USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 628 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 104 CYS SG : rot -110:sc= -3.8! USER MOD Set 1.2: A 107 CYS SG : rot 116:sc= 1.2! USER MOD Set 1.3: A 120 HIS : no HD1:sc= -4.02! C(o=-8.3!,f=-29!) USER MOD Set 1.4: A 125 HIS : no HD1:sc= -1.66! C(o=-8.3!,f=-22!) USER MOD Set 2.1: A 72 CYS SG : rot 126:sc= -2.21! USER MOD Set 2.2: A 75 CYS SG : rot -104:sc= -3.47! USER MOD Set 2.3: A 88 HIS : no HE2:sc= -1.68! C(o=-9.2!,f=-28!) USER MOD Set 2.4: A 93 HIS : no HE2:sc= -1.85 K(o=-9.2,f=-18!) USER MOD Set 3.1: A 73 LYS NZ :NH3+ 161:sc= 1.12 (180deg=-0.239) USER MOD Set 3.2: A 101 SER OG : rot 90:sc= -0.681 USER MOD Set 3.3: A 141 GLN : amide:sc= 0.515 K(o=0.95,f=-5.6) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.345 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -2.04 K(o=-2,f=-7.6!) USER MOD Single : A 79 THR OG1 : rot 150:sc= 0.014 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0788 F(o=-0.96!,f=-0.079) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -68:sc= 1.23 USER MOD Single : A 100 SER OG : rot -28:sc= 0.441 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.236 F(o=-1.6!,f=-0.24) USER MOD Single : A 111 THR OG1 : rot 58:sc= 0.17 USER MOD Single : A 112 LYS NZ :NH3+ -128:sc= 1.17 (180deg=-0.106) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -3.82! C(o=-3.8!,f=-6.8!) USER MOD Single : A 123 LYS NZ :NH3+ 164:sc= 0.248 (180deg=0.165) USER MOD Single : A 124 TYR OH : rot -15:sc= -2.8! USER MOD Single : A 130 ASN :FLIP amide:sc= -0.509 F(o=-3.4!,f=-0.51) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl -160:sc= -0.129 (180deg=-0.62) USER MOD Single : A 137 LYS NZ :NH3+ -168:sc= 1.15 (180deg=1.02) USER MOD Single : A 139 ASN : amide:sc= -0.203 K(o=-0.2,f=-0.81) USER MOD Single : A 140 ASN : amide:sc= 0.184 X(o=0.18,f=0) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 146 GLN : amide:sc= -1.35 X(o=-1.4,f=-0.89) USER MOD Single : A 147 THR OG1 : rot -160:sc= -2.33 USER MOD Single : A 149 ASN :FLIP amide:sc= -0.632 F(o=-3.5!,f=-0.63) USER MOD Single : A 152 THR OG1 : rot -95:sc= 0.73 USER MOD ----------------------------------------------------------------- ATOM 235 N VAL A 66 -4.554 5.543 -4.464 1.00 73.21 N ATOM 236 CA VAL A 66 -4.100 5.662 -3.125 1.00 10.43 C ATOM 237 C VAL A 66 -4.365 7.131 -2.676 1.00 24.55 C ATOM 238 O VAL A 66 -4.036 8.093 -3.395 1.00 42.52 O ATOM 239 CB VAL A 66 -2.581 5.278 -3.050 1.00 45.45 C ATOM 240 CG1 VAL A 66 -1.652 6.389 -3.507 1.00 61.42 C ATOM 241 CG2 VAL A 66 -2.193 4.723 -1.703 1.00 21.14 C ATOM 0 HA VAL A 66 -4.628 4.985 -2.454 1.00 10.43 H new ATOM 0 HB VAL A 66 -2.449 4.472 -3.772 1.00 45.45 H new ATOM 0 HG11 VAL A 66 -0.618 6.054 -3.428 1.00 61.42 H new ATOM 0 HG12 VAL A 66 -1.873 6.645 -4.543 1.00 61.42 H new ATOM 0 HG13 VAL A 66 -1.798 7.267 -2.878 1.00 61.42 H new ATOM 0 HG21 VAL A 66 -1.132 4.473 -1.704 1.00 21.14 H new ATOM 0 HG22 VAL A 66 -2.389 5.468 -0.932 1.00 21.14 H new ATOM 0 HG23 VAL A 66 -2.777 3.826 -1.497 1.00 21.14 H new ATOM 251 N GLU A 67 -5.045 7.301 -1.574 1.00 34.54 N ATOM 252 CA GLU A 67 -5.387 8.635 -1.118 1.00 0.50 C ATOM 253 C GLU A 67 -4.412 9.110 -0.070 1.00 53.43 C ATOM 254 O GLU A 67 -3.500 9.868 -0.374 1.00 41.21 O ATOM 255 CB GLU A 67 -6.813 8.667 -0.589 1.00 74.11 C ATOM 256 CG GLU A 67 -7.830 8.084 -1.545 1.00 52.03 C ATOM 257 CD GLU A 67 -9.213 8.009 -0.943 1.00 72.31 C ATOM 258 OE1 GLU A 67 -9.950 9.014 -0.980 1.00 53.10 O ATOM 259 OE2 GLU A 67 -9.590 6.935 -0.410 1.00 4.24 O ATOM 0 H GLU A 67 -5.374 6.544 -0.975 1.00 34.54 H new ATOM 0 HA GLU A 67 -5.323 9.315 -1.967 1.00 0.50 H new ATOM 0 HB2 GLU A 67 -6.855 8.117 0.351 1.00 74.11 H new ATOM 0 HB3 GLU A 67 -7.086 9.699 -0.367 1.00 74.11 H new ATOM 0 HG2 GLU A 67 -7.863 8.691 -2.450 1.00 52.03 H new ATOM 0 HG3 