -20.604 1.00 25.11 C ATOM 309 O PRO A 22 15.950 29.229 -20.105 1.00 54.44 O ATOM 310 CB PRO A 22 14.667 30.192 -22.465 1.00 61.40 C ATOM 311 CG PRO A 22 14.451 31.561 -21.885 1.00 52.13 C ATOM 312 CD PRO A 22 13.555 31.420 -20.675 1.00 23.35 C ATOM 0 HA PRO A 22 13.486 28.394 -22.018 1.00 63.52 H new ATOM 0 HB2 PRO A 22 15.731 29.977 -22.567 1.00 61.40 H new ATOM 0 HB3 PRO A 22 14.230 30.118 -23.461 1.00 61.40 H new ATOM 0 HG2 PRO A 22 15.403 32.010 -21.604 1.00 52.13 H new ATOM 0 HG3 PRO A 22 13.994 32.220 -22.623 1.00 52.13 H new ATOM 0 HD2 PRO A 22 14.095 31.634 -19.753 1.00 23.35 H new ATOM 0 HD3 PRO A 22 12.714 32.112 -20.720 1.00 23.35 H new ATOM 320 N GLU A 23 14.906 27.294 -20.401 1.00 63.43 N ATOM 321 CA GLU A 23 15.748 26.595 -19.490 1.00 31.44 C ATOM 322 C GLU A 23 16.169 25.296 -20.129 1.00 15.13 C ATOM 323 O GLU A 23 15.631 24.902 -21.179 1.00 75.33 O ATOM 324 CB GLU A 23 14.971 26.302 -18.192 1.00 14.33 C ATOM 325 CG GLU A 23 14.483 27.545 -17.460 1.00 15.25 C ATOM 326 CD GLU A 23 13.817 27.234 -16.156 1.00 70.10 C ATOM 327 OE1 GLU A 23 14.520 27.138 -15.123 1.00 71.42 O ATOM 328 OE2 GLU A 23 12.598 27.083 -16.121 1.00 34.13 O ATOM 0 H GLU A 23 14.213 26.708 -20.867 1.00 63.43 H new ATOM 0 HA GLU A 23 16.625 27.197 -19.252 1.00 31.44 H new ATOM 0 HB2 GLU A 23 14.112 25.674 -18.430 1.00 14.33 H new ATOM 0 HB3 GLU A 23 15.610 25.727 -17.522 1.00 14.33 H new ATOM 0 HG2 GLU A 23 15.328 28.209 -17.280 1.00 15.25 H new ATOM 0 HG3 GLU A 23 13.784 28.085 -18.099 1.00 15.25 H new ATOM 335 N GLN A 24 17.111 24.644 -19.512 1.00 35.34 N ATOM 336 CA GLN A 24 17.428 23.308 -19.878 1.00 21.44 C ATOM 337 C GLN A 24 16.492 22.479 -19.103 1.00 52.23 C ATOM 338 O GLN A 24 16.322 22.731 -17.914 1.00 70.02 O ATOM 339 CB GLN A 24 18.855 22.902 -19.576 1.00 30.22 C ATOM 340 CG GLN A 24 19.892 23.651 -20.354 1.00 14.55 C ATOM 341 CD GLN A 24 20.303 24.968 -19.717 1.00 20.35 C ATOM 342 OE1 GLN A 24 21.226 25.010 -18.899 1.00 32.54 O ATOM 343 NE2 GLN A 24 19.671 26.044 -20.109 1.00 12.12 N ATOM 0 H GLN A 24 17.672 25.024 -18.750 1.00 35.34 H new ATOM 0 HA GLN A 24 17.337 23.189 -20.958 1.00 21.44 H new ATOM 0 HB2 GLN A 24 19.043 23.046 -18.512 1.00 30.22 H new ATOM 0 HB3 GLN A 24 18.967 21.837 -19.778 1.00 30.22 H new ATOM 0 HG2 GLN A 24 20.774 23.021 -20.466 1.00 14.55 H new ATOM 0 HG3 GLN A 24 19.511 23.846 -21.356 1.00 14.55 H new ATOM 0 HE21 GLN A 24 18.912 25.971 -20.787 1.00 12.12 H new ATOM 0 HE22 GLN A 24 19.937 26.956 -19.737 1.00 12.12 H new ATOM 352 N ARG A 25 15.930 21.494 -19.688 1.00 44.41 N ATOM 353 CA ARG A 25 15.090 20.551 -18.979 1.00 72.30 C ATOM 354 C ARG A 25 15.394 19.223 -19.471 1.00 22.21 C ATOM 355 O ARG A 25 16.199 19.106 -20.350 1.00 63.30 O ATOM 356 CB ARG A 25 13.642 20.818 -19.152 1.00 41.31 C ATOM 357 CG ARG A 25 13.173 22.140 -18.520 1.00 61.43 C ATOM 358 CD ARG A 25 13.548 22.168 -17.053 1.00 43.53 C ATOM 359 NE ARG A 25 13.000 23.302 -16.302 1.00 70.31 N ATOM 360 CZ ARG A 25 13.301 23.577 -15.019 1.00 74.30 C ATOM 361 NH1 ARG A 25 14.288 22.923 -14.390 1.00 2.45 N ATOM 362 NH2 ARG A 25 12.668 24.544 -14.401 1.00 3.44 N ATOM 0 H ARG A 25 16.028 21.298 -20.684 1.00 44.41 H new ATOM 0 HA ARG A 25 15.300 20.647 -17.914 1.00 72.30 H new ATOM 0 HB2 ARG A 25 13.410 20.833 -20.217 1.00 41.31 H new ATOM 0 HB3 ARG A 25 13.076 19.996 -18.714 1.00 41.31 H new ATOM 0 HG2 ARG A 25 13.630 22.983 -19.038 1.00 61.43 H new ATOM 0 HG3 ARG A 25 12.094 22.244 -18.631 1.00 61.43 H new ATOM 0 HD2 ARG A 25 13.208 21.243 -16.587 1.00 43.53 H new ATOM 0 HD3 ARG A 25 14.635 22.186 -16.970 1.00 43.53 H new ATOM 0 HE ARG A 25 12.349 23.923 -16.783 1.00 70.31 H new ATOM 0 HH11 ARG A 25 14.821 22.207 -14.884 1.00 2.45 H new ATOM 0 HH12 ARG A 25 14.506 23.141 -13.418 1.00 2.45 H new ATOM 0 HH21 ARG A 25 11.954 25.081 -14.892 1.00 3.44 H new ATOM 0 HH22 ARG A 25 12.890 24.759 -13.429 1.00 3.44 H new ATOM 376 N ILE A 26 14.755 18.218 -18.956 1.00 1.13 N ATOM 377 CA ILE A 26 15.166 16.896 -19.262 1.00 14.13 C ATOM 378 C ILE A 26 13.981 15.942 -19.509 1.00 11.45 C ATOM 379 O ILE A 26 13.034 15.963 -18.781 1.00 35.14 O ATOM 380 CB ILE A 26 15.906 16.321 -18.033 1.00 0.11 C ATOM 381 CG1 ILE A 26 17.047 17.222 -17.567 1.00 11.33 C ATOM 382 CG2 ILE A 