GLU A 67 -7.512 7.085 -1.843 1.00 52.03 H new ATOM 266 N GLY A 68 -4.579 8.656 1.151 1.00 13.35 N ATOM 267 CA GLY A 68 -3.674 9.078 2.184 1.00 4.02 C ATOM 268 C GLY A 68 -3.333 7.986 3.153 1.00 53.35 C ATOM 269 O GLY A 68 -2.561 8.193 4.079 1.00 2.34 O ATOM 0 H GLY A 68 -5.314 8.012 1.444 1.00 13.35 H new ATOM 0 HA2 GLY A 68 -2.757 9.448 1.726 1.00 4.02 H new ATOM 0 HA3 GLY A 68 -4.117 9.912 2.728 1.00 4.02 H new ATOM 273 N GLY A 69 -3.880 6.816 2.939 1.00 14.51 N ATOM 274 CA GLY A 69 -3.595 5.726 3.827 1.00 44.14 C ATOM 275 C GLY A 69 -2.914 4.577 3.157 1.00 62.22 C ATOM 276 O GLY A 69 -2.243 4.742 2.158 1.00 14.35 O ATOM 0 H GLY A 69 -4.514 6.599 2.170 1.00 14.51 H new ATOM 0 HA2 GLY A 69 -2.967 6.086 4.642 1.00 44.14 H new ATOM 0 HA3 GLY A 69 -4.527 5.377 4.273 1.00 44.14 H new ATOM 280 N TYR A 70 -3.127 3.410 3.656 1.00 63.44 N ATOM 281 CA TYR A 70 -2.481 2.252 3.124 1.00 53.52 C ATOM 282 C TYR A 70 -3.464 1.474 2.313 1.00 2.04 C ATOM 283 O TYR A 70 -4.463 0.965 2.833 1.00 43.12 O ATOM 284 CB TYR A 70 -1.865 1.409 4.242 1.00 71.33 C ATOM 285 CG TYR A 70 -1.074 2.236 5.238 1.00 62.31 C ATOM 286 CD1 TYR A 70 -0.007 3.036 4.836 1.00 54.14 C ATOM 287 CD2 TYR A 70 -1.417 2.237 6.576 1.00 55.41 C ATOM 288 CE1 TYR A 70 0.686 3.811 5.747 1.00 34.53 C ATOM 289 CE2 TYR A 70 -0.736 2.999 7.481 1.00 2.15 C ATOM 290 CZ TYR A 70 0.308 3.787 7.073 1.00 61.54 C ATOM 291 OH TYR A 70 0.992 4.545 8.010 1.00 24.42 O ATOM 0 H TYR A 70 -3.751 3.227 4.442 1.00 63.44 H new ATOM 0 HA TYR A 70 -1.660 2.555 2.474 1.00 53.52 H new ATOM 0 HB2 TYR A 70 -2.658 0.877 4.768 1.00 71.33 H new ATOM 0 HB3 TYR A 70 -1.211 0.655 3.803 1.00 71.33 H new ATOM 0 HD1 TYR A 70 0.284 3.051 3.796 1.00 54.14 H new ATOM 0 HD2 TYR A 70 -2.240 1.623 6.913 1.00 55.41 H new ATOM 0 HE1 TYR A 70 1.512 4.427 5.425 1.00 34.53 H new ATOM 0 HE2 TYR A 70 -1.021 2.981 8.523 1.00 2.15 H new ATOM 0 HH TYR A 70 0.592 4.410 8.895 1.00 24.42 H new ATOM 301 N GLU A 71 -3.229 1.491 1.036 1.00 51.32 N ATOM 302 CA GLU A 71 -4.022 0.783 0.081 1.00 32.04 C ATOM 303 C GLU A 71 -3.567 -0.646 0.091 1.00 12.14 C ATOM 304 O GLU A 71 -2.389 -0.896 -0.032 1.00 25.22 O ATOM 305 CB GLU A 71 -3.773 1.365 -1.326 1.00 32.44 C ATOM 306 CG GLU A 71 -4.535 0.665 -2.438 1.00 15.53 C ATOM 307 CD GLU A 71 -3.955 0.933 -3.825 1.00 73.12 C ATOM 308 OE1 GLU A 71 -4.323 1.938 -4.467 1.00 41.21 O ATOM 309 OE2 GLU A 71 -3.117 0.125 -4.299 1.00 5.43 O ATOM 0 H GLU A 71 -2.458 2.013 0.619 1.00 51.32 H new ATOM 0 HA GLU A 71 -5.081 0.866 0.327 1.00 32.04 H new ATOM 0 HB2 GLU A 71 -4.046 2.420 -1.323 1.00 32.44 H new ATOM 0 HB3 GLU A 71 -2.706 1.313 -1.544 1.00 32.44 H new ATOM 0 HG2 GLU A 71 -4.532 -0.409 -2.251 1.00 15.53 H new ATOM 0 HG3 GLU A 71 -5.575 0.990 -2.417 1.00 15.53 H new ATOM 316 N CYS A 72 -4.455 -1.556 0.330 1.00 0.14 N ATOM 317 CA CYS A 72 -4.108 -2.935 0.173 1.00 22.12 C ATOM 318 C CYS A 72 -4.050 -3.255 -1.306 1.00 54.14 C ATOM 319 O CYS A 72 -4.915 -2.837 -2.076 1.00 14.22 O ATOM 320 CB CYS A 72 -5.150 -3.871 0.758 1.00 63.13 C ATOM 321 SG CYS A 72 -5.493 -3.802 2.558 1.00 72.20 S ATOM 0 H CYS A 72 -5.413 -1.376 0.630 1.00 0.14 H new ATOM 0 HA CYS A 72 -3.158 -3.080 0.687 1.00 22.12 H new ATOM 0 HB2 CYS A 72 -6.089 -3.686 0.236 1.00 63.13 H new ATOM 0 HB3 CYS A 72 -4.848 -4.891 0.519 1.00 63.13 H new ATOM 0 HG CYS A 72 -6.767 -3.628 2.751 1.00 72.20 H new ATOM 326 N LYS A 73 -3.091 -4.053 -1.686 1.00 13.44 N ATOM 327 CA LYS A 73 -2.994 -4.535 -3.040 1.00 12.15 C ATOM 328 C LYS A 73 -4.086 -5.586 -3.283 1.00 60.22 C ATOM 329 O LYS A 73 -4.350 -6.007 -4.410 1.00 42.13 O ATOM 330 CB LYS A 73 -1.631 -5.186 -3.225 1.00 20.20 C ATOM 331 CG LYS A 73 -1.367 -5.721 -4.618 1.00 62.15 C ATOM 332 CD LYS A 73 -0.100 -6.523 -4.661 1.00 52.53 C ATOM 333 CE LYS A 73 -0.217 -7.843 -3.906 1.00 53.41 C ATOM 334 NZ LYS A 73 1.058 -8.580 -3.924 1.00 30.13 N ATOM 0 H LYS A 73 -2.353 -4.389 -1.067 1.00 13.44 H new ATOM 0 HA LYS A 73 -3.118 -3.709 -3.741 1.00 12.15 H new ATOM 0 HB2 LYS A 73 -0.859 -4.457 -2.979 1.00 20.20 H new ATOM 0 HB3 LYS A 73 -1.535 -6.005 -2.512 1.00 20.20 H new ATOM 0 HG2 LYS A 73 -2.204 -6.342 -4.936 1.00 62.15 H new ATOM 0 HG3 LYS A 73 -1.299 -4.892 -5.322 1.00 62.15 H new ATOM 0 HD2 LYS A 73 0.163 -6.724 -5.699 1.00 52.53 H new ATOM 0 HD3 LYS A 73 0.713 -5.935 -4.234 1.00 52.53 H new ATOM 0 HE2 LYS A 73 -0.515 -7.651 -2.875 1.00 53.41 H new ATOM 0 HE3 LYS A 73 -1.000 -8.454 -4.355 1.00 53.41 H new ATOM 0 HZ1 LYS A 73 1.060 -9.288 -3.162 1.00 30.13 H new ATOM 0 HZ2 LYS A 73 1.170 -9.057 -4.841 1.00 30.13 H new ATOM 0 HZ3 LYS A 73 1.845 -7.915 -3.781 1.00 30.13 H new ATOM 348 N TYR A 74 -4.724 -5.966 -2.215 1.00 54.32 N ATOM 349 CA TYR A 74 -5.625 -7.069 -2.211 1.00 35.32 C ATOM 350 C TYR A 74 -7.059 -6.661 -1.914 1.00 65.44 C ATOM 351 O TYR A 74 -7.944 -7.502 -1.906 1.00 10.11 O ATOM 352 CB TYR A 74 -5.111 -8.151 -1.229 1.00 23.34 C ATOM 353 CG TYR A 74 -3.836 -7.745 -0.471 1.00 63.54 C ATOM 354 CD1 TYR A 74 -2.576 -7.972 -1.014 1.00 25.01 C ATOM 355 CD2 TYR A 74 -3.900 -7.133 0.766 1.00 73.44 C ATOM 356 CE1 TYR A 74 -1.431 -7.597 -0.337 1.00 13.51 C ATOM 357 CE2 TYR A 74 -2.760 -6.759 1.449 1.00 25.12 C ATOM 358 CZ TYR A 74 -1.529 -6.993 0.893 1.00 3.43 C ATOM 359 OH TYR A 74 -0.389 -6.617 1.563 1.00 4.23 O ATOM 0 H TYR A 74 -4.628 -5.507 -1.309 1.00 54.32 H new ATOM 0 HA TYR A 74 -5.651 -7.488 -3.217 1.00 35.32 H new ATOM 0 HB2 TYR A 74 -5.896 -8.375 -0.507 1.00 23.34 H new ATOM 0 HB3 TYR A 74 -4.916 -9.069 -1.784 1.00 23.34 H new ATOM 0 HD1 TYR A 74 -2.491 -8.449 -1.979 1.00 25.01 H new ATOM 0 HD2 TYR A 74 -4.866 -6.942 1.210 1.00 73.44 H new ATOM 0 HE1 TYR A 74 -0.460 -7.779 -0.774 1.00 13.51 H new ATOM 0 HE2 TYR A 74 -2.838 -6.285 2.416 1.00 25.12 H new ATOM 0 HH TYR A 74 -0.633 -6.203 2.417 1.00 4.23 H new ATOM 369 N CYS A 75 -7.306 -5.380 -1.708 1.00 54.52 N ATOM 370 CA CYS A 75 -8.675 -4.962 -1.444 1.00 32.31 C ATOM 371 C CYS A 75 -8.971 -3.546 -1.885 1.00 4.32 C ATOM 372 O CYS A 75 -8.070 -2.783 -2.234 1.00 62.31 O ATOM 373 CB CYS A 75 -9.098 -5.197 0.021 1.00 31.22 C ATOM 374 SG CYS A 75 -8.196 -4.258 1.329 1.00 74.13 S ATOM 0 H CYS A 75 -6.609 -4.635 -1.717 1.00 54.52 H new ATOM 0 HA CYS A 75 -9.290 -5.611 -2.067 1.00 32.31 H new ATOM 0 HB2 CYS A 75 -10.158 -4.960 0.107 1.00 31.22 H new ATOM 0 HB3 CYS A 75 -8.991 -6.260 0.236 1.00 31.22 H new ATOM 0 HG CYS A 75 -7.360 -5.049 1.933 1.00 74.13 H new ATOM 379 N THR A 76 -10.240 -3.218 -1.861 1.00 61.21 N ATOM 380 CA THR A 76 -10.736 -1.917 -2.219 1.00 34.34 C ATOM 381 C THR A 76 -10.710 -0.979 -0.976 1.00 25.42 C ATOM 382 O THR A 76 -11.029 0.205 -1.056 1.00 43.04 O ATOM 383 CB THR A 76 -12.196 -2.079 -2.749 1.00 45.11 C ATOM 384 OG1 THR A 76 -12.211 -3.089 -3.781 1.00 51.32 O ATOM 385 CG2 THR A 76 -12.747 -0.779 -3.329 1.00 64.13 C ATOM 0 H THR A 76 -10.975 -3.869 -1.584 1.00 61.21 H new ATOM 0 HA THR A 76 -10.110 -1.473 -2.993 1.00 34.34 H new ATOM 0 HB THR A 76 -12.825 -2.365 -1.906 1.00 45.11 H new ATOM 0 HG1 THR A 76 -13.125 -3.198 -4.118 1.00 51.32 H new ATOM 0 HG21 THR A 76 -13.764 -0.942 -3.685 1.00 64.13 H new ATOM 0 HG22 THR A 76 -12.751 -0.009 -2.557 1.00 64.13 H new ATOM 0 HG23 THR A 76 -12.120 -0.457 -4.160 1.00 64.13 H new ATOM 393 N PHE A 77 -10.302 -1.510 0.161 1.00 71.22 N ATOM 394 CA PHE A 77 -10.308 -0.743 1.384 1.00 55.13 C ATOM 395 C PHE A 77 -8.912 -0.252 1.755 1.00 74.41 C ATOM 396 O PHE A 77 -7.969 -1.049 1.911 1.00 54.12 O ATOM 397 CB PHE A 77 -10.937 -1.552 2.536 1.00 62.13 C ATOM 398 CG PHE A 77 -10.982 -0.812 3.851 1.00 74.40 C ATOM 399 CD1 PHE A 77 -11.864 0.239 4.035 1.00 10.11 C ATOM 400 CD2 PHE A 77 -10.141 -1.168 4.895 1.00 1.43 C ATOM 401 CE1 PHE