26 16.456 14.981 -18.385 1.00 20.11 C ATOM 383 CD1 ILE A 26 17.499 16.933 -16.162 1.00 13.13 C ATOM 0 H ILE A 26 13.955 18.293 -18.328 1.00 1.13 H new ATOM 0 HA ILE A 26 15.779 16.958 -20.161 1.00 14.13 H new ATOM 0 HB ILE A 26 15.188 16.250 -17.216 1.00 0.11 H new ATOM 0 HG12 ILE A 26 17.893 17.105 -18.244 1.00 11.33 H new ATOM 0 HG13 ILE A 26 16.728 18.262 -17.632 1.00 11.33 H new ATOM 0 HG21 ILE A 26 16.981 14.566 -17.525 1.00 20.11 H new ATOM 0 HG22 ILE A 26 15.640 14.316 -18.668 1.00 20.11 H new ATOM 0 HG23 ILE A 26 17.150 15.080 -19.220 1.00 20.11 H new ATOM 0 HD11 ILE A 26 18.311 17.609 -15.895 1.00 13.13 H new ATOM 0 HD12 ILE A 26 16.666 17.078 -15.475 1.00 13.13 H new ATOM 0 HD13 ILE A 26 17.848 15.902 -16.097 1.00 13.13 H new ATOM 395 N TYR A 27 14.046 15.159 -20.543 1.00 43.34 N ATOM 396 CA TYR A 27 12.928 14.311 -20.948 1.00 13.24 C ATOM 397 C TYR A 27 13.570 12.956 -21.266 1.00 44.04 C ATOM 398 O TYR A 27 14.805 12.866 -21.450 1.00 1.25 O ATOM 399 CB TYR A 27 12.219 14.918 -22.220 1.00 12.24 C ATOM 400 CG TYR A 27 13.042 14.899 -23.467 1.00 70.31 C ATOM 401 CD1 TYR A 27 13.873 15.944 -23.775 1.00 62.21 C ATOM 402 CD2 TYR A 27 12.986 13.817 -24.334 1.00 12.32 C ATOM 403 CE1 TYR A 27 14.648 15.896 -24.931 1.00 20.13 C ATOM 404 CE2 TYR A 27 13.742 13.771 -25.466 1.00 12.44 C ATOM 405 CZ TYR A 27 14.577 14.804 -25.759 1.00 41.10 C ATOM 406 OH TYR A 27 15.330 14.767 -26.913 1.00 33.00 O ATOM 0 H TYR A 27 14.869 15.078 -21.140 1.00 43.34 H new ATOM 0 HA TYR A 27 12.160 14.226 -20.179 1.00 13.24 H new ATOM 0 HB2 TYR A 27 11.297 14.366 -22.402 1.00 12.24 H new ATOM 0 HB3 TYR A 27 11.937 15.948 -22.004 1.00 12.24 H new ATOM 0 HD1 TYR A 27 13.927 16.803 -23.123 1.00 62.21 H new ATOM 0 HD2 TYR A 27 12.327 12.992 -24.106 1.00 12.32 H new ATOM 0 HE1 TYR A 27 15.305 16.718 -25.176 1.00 20.13 H new ATOM 0 HE2 TYR A 27 13.679 12.919 -26.127 1.00 12.44 H new ATOM 0 HH TYR A 27 15.164 13.924 -27.385 1.00 33.00 H new ATOM 416 N TYR A 28 12.770 11.890 -21.238 1.00 34.12 N ATOM 417 CA TYR A 28 13.199 10.551 -21.583 1.00 12.12 C ATOM 418 C TYR A 28 13.159 10.383 -23.063 1.00 5.03 C ATOM 419 O TYR A 28 12.182 10.726 -23.727 1.00 23.52 O ATOM 420 CB TYR A 28 12.333 9.480 -20.886 1.00 22.24 C ATOM 421 CG TYR A 28 12.519 8.026 -21.312 1.00 31.13 C ATOM 422 CD1 TYR A 28 13.596 7.252 -20.953 1.00 54.03 C ATOM 423 CD2 TYR A 28 11.518 7.428 -22.027 1.00 14.52 C ATOM 424 CE1 TYR A 28 13.641 5.905 -21.306 1.00 14.22 C ATOM 425 CE2 TYR A 28 11.552 6.116 -22.391 1.00 14.32 C ATOM 426 CZ TYR A 28 12.606 5.351 -22.024 1.00 4.53 C ATOM 427 OH TYR A 28 12.610 4.008 -22.350 1.00 31.30 O ATOM 0 H TYR A 28 11.788 11.943 -20.968 1.00 34.12 H new ATOM 0 HA TYR A 28 14.222 10.414 -21.232 1.00 12.12 H new ATOM 0 HB2 TYR A 28 12.522 9.542 -19.814 1.00 22.24 H new ATOM 0 HB3 TYR A 28 11.287 9.743 -21.041 1.00 22.24 H new ATOM 0 HD1 TYR A 28 14.411 7.689 -20.395 1.00 54.03 H new ATOM 0 HD2 TYR A 28 10.663 8.022 -22.315 1.00 14.52 H new ATOM 0 HE1 TYR A 28 14.486 5.297 -21.017 1.00 14.22 H new ATOM 0 HE2 TYR A 28 10.744 5.690 -22.968 1.00 14.32 H new ATOM 0 HH TYR A 28 11.800 3.792 -22.857 1.00 31.30 H new ATOM 437 N ASN A 29 14.228 9.902 -23.557 1.00 10.41 N ATOM 438 CA ASN A 29 14.218 9.565 -24.950 1.00 41.33 C ATOM 439 C ASN A 29 13.339 8.373 -25.129 1.00 61.12 C ATOM 440 O ASN A 29 13.429 7.392 -24.438 1.00 44.41 O ATOM 441 CB ASN A 29 15.556 9.169 -25.460 1.00 55.12 C ATOM 442 CG ASN A 29 16.596 10.235 -25.485 1.00 71.43 C ATOM 443 OD1 ASN A 29 17.754 9.955 -25.274 1.00 50.14 O ATOM 444 ND2 ASN A 29 16.219 11.420 -25.866 1.00 41.21 N ATOM 0 H ASN A 29 15.099 9.731 -23.055 1.00 10.41 H new ATOM 0 HA ASN A 29 13.879 10.448 -25.491 1.00 41.33 H new ATOM 0 HB2 ASN A 29 15.925 8.346 -24.848 1.00 55.12 H new ATOM 0 HB3 ASN A 29 15.436 8.785 -26.473 1.00 55.12 H new ATOM 0 HD21 ASN A 29 16.911 12.157 -25.998 1.00 41.21 H new ATOM 0 HD22 ASN A 29 15.231 11.612 -26.033 1.00 41.21 H new ATOM 451 N SER A 30 12.650 8.456 -26.226 1.00 61.12 N ATOM 452 CA SER A 30 11.581 7.564 -26.599 1.00 53.54 C ATOM 453 C SER A 30 12.331 6.365 -27.247 1.00 40.04 C ATOM 454 O SER A 30 12.306 5.239 -26.776 1.00 11.00 O ATOM 455 CB SER A 30 10.762 8.293 -27.664 1.00 33.00 C ATOM 456 OG SER A 