A 77 -11.906 0.922 5.235 1.00 40.34 C ATOM 402 CE2 PHE A 77 -10.180 -0.490 6.096 1.00 23.43 C ATOM 403 CZ PHE A 77 -11.062 0.556 6.267 1.00 34.21 C ATOM 0 H PHE A 77 -9.964 -2.467 0.259 1.00 71.22 H new ATOM 0 HA PHE A 77 -10.923 0.140 1.212 1.00 55.13 H new ATOM 0 HB2 PHE A 77 -11.951 -1.836 2.256 1.00 62.13 H new ATOM 0 HB3 PHE A 77 -10.373 -2.475 2.669 1.00 62.13 H new ATOM 0 HD1 PHE A 77 -12.526 0.528 3.232 1.00 10.11 H new ATOM 0 HD2 PHE A 77 -9.447 -1.986 4.766 1.00 1.43 H new ATOM 0 HE1 PHE A 77 -12.597 1.741 5.367 1.00 40.34 H new ATOM 0 HE2 PHE A 77 -9.520 -0.778 6.901 1.00 23.43 H new ATOM 0 HZ PHE A 77 -11.093 1.089 7.206 1.00 34.21 H new ATOM 413 N GLN A 78 -8.793 1.044 1.885 1.00 31.54 N ATOM 414 CA GLN A 78 -7.585 1.689 2.316 1.00 4.05 C ATOM 415 C GLN A 78 -7.784 2.259 3.706 1.00 62.11 C ATOM 416 O GLN A 78 -8.849 2.779 4.015 1.00 74.34 O ATOM 417 CB GLN A 78 -7.185 2.806 1.335 1.00 2.20 C ATOM 418 CG GLN A 78 -6.287 3.875 1.938 1.00 1.43 C ATOM 419 CD GLN A 78 -5.698 4.812 0.929 1.00 25.33 C ATOM 420 OE1 GLN A 78 -6.263 5.820 0.584 1.00 40.42 O ATOM 421 NE2 GLN A 78 -4.517 4.528 0.540 1.00 74.05 N ATOM 0 H GLN A 78 -9.554 1.694 1.689 1.00 31.54 H new ATOM 0 HA GLN A 78 -6.781 0.953 2.339 1.00 4.05 H new ATOM 0 HB2 GLN A 78 -6.675 2.359 0.481 1.00 2.20 H new ATOM 0 HB3 GLN A 78 -8.089 3.280 0.954 1.00 2.20 H new ATOM 0 HG2 GLN A 78 -6.861 4.452 2.663 1.00 1.43 H new ATOM 0 HG3 GLN A 78 -5.478 3.390 2.485 1.00 1.43 H new ATOM 0 HE21 GLN A 78 -4.071 3.666 0.853 1.00 74.05 H new ATOM 0 HE22 GLN A 78 -4.019 5.163 -0.084 1.00 74.05 H new ATOM 430 N THR A 79 -6.779 2.151 4.522 1.00 11.24 N ATOM 431 CA THR A 79 -6.825 2.725 5.838 1.00 74.34 C ATOM 432 C THR A 79 -5.477 3.360 6.179 1.00 51.52 C ATOM 433 O THR A 79 -4.432 2.751 5.998 1.00 52.34 O ATOM 434 CB THR A 79 -7.263 1.707 6.935 1.00 23.54 C ATOM 435 OG1 THR A 79 -7.273 2.342 8.219 1.00 1.41 O ATOM 436 CG2 THR A 79 -6.344 0.498 6.987 1.00 41.35 C ATOM 0 H THR A 79 -5.909 1.667 4.299 1.00 11.24 H new ATOM 0 HA THR A 79 -7.593 3.498 5.825 1.00 74.34 H new ATOM 0 HB THR A 79 -8.265 1.364 6.676 1.00 23.54 H new ATOM 0 HG1 THR A 79 -7.955 1.924 8.785 1.00 1.41 H new ATOM 0 HG21 THR A 79 -6.685 -0.185 7.765 1.00 41.35 H new ATOM 0 HG22 THR A 79 -6.359 -0.012 6.024 1.00 41.35 H new ATOM 0 HG23 THR A 79 -5.328 0.823 7.210 1.00 41.35 H new ATOM 444 N PRO A 80 -5.475 4.642 6.552 1.00 12.52 N ATOM 445 CA PRO A 80 -4.265 5.347 6.998 1.00 65.51 C ATOM 446 C PRO A 80 -3.767 4.884 8.362 1.00 3.11 C ATOM 447 O PRO A 80 -2.680 5.266 8.800 1.00 31.25 O ATOM 448 CB PRO A 80 -4.688 6.818 7.039 1.00 11.40 C ATOM 449 CG PRO A 80 -6.171 6.786 7.171 1.00 12.50 C ATOM 450 CD PRO A 80 -6.634 5.546 6.462 1.00 65.31 C ATOM 0 HA PRO A 80 -3.427 5.155 6.328 1.00 65.51 H new ATOM 0 HB2 PRO A 80 -4.228 7.338 7.879 1.00 11.40 H new ATOM 0 HB3 PRO A 80 -4.383 7.342 6.133 1.00 11.40 H new ATOM 0 HG2 PRO A 80 -6.467 6.767 8.220 1.00 12.50 H new ATOM 0 HG3 PRO A 80 -6.619 7.676 6.729 1.00 12.50 H new ATOM 0 HD2 PRO A 80 -7.515 5.117 6.939 1.00 65.31 H new ATOM 0 HD3 PRO A 80 -6.901 5.753 5.426 1.00 65.31 H new ATOM 458 N ASP A 81 -4.538 4.059 9.019 1.00 53.41 N ATOM 459 CA ASP A 81 -4.158 3.545 10.304 1.00 70.51 C ATOM 460 C ASP A 81 -3.492 2.222 10.126 1.00 14.20 C ATOM 461 O ASP A 81 -4.134 1.254 9.728 1.00 72.12 O ATOM 462 CB ASP A 81 -5.358 3.405 11.240 1.00 62.33 C ATOM 463 CG ASP A 81 -5.931 4.726 11.670 1.00 14.22 C ATOM 464 OD1 ASP A 81 -5.303 5.412 12.503 1.00 11.52 O ATOM 465 OD2 ASP A 81 -7.009 5.109 11.188 1.00 45.34 O ATOM 0 H ASP A 81 -5.441 3.727 8.680 1.00 53.41 H new ATOM 0 HA ASP A 81 -3.469 4.253 10.763 1.00 70.51 H new ATOM 0 HB2 ASP A 81 -6.134 2.825 10.741 1.00 62.33 H new ATOM 0 HB3 ASP A 81 -5.058 2.842 12.124 1.00 62.33 H new ATOM 470 N LEU A 82 -2.196 2.186 10.389 1.00 72.12 N ATOM 471 CA LEU A 82 -1.385 0.992 10.269 1.00 71.42 C ATOM 472 C LEU A 82 -2.009 -0.134 11.078 1.00 1.11 C ATOM 473 O LEU A 82 -2.112 -1.243 10.592 1.00 31.00 O ATOM 474 CB LEU A 82 0.043 1.274 10.779 1.00 0.42 C ATOM 475 CG LEU A 82 1.214 0.440 10.183 1.00 72.33 C ATOM 476 CD1 LEU A 82 0.991 -1.048 10.299 1.00 5.42 C ATOM 477 CD2 LEU A 82 1.450 0.816 8.747 1.00 21.03 C ATOM 0 H LEU A 82 -1.671 3.004 10.698 1.00 72.12 H new ATOM 0 HA LEU A 82 -1.336 0.696 9.221 1.00 71.42 H new ATOM 0 HB2 LEU A 82 0.259 2.327 10.599 1.00 0.42 H new ATOM 0 HB3 LEU A 82 0.046 1.128 11.859 1.00 0.42 H new ATOM 0 HG LEU A 82 2.099 0.678 10.773 1.00 72.33 H new ATOM 0 HD11 LEU A 82 1.840 -1.578 9.867 1.00 5.42 H new ATOM 0 HD12 LEU A 82 0.890 -1.320 11.350 1.00 5.42 H new ATOM 0 HD13 LEU A 82 0.082 -1.322 9.764 1.00 5.42 H new ATOM 0 HD21 LEU A 82 2.272 0.223 8.346 1.00 21.03 H new ATOM 0 HD22 LEU A 82 0.547 0.623 8.167 1.00 21.03 H new ATOM 0 HD23 LEU A 82 1.702 1.875 8.685 1.00 21.03 H new ATOM 489 N ASN A 83 -2.471 0.182 12.286 1.00 61.01 N ATOM 490 CA ASN A 83 -3.063 -0.790 13.182 1.00 0.23 C ATOM 491 C ASN A 83 -4.227 -1.475 12.502 1.00 34.25 C ATOM 492 O ASN A 83 -4.344 -2.678 12.548 1.00 41.41 O ATOM 493 CB ASN A 83 -3.562 -0.094 14.444 1.00 71.20 C ATOM 494 CG ASN A 83 -3.786 -1.026 15.636 1.00 72.22 C ATOM 495 OD1 ASN A 83 -4.159 -2.247 15.403 1.00 54.40 O flip ATOM 496 ND2 ASN A 83 -3.605 -0.621 16.782 1.00 2.32 N flip ATOM 0 H ASN A 83 -2.442 1.128 12.667 1.00 61.01 H new ATOM 0 HA ASN A 83 -2.308 -1.530 13.446 1.00 0.23 H new ATOM 0 HB2 ASN A 83 -2.842 0.673 14.729 1.00 71.20 H new ATOM 0 HB3 ASN A 83 -4.498 0.416 14.217 1.00 71.20 H new ATOM 0 HD21 ASN A 83 -3.312 0.343 16.942 1.00 2.32 H new ATOM 0 HD22 ASN A 83 -3.748 -1.249 17.573 1.00 2.32 H new ATOM 503 N MET A 84 -5.054 -0.700 11.837 1.00 14.23 N ATOM 504 CA MET A 84 -6.229 -1.239 11.160 1.00 54.41 C ATOM 505 C MET A 84 -5.812 -1.935 9.900 1.00 42.33 C ATOM 506 O MET A 84 -6.419 -2.933 9.494 1.00 3.31 O ATOM 507 CB MET A 84 -7.233 -0.140 10.824 1.00 35.53 C ATOM 508 CG MET A 84 -7.702 0.645 12.019 1.00 33.42 C ATOM 509 SD MET A 84 -8.574 -0.376 13.223 1.00 32.41 S ATOM 510 CE MET A 84 -8.924 0.831 14.500 1.00 24.32 C ATOM 0 H MET A 84 -4.941 0.310 11.746 1.00 14.23 H new ATOM 0 HA MET A 84 -6.710 -1.946 11.835 1.00 54.41 H new ATOM 0 HB2 MET A 84 -6.780 0.545 10.107 1.00 35.53 H new ATOM 0 HB3 MET A 84 -8.097 -0.589 10.335 1.00 35.53 H new ATOM 0 HG2 MET A 84 -6.844 1.114 12.500 1.00 33.42 H new ATOM 0 HG3 MET A 84 -8.359 1.448 11.686 1.00 33.42 H new ATOM 0 HE1 MET A 84 -9.462 0.351 15.317 1.00 24.32 H new ATOM 0 HE2 MET A 84 -7.988 1.245 14.876 1.00 24.32 H new ATOM 0 HE3 MET A 84 -9.535 1.633 14.085 1.00 24.32 H new ATOM 520 N PHE A 85 -4.772 -1.419 9.280 1.00 4.53 N ATOM 521 CA PHE A 85 -4.254 -2.007 8.072 1.00 33.42 C ATOM 522 C PHE A 85 -3.724 -3.396 8.342 1.00 13.01 C ATOM 523 O PHE A 85 -4.241 -4.359 7.816 1.00 71.21 O ATOM 524 CB PHE A 85 -3.146 -1.119 7.473 1.00 41.32 C ATOM 525 CG PHE A 85 -2.412 -1.753 6.322 1.00 30.21 C ATOM 526 CD1 PHE A 85 -2.971 -1.789 5.048 1.00 74.41 C ATOM 527 CD2 PHE A 85 -1.160 -2.321 6.521 1.00 73.21 C ATOM 528 CE1 PHE A 85 -2.293 -2.379 3.998 1.00 5.44 C ATOM 529 CE2 PHE A 85 -0.480 -2.911 5.474 1.00 30.02 C ATOM 530 CZ PHE A 85 -1.048 -2.938 4.211 1.00 25.30 C ATOM 0 H PHE A 85 -4.270 -0.590 9.598 1.00 4.53 H new ATOM 0 HA PHE A 85 -5.068 -2.082 7.351 1.00 33.42 H new ATOM 0 HB2 PHE A 85 -3.588 -0.181 7.137 1.00 41.32 H new ATOM 0 HB3 PHE A 85 -2.429 -0.871 8.256 1.00 41.32 H new ATOM 0 HD1 PHE A 85 -3.944 -1.352 4.878 1.00 74.41 H new ATOM 0 HD2 PHE A 85 -0.714 -2.301 7.504 1.00 73.21 H new ATOM 0 HE1 PHE A 85 -2.736 -2.403 3.013 1.00 5.44 H new ATOM 0 HE2 PHE A 85 0.493 -3.350 5.640 1.00 30.02 H new ATOM 0 HZ PHE A 85 -0.516 -3.397 3.391 1.00 25.30 H