30 10.366 9.572 -27.178 1.00 30.34 O ATOM 0 H SER A 30 12.822 9.181 -26.923 1.00 61.12 H new ATOM 0 HA SER A 30 10.926 7.254 -25.785 1.00 53.54 H new ATOM 0 HB2 SER A 30 11.351 8.406 -28.574 1.00 33.00 H new ATOM 0 HB3 SER A 30 9.882 7.705 -27.925 1.00 33.00 H new ATOM 0 HG SER A 30 9.490 9.500 -26.745 1.00 30.34 H new ATOM 462 N ALA A 31 12.993 6.721 -28.359 1.00 1.23 N ATOM 463 CA ALA A 31 13.911 5.785 -29.057 1.00 75.43 C ATOM 464 C ALA A 31 15.022 5.247 -28.125 1.00 65.14 C ATOM 465 O ALA A 31 15.141 4.060 -27.837 1.00 72.25 O ATOM 466 CB ALA A 31 14.533 6.442 -30.271 1.00 3.33 C ATOM 0 H ALA A 31 12.916 7.639 -28.797 1.00 1.23 H new ATOM 0 HA ALA A 31 13.306 4.937 -29.377 1.00 75.43 H new ATOM 0 HB1 ALA A 31 15.201 5.736 -30.765 1.00 3.33 H new ATOM 0 HB2 ALA A 31 13.748 6.744 -30.964 1.00 3.33 H new ATOM 0 HB3 ALA A 31 15.099 7.320 -29.960 1.00 3.33 H new ATOM 472 N LYS A 32 15.807 6.228 -27.664 1.00 40.13 N ATOM 473 CA LYS A 32 17.180 5.987 -27.135 1.00 1.22 C ATOM 474 C LYS A 32 17.252 5.503 -25.705 1.00 3.31 C ATOM 475 O LYS A 32 18.263 4.964 -25.243 1.00 30.51 O ATOM 476 CB LYS A 32 18.045 7.240 -27.224 1.00 34.03 C ATOM 477 CG LYS A 32 18.129 7.875 -28.581 1.00 74.45 C ATOM 478 CD LYS A 32 19.361 8.776 -28.664 1.00 22.24 C ATOM 479 CE LYS A 32 19.575 9.383 -30.052 1.00 1.45 C ATOM 480 NZ LYS A 32 18.660 10.497 -30.355 1.00 71.01 N ATOM 0 H LYS A 32 15.524 7.208 -27.641 1.00 40.13 H new ATOM 0 HA LYS A 32 17.549 5.188 -27.778 1.00 1.22 H new ATOM 0 HB2 LYS A 32 17.658 7.978 -26.521 1.00 34.03 H new ATOM 0 HB3 LYS A 32 19.054 6.987 -26.898 1.00 34.03 H new ATOM 0 HG2 LYS A 32 18.181 7.104 -29.349 1.00 74.45 H new ATOM 0 HG3 LYS A 32 17.229 8.458 -28.775 1.00 74.45 H new ATOM 0 HD2 LYS A 32 19.264 9.580 -27.935 1.00 22.24 H new ATOM 0 HD3 LYS A 32 20.244 8.199 -28.387 1.00 22.24 H new ATOM 0 HE2 LYS A 32 20.603 9.736 -30.130 1.00 1.45 H new ATOM 0 HE3 LYS A 32 19.448 8.604 -30.804 1.00 1.45 H new ATOM 0 HZ1 LYS A 32 18.860 10.861 -31.309 1.00 71.01 H new ATOM 0 HZ2 LYS A 32 17.677 10.160 -30.311 1.00 71.01 H new ATOM 0 HZ3 LYS A 32 18.797 11.258 -29.659 1.00 71.01 H new ATOM 494 N LYS A 33 16.104 5.691 -25.075 1.00 3.31 N ATOM 495 CA LYS A 33 15.895 5.245 -23.702 1.00 53.43 C ATOM 496 C LYS A 33 16.937 5.839 -22.751 1.00 41.22 C ATOM 497 O LYS A 33 17.652 5.128 -22.073 1.00 33.30 O ATOM 498 CB LYS A 33 15.913 3.735 -23.660 1.00 65.45 C ATOM 499 CG LYS A 33 14.794 3.213 -24.470 1.00 55.13 C ATOM 500 CD LYS A 33 14.559 1.780 -24.280 1.00 52.23 C ATOM 501 CE LYS A 33 13.195 1.526 -24.752 1.00 64.34 C ATOM 502 NZ LYS A 33 12.801 0.119 -24.601 1.00 52.44 N ATOM 0 H LYS A 33 15.296 6.152 -25.493 1.00 3.31 H new ATOM 0 HA LYS A 33 14.922 5.601 -23.362 1.00 53.43 H new ATOM 0 HB2 LYS A 33 16.862 3.360 -24.044 1.00 65.45 H new ATOM 0 HB3 LYS A 33 15.826 3.387 -22.631 1.00 65.45 H new ATOM 0 HG2 LYS A 33 13.886 3.760 -24.217 1.00 55.13 H new ATOM 0 HG3 LYS A 33 14.998 3.404 -25.524 1.00 55.13 H new ATOM 0 HD2 LYS A 33 15.282 1.189 -24.842 1.00 52.23 H new ATOM 0 HD3 LYS A 33 14.666 1.503 -23.231 1.00 52.23 H new ATOM 0 HE2 LYS A 33 12.499 2.156 -24.198 1.00 64.34 H new ATOM 0 HE3 LYS A 33 13.118 1.811 -25.801 1.00 64.34 H new ATOM 0 HZ1 LYS A 33 11.829 -0.009 -24.949 1.00 52.44 H new ATOM 0 HZ2 LYS A 33 13.447 -0.483 -25.150 1.00 52.44 H new ATOM 0 HZ3 LYS A 33 12.847 -0.149 -23.597 1.00 52.44 H new ATOM 516 N GLN A 34 17.060 7.151 -22.807 1.00 4.14 N ATOM 517 CA GLN A 34 18.014 7.912 -22.000 1.00 44.42 C ATOM 518 C GLN A 34 17.234 9.014 -21.267 1.00 52.11 C ATOM 519 O GLN A 34 16.015 9.094 -21.350 1.00 41.23 O ATOM 520 CB GLN A 34 19.079 8.579 -22.881 1.00 24.40 C ATOM 521 CG GLN A 34 19.828 7.671 -23.826 1.00 72.53 C ATOM 522 CD GLN A 34 20.979 8.403 -24.485 1.00 62.55 C ATOM 523 OE1 GLN A 34 22.119 8.343 -24.017 1.00 11.43 O ATOM 524 NE2 GLN A 34 20.676 9.180 -25.499 1.00 30.34 N ATOM 0 H GLN A 34 16.494 7.734 -23.423 1.00 4.14 H new ATOM 0 HA GLN A 34 18.513 7.236 -21.306 1.00 44.42 H new ATOM 0 HB2 GLN A 34 18.597 9.361 -23.468 1.00 24.40 H new ATOM 0 HB3 GLN A 34 19.804 9.069 -22.231 1.00 24.40 H new ATOM 0 HG2 GLN A 34 20.207 6.806 -23.281 1.00 72.53 H new ATOM 0 HG3 GLN A 34 19.148 7.294 -24.589 1.00 72.53 H new ATOM 0 HE21 GLN A 34 19.721 9.202 -25.857 1.00 30.34 H new ATOM 0 HE22 GLN A 34 21.395 9.762 -25.928 1.00 30.34 H new ATOM 533 N CYS A 35 17.975 9.934 -20.694 1.00 41.10 N ATOM 534 CA CYS A 35 17.533 11.068 -19.916 1.00 35.14 C ATOM 535 C CYS A 35 18.345 12.120 -20.492 1.00 1.24 C ATOM 536 O CYS A 35 19.539 12.150 -20.203 1.00 60.21 O ATOM 537 CB CYS A 35 17.947 10.914 -18.406 1.00 43.43 C ATOM 538 SG CYS A 35 17.581 12.366 -17.310 1.00 54.54 S ATOM 0 H CYS A 35 18.992 9.905 -20.767 1.00 41.10 H new ATOM 0 HA CYS A 35 16.454 11.218 -19.938 1.00 35.14 H new ATOM 0 HB2 CYS A 35 17.440 10.039 -17.998 1.00 43.43 H new ATOM 0 HB3 CYS A 35 19.017 10.712 -18.362 1.00 43.43 H new ATOM 543 N VAL A 36 17.867 12.990 -21.325 1.00 73.40 N ATOM 544 CA VAL A 36 18.618 13.940 -22.015 1.00 10.52 C ATOM 545 C VAL A 36 17.870 15.229 -21.852 1.00 31.20 C ATOM 546 O VAL A 36 16.673 15.237 -21.550 1.00 21.22 O ATOM 547 CB VAL A 36 18.701 13.637 -23.548 1.00 41.01 C ATOM 548 CG1 VAL A 36 19.216 12.263 -23.837 1.00 1.51 C ATOM 549 CG2 VAL A 36 17.364 13.781 -24.228 1.00 62.33 C ATOM 0 H VAL A 36 16.872 13.042 -21.542 1.00 73.40 H new ATOM 0 HA VAL A 36 19.636 13.956 -21.626 1.00 10.52 H new ATOM 0 HB VAL A 36 19.400 14.375 -23.941 1.00 41.01 H new ATOM 0 HG11 VAL A 36 19.253 12.107 -24.915 1.00 1.51 H new ATOM 0 HG12 VAL A 36 20.218 12.155 -23.421 1.00 1.51 H new ATOM 0 HG13 VAL A 36 18.554 11.524 -23.386 1.00 1.51 H new ATOM 0 HG21 VAL A 36 17.471 13.561 -25.290 1.00 62.33 H new ATOM 0 HG22 VAL A 36 16.653 13.085 -23.783 1.00 62.33 H new ATOM 0 HG23 VAL A 36 17.000 14.801 -24.103 1.00 62.33 H new ATOM 559 N THR A 37 18.559 16.281 -22.019 1.00 33.45 N ATOM 560 CA THR A 37 17.988 17.561 -21.912 1.00 44.23 C ATOM 561 C THR A 37 17.342 18.071 -23.209 1.00 13.21 C ATOM 562 O THR A 37 17.703 17.645 -24.324 1.00 42.43 O ATOM 563 CB THR A 37 19.031 18.553 -21.369 1.00 42.33 C ATOM 564 OG1 THR A 37 20.230 18.501 -22.165 1.00 2.41 O ATOM 565 CG2 THR A 37 19.353 18.231 -19.943 1.00 35.21 C ATOM 0 H THR A 37 19.555 16.281 -22.238 1.00 33.45 H new ATOM 0 HA THR A 37 17.162 17.479 -21.206 1.00 44.23 H new ATOM 0 HB THR A 37 18.616 19.559 -21.422 1.00 42.33 H new ATOM 0 HG1 THR A 37 20.886 19.138 -21.811 1.00 2.41 H new ATOM 0 HG21 THR A 37 20.092 18.939 -19.568 1.00 35.21 H new ATOM 0 HG22 THR A 37 18.447 18.300 -19.341 1.00 35.21 H new ATOM 0 HG23 THR A 37 19.755 17.220 -19.880 1.00 35.21 H new ATOM 573 N PHE A 38 16.409 18.989 -23.035 1.00 55.45 N ATOM 574 CA PHE A 38 15.769 19.644 -24.106 1.00 21.23 C ATOM 575 C PHE A 38 15.656 21.084 -23.765 1.00 51.31 C ATOM 576 O PHE A 38 15.835 21.493 -22.599 1.00 1.30 O ATOM 577 CB PHE A 38 14.389 19.147 -24.401 1.00 54.14 C ATOM 578 CG PHE A 38 13.297 19.376 -23.414 1.00 2.10 C ATOM 579 CD1 PHE A 38 13.187 18.686 -22.232 1.00 53.53 C ATOM 580 CD2 PHE A 38 12.329 20.286 -23.748 1.00 2.02 C ATOM 581 CE1 PHE A 38 12.122 18.915 -21.402 1.00 24.21 C ATOM 582 CE2 PHE A 38 11.278 20.536 -22.945 1.00 2.12 C ATOM 583 CZ PHE A 38 11.164 19.847 -21.756 1.00 35.22 C ATOM 0 H PHE A 38 16.085 19.290 -22.116 1.00 55.45 H new ATOM 0 HA PHE A 38 16.376 19.451 -24.990 1.00 21.23 H new ATOM 0 HB2 PHE A 38 14.076 19.596 -25.344 1.00 54.14 H new ATOM 0 HB3 PHE A 38 14.458 18.072 -24.567 1.00 54.14 H new ATOM 0 HD1 PHE A 38 13.940 17.963 -21.957 1.00 53.53 H new ATOM 0 HD2 PHE A 38 12.412 20.819 -24.684 1.00 2.02 H new ATOM 0 HE1 PHE A 38 12.031 18.370 -20.474 1.00 24.21 H new ATOM 0 HE2 PHE A 38 10.534 21.266 -23.228 1.00 2.12 H new ATOM 0 HZ PHE A 38 10.326 20.035 -21.101 1.00 35.22 H new ATOM 593 N THR A 39 15.382 21.822 -24.757 1.00 55.22 N ATOM 594 CA THR A 39 15.166 23.225 -24.678 1.00 14.33 C ATOM 595 C THR A 39 13.728 23.433 -24.202 1.00 2.41 C ATOM 596 O THR A 39 12.788 23.137 -24.927 1.00 21.33 O ATOM 597 CB THR A 39 15.251 23.790 -26.103 1.00 45.32 C ATOM 598 OG1 THR A 39 16.494 23.392 -26.719 1.00 44.05 O ATOM 599 CG2 THR A 39 15.145 25.310 -26.116 1.00 12.12 C ATOM 0 H THR A 39 15.294 21.456 -25.705 1.00 55.22 H new ATOM 0 HA THR A 39 15.889 23.701 -24.015 1.00 14.33 H new ATOM 0 HB THR A 39 14.410 23.386 -26.666 1.00 45.32 H new ATOM 0 HG1 THR A 39 16.539 23.755 -27.628 1.00 44.05 H new ATOM 0 HG21 THR A 39 15.210 25.670 -27.143 1.00 12.12 H new ATOM 