new ATOM 540 N THR A 86 -2.814 -3.497 9.266 1.00 75.41 N ATOM 541 CA THR A 86 -2.154 -4.745 9.529 1.00 4.31 C ATOM 542 C THR A 86 -3.113 -5.725 10.228 1.00 64.25 C ATOM 543 O THR A 86 -2.998 -6.950 10.062 1.00 13.41 O ATOM 544 CB THR A 86 -0.808 -4.533 10.306 1.00 55.52 C ATOM 545 OG1 THR A 86 -0.058 -5.747 10.401 1.00 3.10 O ATOM 546 CG2 THR A 86 -1.048 -3.973 11.690 1.00 51.44 C ATOM 0 H THR A 86 -2.509 -2.723 9.856 1.00 75.41 H new ATOM 0 HA THR A 86 -1.876 -5.201 8.579 1.00 4.31 H new ATOM 0 HB THR A 86 -0.228 -3.810 9.733 1.00 55.52 H new ATOM 0 HG1 THR A 86 0.775 -5.580 10.889 1.00 3.10 H new ATOM 0 HG21 THR A 86 -0.093 -3.839 12.199 1.00 51.44 H new ATOM 0 HG22 THR A 86 -1.555 -3.011 11.611 1.00 51.44 H new ATOM 0 HG23 THR A 86 -1.669 -4.664 12.260 1.00 51.44 H new ATOM 554 N PHE A 87 -4.102 -5.179 10.945 1.00 71.24 N ATOM 555 CA PHE A 87 -5.113 -5.991 11.572 1.00 53.13 C ATOM 556 C PHE A 87 -5.971 -6.659 10.521 1.00 74.24 C ATOM 557 O PHE A 87 -6.115 -7.897 10.515 1.00 45.41 O ATOM 558 CB PHE A 87 -5.972 -5.157 12.539 1.00 34.12 C ATOM 559 CG PHE A 87 -7.315 -5.756 12.861 1.00 22.34 C ATOM 560 CD1 PHE A 87 -7.417 -7.006 13.444 1.00 30.42 C ATOM 561 CD2 PHE A 87 -8.473 -5.057 12.577 1.00 60.42 C ATOM 562 CE1 PHE A 87 -8.653 -7.550 13.735 1.00 43.43 C ATOM 563 CE2 PHE A 87 -9.709 -5.595 12.862 1.00 22.02 C ATOM 564 CZ PHE A 87 -9.800 -6.844 13.442 1.00 32.53 C ATOM 0 H PHE A 87 -4.211 -4.176 11.097 1.00 71.24 H new ATOM 0 HA PHE A 87 -4.619 -6.766 12.158 1.00 53.13 H new ATOM 0 HB2 PHE A 87 -5.419 -5.018 13.468 1.00 34.12 H new ATOM 0 HB3 PHE A 87 -6.124 -4.168 12.108 1.00 34.12 H new ATOM 0 HD1 PHE A 87 -6.521 -7.563 13.674 1.00 30.42 H new ATOM 0 HD2 PHE A 87 -8.408 -4.078 12.126 1.00 60.42 H new ATOM 0 HE1 PHE A 87 -8.720 -8.527 14.191 1.00 43.43 H new ATOM 0 HE2 PHE A 87 -10.606 -5.040 12.632 1.00 22.02 H new ATOM 0 HZ PHE A 87 -10.768 -7.267 13.666 1.00 32.53 H new ATOM 574 N HIS A 88 -6.514 -5.862 9.610 1.00 54.54 N ATOM 575 CA HIS A 88 -7.374 -6.404 8.600 1.00 1.32 C ATOM 576 C HIS A 88 -6.571 -7.241 7.618 1.00 34.24 C ATOM 577 O HIS A 88 -7.085 -8.134 7.021 1.00 54.31 O ATOM 578 CB HIS A 88 -8.316 -5.354 7.943 1.00 54.33 C ATOM 579 CG HIS A 88 -7.824 -4.633 6.721 1.00 43.42 C ATOM 580 ND1 HIS A 88 -7.244 -3.391 6.735 1.00 41.11 N ATOM 581 CD2 HIS A 88 -7.933 -4.988 5.423 1.00 24.20 C ATOM 582 CE1 HIS A 88 -7.027 -3.018 5.477 1.00 11.45 C ATOM 583 NE2 HIS A 88 -7.438 -3.973 4.609 1.00 60.32 N ATOM 0 H HIS A 88 -6.369 -4.854 9.560 1.00 54.54 H new ATOM 0 HA HIS A 88 -8.077 -7.079 9.088 1.00 1.32 H new ATOM 0 HB2 HIS A 88 -9.247 -5.858 7.682 1.00 54.33 H new ATOM 0 HB3 HIS A 88 -8.559 -4.606 8.697 1.00 54.33 H new ATOM 0 HD1 HIS A 88 -7.018 -2.846 7.567 1.00 41.11 H new ATOM 0 HD2 HIS A 88 -8.344 -5.922 5.068 1.00 24.20 H new ATOM 0 HE1 HIS A 88 -6.582 -2.078 5.186 1.00 11.45 H new ATOM 591 N VAL A 89 -5.308 -6.922 7.454 1.00 33.41 N ATOM 592 CA VAL A 89 -4.432 -7.732 6.637 1.00 14.44 C ATOM 593 C VAL A 89 -4.280 -9.112 7.263 1.00 72.35 C ATOM 594 O VAL A 89 -4.571 -10.075 6.637 1.00 12.31 O ATOM 595 CB VAL A 89 -3.050 -7.071 6.405 1.00 41.45 C ATOM 596 CG1 VAL A 89 -2.066 -8.051 5.790 1.00 15.52 C ATOM 597 CG2 VAL A 89 -3.184 -5.877 5.484 1.00 64.03 C ATOM 0 H VAL A 89 -4.863 -6.107 7.876 1.00 33.41 H new ATOM 0 HA VAL A 89 -4.891 -7.828 5.653 1.00 14.44 H new ATOM 0 HB VAL A 89 -2.675 -6.752 7.378 1.00 41.45 H new ATOM 0 HG11 VAL A 89 -1.106 -7.557 5.640 1.00 15.52 H new ATOM 0 HG12 VAL A 89 -1.935 -8.903 6.458 1.00 15.52 H new ATOM 0 HG13 VAL A 89 -2.450 -8.398 4.831 1.00 15.52 H new ATOM 0 HG21 VAL A 89 -2.205 -5.424 5.331 1.00 64.03 H new ATOM 0 HG22 VAL A 89 -3.588 -6.201 4.525 1.00 64.03 H new ATOM 0 HG23 VAL A 89 -3.856 -5.145 5.932 1.00 64.03 H new ATOM 607 N ASP A 90 -3.929 -9.181 8.534 1.00 62.11 N ATOM 608 CA ASP A 