0 HG22 THR A 39 14.191 25.612 -25.685 1.00 12.12 H new ATOM 0 HG23 THR A 39 15.959 25.737 -25.530 1.00 12.12 H new ATOM 607 N TYR A 40 13.561 23.882 -22.991 1.00 5.42 N ATOM 608 CA TYR A 40 12.222 24.089 -22.518 1.00 64.41 C ATOM 609 C TYR A 40 11.938 25.540 -22.376 1.00 64.55 C ATOM 610 O TYR A 40 12.592 26.210 -21.603 1.00 45.33 O ATOM 611 CB TYR A 40 12.008 23.362 -21.183 1.00 21.43 C ATOM 612 CG TYR A 40 10.614 23.471 -20.490 1.00 63.15 C ATOM 613 CD1 TYR A 40 10.286 24.573 -19.702 1.00 13.13 C ATOM 614 CD2 TYR A 40 9.652 22.439 -20.581 1.00 2.50 C ATOM 615 CE1 TYR A 40 9.064 24.655 -19.047 1.00 71.53 C ATOM 616 CE2 TYR A 40 8.437 22.530 -19.934 1.00 72.21 C ATOM 617 CZ TYR A 40 8.145 23.633 -19.173 1.00 13.24 C ATOM 618 OH TYR A 40 6.925 23.706 -18.514 1.00 24.43 O ATOM 0 H TYR A 40 14.307 24.106 -22.332 1.00 5.42 H new ATOM 0 HA TYR A 40 11.528 23.676 -23.250 1.00 64.41 H new ATOM 0 HB2 TYR A 40 12.216 22.304 -21.345 1.00 21.43 H new ATOM 0 HB3 TYR A 40 12.757 23.730 -20.481 1.00 21.43 H new ATOM 0 HD1 TYR A 40 10.997 25.380 -19.599 1.00 13.13 H new ATOM 0 HD2 TYR A 40 9.873 21.561 -21.169 1.00 2.50 H new ATOM 0 HE1 TYR A 40 8.833 25.518 -18.440 1.00 71.53 H new ATOM 0 HE2 TYR A 40 7.715 21.732 -20.027 1.00 72.21 H new ATOM 0 HH TYR A 40 6.398 22.904 -18.712 1.00 24.43 H new ATOM 628 N ASN A 41 11.054 26.032 -23.197 1.00 42.40 N ATOM 629 CA ASN A 41 10.719 27.422 -23.170 1.00 34.31 C ATOM 630 C ASN A 41 9.505 27.670 -22.341 1.00 64.12 C ATOM 631 O ASN A 41 9.282 28.779 -21.883 1.00 41.14 O ATOM 632 CB ASN A 41 10.648 28.054 -24.552 1.00 13.41 C ATOM 633 CG ASN A 41 11.983 28.095 -25.261 1.00 43.50 C ATOM 634 OD1 ASN A 41 12.340 27.177 -25.975 1.00 61.03 O ATOM 635 ND2 ASN A 41 12.719 29.173 -25.095 1.00 55.43 N ATOM 0 H ASN A 41 10.551 25.485 -23.896 1.00 42.40 H new ATOM 0 HA ASN A 41 11.546 27.937 -22.680 1.00 34.31 H new ATOM 0 HB2 ASN A 41 9.937 27.497 -25.162 1.00 13.41 H new ATOM 0 HB3 ASN A 41 10.262 29.069 -24.460 1.00 13.41 H new ATOM 0 HD21 ASN A 41 13.617 29.256 -25.572 1.00 55.43 H new ATOM 0 HD22 ASN A 41 12.392 29.926 -24.489 1.00 55.43 H new ATOM 642 N GLY A 42 8.665 26.657 -22.205 1.00 0.31 N ATOM 643 CA GLY A 42 7.685 26.728 -21.177 1.00 11.32 C ATOM 644 C GLY A 42 6.244 26.955 -21.541 1.00 32.44 C ATOM 645 O GLY A 42 5.483 27.279 -20.641 1.00 55.11 O ATOM 0 H GLY A 42 8.652 25.813 -22.778 1.00 0.31 H new ATOM 0 HA2 GLY A 42 7.736 25.797 -20.612 1.00 11.32 H new ATOM 0 HA3 GLY A 42 7.980 27.529 -20.499 1.00 11.32 H new ATOM 649 N LYS A 43 5.787 26.812 -22.782 1.00 13.42 N ATOM 650 CA LYS A 43 4.401 27.099 -23.113 1.00 22.44 C ATOM 651 C LYS A 43 3.820 25.973 -23.990 1.00 40.00 C ATOM 652 O LYS A 43 3.830 24.800 -23.632 1.00 2.13 O ATOM 653 CB LYS A 43 4.337 28.431 -23.939 1.00 45.13 C ATOM 654 CG LYS A 43 5.015 29.632 -23.340 1.00 31.10 C ATOM 655 CD LYS A 43 4.613 30.910 -24.060 1.00 62.03 C ATOM 656 CE LYS A 43 3.153 31.260 -23.824 1.00 1.50 C ATOM 657 NZ LYS A 43 2.773 32.523 -24.488 1.00 41.12 N ATOM 0 H LYS A 43 6.356 26.500 -23.569 1.00 13.42 H new ATOM 0 HA LYS A 43 3.830 27.183 -22.188 1.00 22.44 H new ATOM 0 HB2 LYS A 43 4.778 28.245 -24.918 1.00 45.13 H new ATOM 0 HB3 LYS A 43 3.288 28.679 -24.103 1.00 45.13 H new ATOM 0 HG2 LYS A 43 4.755 29.710 -22.284 1.00 31.10 H new ATOM 0 HG3 LYS A 43 6.096 29.506 -23.394 1.00 31.10 H new ATOM 0 HD2 LYS A 43 5.243 31.732 -23.719 1.00 62.03 H new ATOM 0 HD3 LYS A 43 4.790 30.795 -25.129 1.00 62.03 H new ATOM 0 HE2 LYS A 43 2.522 30.452 -24.194 1.00 1.50 H new ATOM 0 HE3 LYS A 43 2.969 31.344 -22.753 1.00 1.50 H new ATOM 0 HZ1 LYS A 43 1.770 32.725 -24.302 1.00 41.12 H new ATOM 0 HZ2 LYS A 43 3.357 33.300 -24.117 1.00 41.12 H new ATOM 0 HZ3 LYS A 43 2.924 32.435 -25.513 1.00 41.12 H new ATOM 671 N GLY A 44 3.274 26.462 -25.083 1.00 22.41 N ATOM 672 CA GLY A 44 2.780 25.659 -26.189 1.00 11.25 C ATOM 673 C GLY A 44 3.303 24.254 -26.403 1.00 15.22 C ATOM 674 O GLY A 44 4.507 24.018 -26.564 1.00 64.44 O ATOM 0 H GLY A 44 3.156 27.464 -25.234 1.00 22.41 H new ATOM 0 HA2 GLY A 44 1.698 25.588 -26.079 1.00 11.25 H new ATOM 0 HA3 GLY A 44 2.971 26.218 -27.105 1.00 11.25 H new ATOM 678 N GLY A 45 2.345 23.359 -26.469 1.00 50.53 N ATOM 679 CA GLY A 45 2.629 22.006 -26.817 