90 -3.759 -10.494 9.214 1.00 2.50 C ATOM 609 C ASP A 90 -5.070 -11.263 9.238 1.00 42.13 C ATOM 610 O ASP A 90 -5.096 -12.491 9.204 1.00 74.14 O ATOM 611 CB ASP A 90 -3.252 -10.295 10.644 1.00 44.33 C ATOM 612 CG ASP A 90 -3.258 -11.560 11.497 1.00 74.33 C ATOM 613 OD1 ASP A 90 -2.298 -12.351 11.436 1.00 0.30 O ATOM 614 OD2 ASP A 90 -4.229 -11.762 12.276 1.00 13.04 O ATOM 0 H ASP A 90 -3.754 -8.369 9.126 1.00 62.11 H new ATOM 0 HA ASP A 90 -3.024 -11.071 8.652 1.00 2.50 H new ATOM 0 HB2 ASP A 90 -2.236 -9.903 10.605 1.00 44.33 H new ATOM 0 HB3 ASP A 90 -3.867 -9.539 11.133 1.00 44.33 H new ATOM 619 N SER A 91 -6.141 -10.534 9.255 1.00 4.21 N ATOM 620 CA SER A 91 -7.445 -11.124 9.338 1.00 54.35 C ATOM 621 C SER A 91 -7.983 -11.516 7.956 1.00 74.34 C ATOM 622 O SER A 91 -8.417 -12.649 7.748 1.00 44.22 O ATOM 623 CB SER A 91 -8.418 -10.149 10.034 1.00 74.22 C ATOM 624 OG SER A 91 -9.683 -10.748 10.297 1.00 73.22 O ATOM 0 H SER A 91 -6.139 -9.515 9.212 1.00 4.21 H new ATOM 0 HA SER A 91 -7.362 -12.037 9.927 1.00 54.35 H new ATOM 0 HB2 SER A 91 -7.978 -9.806 10.971 1.00 74.22 H new ATOM 0 HB3 SER A 91 -8.558 -9.269 9.407 1.00 74.22 H new ATOM 0 HG SER A 91 -10.146 -10.919 9.451 1.00 73.22 H new ATOM 630 N GLU A 92 -7.907 -10.615 7.016 1.00 4.52 N ATOM 631 CA GLU A 92 -8.618 -10.789 5.758 1.00 54.03 C ATOM 632 C GLU A 92 -7.688 -11.087 4.607 1.00 4.21 C ATOM 633 O GLU A 92 -8.119 -11.593 3.574 1.00 70.24 O ATOM 634 CB GLU A 92 -9.439 -9.536 5.448 1.00 63.33 C ATOM 635 CG GLU A 92 -10.326 -9.076 6.595 1.00 22.01 C ATOM 636 CD GLU A 92 -11.331 -10.116 7.047 1.00 61.01 C ATOM 637 OE1 GLU A 92 -12.402 -10.261 6.396 1.00 24.43 O ATOM 638 OE2 GLU A 92 -11.105 -10.772 8.084 1.00 44.35 O ATOM 0 H GLU A 92 -7.366 -9.753 7.086 1.00 4.52 H new ATOM 0 HA GLU A 92 -9.277 -11.649 5.875 1.00 54.03 H new ATOM 0 HB2 GLU A 92 -8.760 -8.726 5.181 1.00 63.33 H new ATOM 0 HB3 GLU A 92 -10.063 -9.730 4.575 1.00 63.33 H new ATOM 0 HG2 GLU A 92 -9.696 -8.801 7.441 1.00 22.01 H new ATOM 0 HG3 GLU A 92 -10.861 -8.176 6.290 1.00 22.01 H new ATOM 645 N HIS A 93 -6.420 -10.781 4.767 1.00 12.44 N ATOM 646 CA HIS A 93 -5.443 -11.036 3.697 1.00 50.42 C ATOM 647 C HIS A 93 -4.163 -11.652 4.303 1.00 3.30 C ATOM 648 O HIS A 93 -3.052 -11.162 4.044 1.00 3.12 O ATOM 649 CB HIS A 93 -5.033 -9.732 2.975 1.00 5.24 C ATOM 650 CG HIS A 93 -6.086 -8.654 2.809 1.00 55.42 C ATOM 651 ND1 HIS A 93 -7.247 -8.799 2.095 1.00 1.31 N ATOM 652 CD2 HIS A 93 -6.091 -7.370 3.281 1.00 25.31 C ATOM 653 CE1 HIS A 93 -7.916 -7.645 2.145 1.00 52.01 C ATOM 654 NE2 HIS A 93 -7.243 -6.716 2.859 1.00 33.25 N ATOM 0 H HIS A 93 -6.031 -10.360 5.611 1.00 12.44 H new ATOM 0 HA HIS A 93 -5.913 -11.712 2.983 1.00 50.42 H new ATOM 0 HB2 HIS A 93 -4.193 -9.299 3.518 1.00 5.24 H new ATOM 0 HB3 HIS A 93 -4.668 -9.999 1.983 1.00 5.24 H new ATOM 0 HD1 HIS A 93 -7.548 -9.644 1.609 1.00 1.31 H new ATOM 0 HD2 HIS A 93 -5.316 -6.930 3.891 1.00 25.31 H new ATOM 0 HE1 HIS A 93 -8.873 -7.475 1.675 1.00 52.01 H new ATOM 755 N SER A 100 4.126 -9.614 -9.362 1.00 24.22 N ATOM 756 CA SER A 100 5.097 -8.607 -9.067 1.00 74.31 C ATOM 757 C SER A 100 4.355 -7.422 -8.487 1.00 2.42 C ATOM 758 O SER A 100 3.283 -7.054 -8.992 1.00 21.32 O ATOM 759 CB SER A 100 5.825 -8.245 -10.365 1.00 15.45 C ATOM 760 OG SER A 100 4.891 -8.149 -11.438 1.00 0.33 O ATOM 0 HA SER A 100 5.842 -8.945 -8.347 1.00 74.31 H new ATOM 0 HB2 SER A 100 6.351 -7.298 -10.244 1.00 15.45 H new ATOM 0 HB3 SER A 100 6.577 -9.001 -10.593 1.00 15.45 H new ATOM 0 HG SER A 100 4.129 -8.740 -11.263 1.00 0.33 H new ATOM 766 N SER A 101 4.811 -6.904 -7.369 1.00 24.21 N ATOM 767 CA SER A 101 4.183 -5.782 -6.764 1.00 33.24 C ATOM 768 C SER A 101 5.229 -4.990 -6.013 1.00 20.33 C ATOM 769 O SER A 101 6.352 -5.477 -5.832 1.00 70.12 O ATOM 770 CB SER A 101 3.149 -6.281 -5.782 1.00 74.45 