1.00 25.35 C ATOM 680 C GLY A 45 3.021 21.166 -25.637 1.00 23.45 C ATOM 681 O GLY A 45 2.628 21.435 -24.496 1.00 51.54 O ATOM 0 H GLY A 45 1.361 23.555 -26.284 1.00 50.53 H new ATOM 0 HA2 GLY A 45 1.752 21.567 -27.293 1.00 25.35 H new ATOM 0 HA3 GLY A 45 3.433 21.987 -27.552 1.00 25.35 H new ATOM 685 N ASN A 46 3.719 20.085 -25.959 1.00 34.41 N ATOM 686 CA ASN A 46 4.105 19.203 -24.851 1.00 44.42 C ATOM 687 C ASN A 46 5.061 19.748 -23.837 1.00 62.33 C ATOM 688 O ASN A 46 5.971 20.508 -24.082 1.00 62.44 O ATOM 689 CB ASN A 46 4.612 17.830 -25.312 1.00 72.10 C ATOM 690 CG ASN A 46 3.636 17.090 -26.181 1.00 25.03 C ATOM 691 OD1 ASN A 46 2.723 16.415 -25.699 1.00 21.13 O ATOM 692 ND2 ASN A 46 3.858 17.144 -27.453 1.00 41.23 N ATOM 0 H ASN A 46 4.013 19.806 -26.895 1.00 34.41 H new ATOM 0 HA ASN A 46 3.147 19.108 -24.339 1.00 44.42 H new ATOM 0 HB2 ASN A 46 5.546 17.962 -25.859 1.00 72.10 H new ATOM 0 HB3 ASN A 46 4.839 17.223 -24.436 1.00 72.10 H new ATOM 0 HD21 ASN A 46 3.268 16.617 -28.097 1.00 41.23 H new ATOM 0 HD22 ASN A 46 4.623 17.714 -27.813 1.00 41.23 H new ATOM 699 N GLY A 47 4.767 19.265 -22.680 1.00 44.43 N ATOM 700 CA GLY A 47 5.513 19.654 -21.543 1.00 64.45 C ATOM 701 C GLY A 47 6.111 18.518 -20.841 1.00 0.52 C ATOM 702 O GLY A 47 6.084 18.472 -19.608 1.00 74.41 O ATOM 0 H GLY A 47 4.015 18.600 -22.500 1.00 44.43 H new ATOM 0 HA2 GLY A 47 6.301 20.342 -21.849 1.00 64.45 H new ATOM 0 HA3 GLY A 47 4.864 20.198 -20.857 1.00 64.45 H new ATOM 706 N ASN A 48 6.587 17.549 -21.592 1.00 71.33 N ATOM 707 CA ASN A 48 7.334 16.475 -20.985 1.00 23.14 C ATOM 708 C ASN A 48 8.627 17.054 -20.516 1.00 74.33 C ATOM 709 O ASN A 48 9.522 17.304 -21.303 1.00 52.30 O ATOM 710 CB ASN A 48 7.601 15.320 -21.930 1.00 21.44 C ATOM 711 CG ASN A 48 8.333 14.207 -21.208 1.00 0.25 C ATOM 712 OD1 ASN A 48 8.181 14.044 -19.999 1.00 33.13 O ATOM 713 ND2 ASN A 48 9.098 13.425 -21.922 1.00 5.55 N ATOM 0 H ASN A 48 6.473 17.484 -22.603 1.00 71.33 H new ATOM 0 HA ASN A 48 6.746 16.059 -20.167 1.00 23.14 H new ATOM 0 HB2 ASN A 48 6.660 14.945 -22.331 1.00 21.44 H new ATOM 0 HB3 ASN A 48 8.194 15.664 -22.777 1.00 21.44 H new ATOM 0 HD21 ASN A 48 9.592 12.651 -21.478 1.00 5.55 H new ATOM 0 HD22 ASN A 48 9.202 13.589 -22.923 1.00 5.55 H new ATOM 720 N ASN A 49 8.705 17.265 -19.253 1.00 50.31 N ATOM 721 CA ASN A 49 9.740 17.954 -18.595 1.00 52.54 C ATOM 722 C ASN A 49 10.031 17.284 -17.293 1.00 65.11 C ATOM 723 O ASN A 49 9.128 17.108 -16.471 1.00 31.21 O ATOM 724 CB ASN A 49 9.253 19.386 -18.295 1.00 52.03 C ATOM 725 CG ASN A 49 10.211 20.183 -17.428 1.00 60.44 C ATOM 726 OD1 ASN A 49 11.390 19.945 -17.426 1.00 33.04 O ATOM 727 ND2 ASN A 49 9.697 21.133 -16.676 1.00 4.43 N ATOM 0 H ASN A 49 7.988 16.932 -18.608 1.00 50.31 H new ATOM 0 HA ASN A 49 10.633 17.964 -19.220 1.00 52.54 H new ATOM 0 HB2 ASN A 49 9.102 19.914 -19.236 1.00 52.03 H new ATOM 0 HB3 ASN A 49 8.284 19.335 -17.799 1.00 52.03 H new ATOM 0 HD21 ASN A 49 10.302 21.689 -16.072 1.00 4.43 H new ATOM 0 HD22 ASN A 49 8.693 21.313 -16.697 1.00 4.43 H new ATOM 734 N PHE A 50 11.237 16.879 -17.097 1.00 52.02 N ATOM 735 CA PHE A 50 11.680 16.452 -15.806 1.00 5.24 C ATOM 736 C PHE A 50 12.795 17.418 -15.464 1.00 4.35 C ATOM 737 O PHE A 50 13.649 17.688 -16.298 1.00 74.33 O ATOM 738 CB PHE A 50 12.155 14.971 -15.816 1.00 31.42 C ATOM 739 CG PHE A 50 11.111 14.028 -16.352 1.00 60.33 C ATOM 740 CD1 PHE A 50 9.975 13.734 -15.616 1.00 34.31 C ATOM 741 CD2 PHE A 50 11.263 13.450 -17.604 1.00 53.41 C ATOM 742 CE1 PHE A 50 9.007 12.886 -16.120 1.00 55.11 C ATOM 743 CE2 PHE A 50 10.305 12.599 -18.111 1.00 2.32 C ATOM 744 CZ PHE A 50 9.173 12.319 -17.369 1.00 61.24 C ATOM 0 H PHE A 50 11.949 16.832 -17.826 1.00 52.02 H new ATOM 0 HA PHE A 50 10.883 16.469 -15.062 1.00 5.24 H new ATOM 0 HB2 PHE A 50 13.058 14.888 -16.421 1.00 31.42 H new ATOM 0 HB3 PHE A 50 12.422 14.673 -14.802 1.00 31.42 H new ATOM 0 HD1 PHE A 50 9.844 14.172 -14.638 1.00 34.31 H new ATOM 0 HD2 PHE A 50 12.144 13.670 -18.189 1.00 53.41 H new ATOM 0 HE1 PHE A 50 8.123 12.667 -15.539 1.00 55.11 H new ATOM 0 HE2 PHE A 50 10.438 12.152 -19.085 1.00 2.32 H new ATOM 0 HZ PHE A 50 8.418 11.657 -17.766 1.00 61.24 H new ATOM 754 N SER A 51 12.786 17.950 -14.297 1.00 35.13 N ATOM 755 CA SER A 51 13.691 19.007 -13.909 1.00 34.14 C ATOM 756 C SER A 51 14.737 18.541 -12.919 1.00 71.05 C ATOM 757 O SER A 51 15.583 19.345 -12.494 1.00 22.22 O ATOM 758 CB SER A 51 12.850 20.123 -13.325 1.00 74.43 C ATOM 759 OG SER A 51 12.020 19.626 -12.281 1.00 70.44 O ATOM 0 H SER A 51 12.142 17.668 -13.558 1.00 35.13 H new ATOM 0 HA SER A 51 14.247 19.350 -14.782 1.00 34.14 H new ATOM 0 HB2 SER A 51 13.497 20.911 -12.940 1.00 74.43 H new ATOM 0 HB3 SER A 51 12.234 20.570 -14.106 1.00 74.43 H new ATOM 0 HG SER A 51 11.484 20.359 -11.912 1.00 70.44 H new ATOM 765 N ARG A 52 14.762 17.289 -12.588 1.00 63.35 N ATOM 766 CA ARG A 52 15.744 16.801 -11.661 1.00 23.14 C ATOM 767 C ARG A 52 16.336 15.550 -12.255 1.00 15.15 C ATOM 768 O ARG A 52 15.607 14.684 -12.777 1.00 60.34 O ATOM 769 CB ARG A 52 15.107 16.492 -10.302 1.00 50.13 C ATOM 770 CG ARG A 52 14.347 17.649 -9.670 1.00 25.44 C ATOM 771 CD ARG A 52 13.869 17.285 -8.284 1.00 62.31 C ATOM 772 NE ARG A 52 12.911 18.252 -7.733 1.00 53.31 N ATOM 773 CZ ARG A 52 12.814 18.564 -6.439 1.00 11.44 C ATOM 774 NH1 ARG A 52 13.800 18.272 -5.605 1.00 44.13 N ATOM 775 NH2 ARG A 52 11.761 19.229 -5.983 1.00 25.32 N ATOM 0 H ARG A 52 14.116 16.584 -12.943 1.00 63.35 H new ATOM 0 HA ARG A 52 16.513 17.555 -11.494 1.00 23.14 H new ATOM 0 HB2 ARG A 52 14.425 15.650 -10.420 1.00 50.13 H new ATOM 0 HB3 ARG A 52 15.890 16.173 -9.615 1.00 50.13 H new ATOM 0 HG2 ARG A 52 14.990 18.527 -9.618 1.00 25.44 H new ATOM 0 HG3 ARG A 52 13.495 17.915 -10.295 1.00 25.44 H new ATOM 0 HD2 ARG A 52 13.405 16.299 -8.313 1.00 62.31 H new ATOM 0 HD3 ARG A 52 14.728 17.213 -7.617 1.00 62.31 H new ATOM 0 HE ARG A 52 12.277 18.717 -8.383 1.00 53.31 H new ATOM 0 HH11 ARG A 52 14.639 17.806 -5.950 1.00 44.13 H new ATOM 0 HH12 ARG A 52 13.720 18.513 -4.617 1.00 44.13 H new ATOM 0 HH21 ARG A 52 11.017 19.506 -6.623 1.00 25.32 H new ATOM 0 HH22 ARG A 52 11.695 19.463 -4.992 1.00 25.32 H new ATOM 789 N THR A 53 17.649 15.462 -12.173 1.00 73.24 N ATOM 790 CA THR A 53 18.426 14.397 -12.763 1.00 71.12 C ATOM 791 C THR A 53 18.078 13.061 -12.105 1.00 52.52 C ATOM 792 O THR A 53 18.043 12.042 -12.753 1.00 44.34 O ATOM 793 CB THR A 53 19.941 14.692 -12.592 1.00 54.43 C ATOM 794 OG1 THR A 53 20.234 16.006 -13.122 1.00 3.24 O ATOM 795 CG2 THR A 53 20.792 13.666 -13.337 1.00 34.41 C ATOM 0 H THR A 53 18.218 16.150 -11.680 1.00 73.24 H new ATOM 0 HA THR A 53 18.191 14.337 -13.826 1.00 71.12 H new ATOM 0 HB THR A 53 20.179 14.641 -11.529 1.00 54.43 H new ATOM 0 HG1 THR A 53 21.189 16.197 -13.014 1.00 3.24 H new ATOM 0 HG21 THR A 53 21.848 13.899 -13.198 1.00 34.41 H new ATOM 0 HG22 THR A 53 20.586 12.670 -12.946 1.00 34.41 H new ATOM 0 HG23 THR A 53 20.550 13.696 -14.399 1.00 34.41 H new ATOM 803 N ASN A 54 17.790 13.089 -10.823 1.00 63.04 N ATOM 804 CA ASN A 54 17.424 11.866 -10.105 1.00 54.30 C ATOM 805 C ASN A 54 15.966 11.522 -10.358 1.00 22.13 C ATOM 806 O ASN A 54 15.582 10.358 -10.352 1.00 31.34 O ATOM 807 CB ASN A 54 17.688 11.987 -8.591 1.00 51.22 C ATOM 808 CG ASN A 54 19.163 12.129 -8.223 1.00 64.05 C ATOM 809 OD1 ASN A 54 19.977 12.634 -8.995 1.00 22.21 O ATOM 810 ND2 ASN A 54 19.513 11.726 -7.032 1.00 13.11 N ATOM 0 H ASN A 54 17.799 13.933 -10.251 1.00 63.04 H new ATOM 0 HA ASN A 54 18.054 11.062 -10.486 1.00 54.30 H new ATOM 0 HB2 ASN A 54 17.144 12.850 -8.206 1.00 51.22 H new ATOM 0 HB3 ASN A 54 17.283 11.107 -8.091 1.00 51.22 H new ATOM 0 HD21 ASN A 54 20.480 11.827 -6.723 1.00 13.11 H new ATOM 0 HD22 ASN A 54 18.820 11.310 -6.410 1.00 13.11 H new ATOM 817 N ASP A 55 15.182 12.541 -10.686 1.00 11.21 N ATOM 818 CA ASP A 55 13.740 12.342 -10.898 1.00 53.12 C ATOM 819 C ASP A 55 13.450 11.766 -12.236 1.00 72.55 C ATOM 820 O ASP A 55 12.473 11.043 -12.384 1.00 2.24 O ATOM 821 CB ASP A 55 12.883 13.581 -10.622 1.00 2.14 C ATOM 822 CG ASP A 55 12.844 13.972 -9.165 1.00 61.30 C ATOM 823 OD1 ASP A 55 13.887 13.976 -8.496 1.00 24.41 O ATOM 824 OD2 ASP A 55 11.765 14.300 -8.672 1.00 71.32 O ATOM 0 H ASP A 55 15.505 13.500 -10.811 1.00 11.21 H new ATOM 0 HA ASP A 55 13.445 11.613 -10.143 1.00 53.12 H new ATOM 0 HB2 ASP A 55 13.269 14.417 -11.205 1.00 2.14 H new ATOM 0 HB3 ASP A 55 11.866 13.394 -10.968 1.00 2.14 H new ATOM 829 N CYS A 56 14.256 12.063 -13.230 1.00 25.14 N ATOM 830 CA CYS A 56 14.049 11.436 -14.501 1.00 34.13 C ATOM 831 C CYS A 56 14.400 9.972 -14.342 1.00 15.45 C ATOM 832 O CYS A 56 13.699 9.107 -14.839 1.00 52.24 O ATOM 833 CB CYS A 56 14.948 12.042 -15.639 1.00 33.10 C ATOM 834 SG CYS A 56 16.779 11.751 -15.508 1.00 22.14 S ATOM 0 H CYS A 56 15.038 12.717 -13.181 1.00 25.14 H new ATOM 0 HA CYS A 56 13.011 11.593 -14.795 1.00 34.13 H new ATOM 0 HB2 CYS A 56 14.607 11.637 -16.592 1.00 33.10 H new ATOM 0 HB3 CYS A 56 14.777 13.118 -15.670 1.00 33.10 H new ATOM 839 N ARG A 57 15.424 9.689 -13.578 1.00 24.13 N ATOM 840 CA ARG A 57 15.880 8.319 -13.405 1.00 32.22 C ATOM 841 C ARG A 57 14.816 7.469 -12.732 1.00 61.21 C ATOM 842 O ARG A 57 14.716 6.267 -12.992 1.00 41.31 O ATOM 843 CB ARG A 57 17.200 8.273 -12.670 1.00 51.24 C ATOM 844 CG ARG A 57 18.250 9.111 -13.343 1.00 12.23 C ATOM 845 CD ARG A 57 19.617 8.795 -12.826 1.00 3.01 C ATOM 846 NE ARG A 57 20.096 7.502 -13.315 1.00 63.53 N ATOM 847 CZ ARG A 57 21.335 7.270 -13.762 1.00 50.14 C ATOM 848 NH1 ARG A 57 22.280 8.200 -13.624 1.00 50.44 N ATOM 849 NH2 ARG A 57 21.646 6.093 -14.292 1.00 53.32 N ATOM 0 H ARG A 57 15.963 10.384 -13.062 1.00 24.13 H new ATOM 0 HA ARG A 57 16.051 7.890 -14.392 1.00 32.22 H new ATOM 0 HB2 ARG A 57 17.058 8.623 -11.648 1.00 51.24 H new ATOM 0 HB3 ARG A 57 17.545 7.241 -12.609 1.00 51.24 H new ATOM 0 HG2 ARG A 57 18.218 8.941 -14.419 1.00 12.23 H new ATOM 0 HG3 ARG A 57 18.034 10.167 -13.181 1.00 12.23 H new ATOM 0 HD2 ARG A 57 20.311 9.579 -13.130 1.00 3.01 H new ATOM 0 HD3 ARG A 57 19.601 8.789 -11.736 1.00 3.01 H new ATOM 0 HE ARG A 57 19.438 6.722 -13.315 1.00 63.53 H new ATOM 0 HH11 ARG A 57 22.059 9.090 -13.177 1.00 50.44 H new ATOM 0 HH12 ARG A 57 23.225 8.022 -13.965 1.00 50.44 H new ATOM 0 HH21 ARG A 57 20.939 5.361 -14.360 1.00 53.32 H new ATOM 0 HH22 ARG A 57 22.592 5.921 -14.632 1.00 53.32 H new ATOM 863 N GLN A 58 14.026 8.115 -11.890 1.00 40.54 N ATOM 864 CA GLN A 58 12.856 7.498 -11.237 1.00 35.11 C ATOM 865 C GLN A 58 11.913 6.998 -12.245 1.00 63.40 C ATOM 866 O GLN A 58 11.586 5.812 -12.296 1.00 40.03 O ATOM 867 CB GLN A 58 12.123 8.498 -10.376 1.00 21.34 C ATOM 868 CG GLN A 58 12.973 9.208 -9.326 1.00 73.12 C ATOM 869 CD GLN A 58 13.501 8.315 -8.207 1.00 5.14 C ATOM 870 OE1 GLN A 58 13.711 7.114 -8.371 1.00 23.20 O ATOM 871 NE2 GLN A 58 13.790 8.919 -7.089 1.00 53.22 N ATOM 0 H GLN A 58 14.170 9.091 -11.631 1.00 40.54 H new ATOM 0 HA GLN A 58 13.226 6.680 -10.619 1.00 35.11 H new ATOM 0 HB2 GLN A 58 11.675 9.250 -11.025 1.00 21.34 H new ATOM 0 HB3 GLN A 58 11.305 7.985 -9.870 1.00 21.34 H new ATOM 0 HG2 GLN A 58 13.821 9.678 -9.825 1.00 73.12 H new ATOM 0 HG3 GLN A 58 12.381 10.008 -8.882 1.00 73.12 H new ATOM 0 HE21 GLN A 58 13.603 9.916 -6.985 1.00 53.22 H new ATOM 0 HE22 GLN A 58 14.203 8.394 -6.318 1.00 53.22 H new ATOM 880 N THR A 59 11.457 7.932 -12.954 1.00 70.24 N ATOM 881 CA THR A 59 10.677 7.848 -14.056 1.00 15.20 C ATOM 882 C THR A 59 11.093 6.720 -14.988 1.00 14.23 C ATOM 883 O THR A 59 10.490 5.644 -14.936 1.00 61.11 O ATOM 884 CB THR A 59 10.896 9.271 -14.619 1.00 1.20 C ATOM 885 OG1 THR A 59 10.334 10.253 -13.755 1.00 52.24 O ATOM 886 CG2 THR A 59 10.576 9.531 -16.014 1.00 1.42 C ATOM 0 H THR A 59 11.664 8.904 -12.723 1.00 70.24 H new ATOM 0 HA THR A 59 9.631 7.594 -13.885 1.00 15.20 H new ATOM 0 HB THR A 59 11.983 9.346 -14.636 1.00 1.20 H new ATOM 0 HG1 THR A 59 11.044 10.841 -13.423 1.00 52.24 H new ATOM 0 HG21 THR A 59 10.787 10.575 -16.247 1.00 1.42 H new ATOM 0 HG22 THR A 59 11.181 8.887 -16.652 1.00 1.42 H new ATOM 0 HG23 THR A 59 9.520 9.326 -16.189 1.00 1.42 H new ATOM 894 N CYS A 60 12.120 6.884 -15.717 1.00 45.53 N ATOM 895 CA CYS A 60 12.350 5.923 -16.831 1.00 50.21 C ATOM 896 C CYS A 60 13.628 5.973 -17.532 1.00 41.40 C ATOM 897 O CYS A 60 13.716 5.355 -18.548 1.00 71.25 O ATOM 898 CB CYS A 60 11.315 6.128 -17.961 1.00 2.34 C ATOM 899 SG CYS A 60 9.569 5.724 -17.659 1.00 43.45 S ATOM 0 H CYS A 60 12.815 7.623 -15.611 1.00 45.53 H new ATOM 0 HA CYS A 60 12.289 4.978 -16.292 1.00 50.21 H new ATOM 0 HB2 CYS A 60 11.361 7.175 -18.260 1.00 2.34 H new ATOM 0 HB3 CYS A 60 11.644 5.538 -18.816 1.00 2.34 H new