C ATOM 771 OG SER A 101 2.319 -7.305 -6.352 1.00 22.52 O ATOM 0 H SER A 101 5.625 -7.257 -6.866 1.00 24.21 H new ATOM 0 HA SER A 101 3.711 -5.156 -7.521 1.00 33.24 H new ATOM 0 HB2 SER A 101 3.649 -6.671 -4.895 1.00 74.45 H new ATOM 0 HB3 SER A 101 2.526 -5.448 -5.456 1.00 74.45 H new ATOM 0 HG SER A 101 2.723 -8.183 -6.187 1.00 22.52 H new ATOM 777 N TYR A 102 4.860 -3.814 -5.571 1.00 72.04 N ATOM 778 CA TYR A 102 5.728 -2.956 -4.804 1.00 54.20 C ATOM 779 C TYR A 102 5.118 -2.699 -3.452 1.00 54.04 C ATOM 780 O TYR A 102 3.885 -2.625 -3.322 1.00 60.42 O ATOM 781 CB TYR A 102 5.927 -1.631 -5.504 1.00 41.11 C ATOM 782 CG TYR A 102 7.082 -1.535 -6.478 1.00 75.12 C ATOM 783 CD1 TYR A 102 7.475 -2.600 -7.273 1.00 71.43 C ATOM 784 CD2 TYR A 102 7.763 -0.339 -6.609 1.00 12.22 C ATOM 785 CE1 TYR A 102 8.522 -2.468 -8.170 1.00 51.11 C ATOM 786 CE2 TYR A 102 8.802 -0.200 -7.496 1.00 21.41 C ATOM 787 CZ TYR A 102 9.180 -1.262 -8.273 1.00 13.13 C ATOM 788 OH TYR A 102 10.219 -1.117 -9.164 1.00 64.15 O ATOM 0 H TYR A 102 3.934 -3.420 -5.736 1.00 72.04 H new ATOM 0 HA TYR A 102 6.692 -3.454 -4.697 1.00 54.20 H new ATOM 0 HB2 TYR A 102 5.010 -1.391 -6.042 1.00 41.11 H new ATOM 0 HB3 TYR A 102 6.061 -0.862 -4.743 1.00 41.11 H new ATOM 0 HD1 TYR A 102 6.958 -3.545 -7.192 1.00 71.43 H new ATOM 0 HD2 TYR A 102 7.471 0.504 -6.000 1.00 12.22 H new ATOM 0 HE1 TYR A 102 8.820 -3.305 -8.784 1.00 51.11 H new ATOM 0 HE2 TYR A 102 9.319 0.744 -7.580 1.00 21.41 H new ATOM 0 HH TYR A 102 10.571 -0.204 -9.110 1.00 64.15 H new ATOM 798 N VAL A 103 5.953 -2.597 -2.467 1.00 50.13 N ATOM 799 CA VAL A 103 5.531 -2.339 -1.118 1.00 1.22 C ATOM 800 C VAL A 103 6.445 -1.277 -0.496 1.00 23.34 C ATOM 801 O VAL A 103 7.633 -1.228 -0.779 1.00 32.24 O ATOM 802 CB VAL A 103 5.597 -3.666 -0.282 1.00 61.42 C ATOM 803 CG1 VAL A 103 6.957 -4.186 -0.257 1.00 1.12 C ATOM 804 CG2 VAL A 103 5.135 -3.519 1.128 1.00 60.31 C ATOM 0 H VAL A 103 6.963 -2.691 -2.574 1.00 50.13 H new ATOM 0 HA VAL A 103 4.504 -1.973 -1.117 1.00 1.22 H new ATOM 0 HB VAL A 103 4.916 -4.352 -0.785 1.00 61.42 H new ATOM 0 HG11 VAL A 103 6.984 -5.106 0.327 1.00 1.12 H new ATOM 0 HG12 VAL A 103 7.286 -4.393 -1.275 1.00 1.12 H new ATOM 0 HG13 VAL A 103 7.620 -3.449 0.196 1.00 1.12 H new ATOM 0 HG21 VAL A 103 5.211 -4.479 1.638 1.00 60.31 H new ATOM 0 HG22 VAL A 103 5.758 -2.785 1.640 1.00 60.31 H new ATOM 0 HG23 VAL A 103 4.098 -3.185 1.138 1.00 60.31 H new ATOM 814 N CYS A 104 5.895 -0.418 0.302 1.00 34.32 N ATOM 815 CA CYS A 104 6.701 0.526 1.043 1.00 21.33 C ATOM 816 C CYS A 104 7.150 -0.210 2.236 1.00 14.43 C ATOM 817 O CYS A 104 6.354 -0.457 3.082 1.00 11.23 O ATOM 818 CB CYS A 104 5.853 1.760 1.444 1.00 20.23 C ATOM 819 SG CYS A 104 6.615 3.025 2.625 1.00 42.32 S ATOM 0 H CYS A 104 4.891 -0.343 0.464 1.00 34.32 H new ATOM 0 HA CYS A 104 7.541 0.901 0.458 1.00 21.33 H new ATOM 0 HB2 CYS A 104 5.575 2.284 0.529 1.00 20.23 H new ATOM 0 HB3 CYS A 104 4.930 1.397 1.896 1.00 20.23 H new ATOM 0 HG CYS A 104 6.013 2.962 3.775 1.00 42.32 H new ATOM 824 N VAL A 105 8.403 -0.635 2.263 1.00 13.34 N ATOM 825 CA VAL A 105 8.961 -1.410 3.380 1.00 4.42 C ATOM 826 C VAL A 105 8.741 -0.683 4.680 1.00 72.11 C ATOM 827 O VAL A 105 8.423 -1.290 5.689 1.00 55.15 O ATOM 828 CB VAL A 105 10.476 -1.618 3.244 1.00 74.24 C ATOM 829 CG1 VAL A 105 10.849 -3.006 3.551 1.00 75.11 C ATOM 830 CG2 VAL A 105 10.972 -1.254 1.900 1.00 52.15 C ATOM 0 H VAL A 105 9.071 -0.456 1.513 1.00 13.34 H new ATOM 0 HA VAL A 105 8.453 -2.374 3.364 1.00 4.42 H new ATOM 0 HB VAL A 105 10.946 -0.952 3.968 1.00 74.24 H new ATOM 0 HG11 VAL A 105 11.927 -3.125 3.447 1.00 75.11 H new ATOM 0 HG12 VAL A 105 10.555 -3.244 4.573 1.00 75.11 H new ATOM 0 HG13 VAL A 105 10.341 -3.680 2.861 1.00 75.11 H new ATOM 0 HG21 VAL A 105 12.049 -1.418 1.853 1.00 52.15 H new ATOM 0 HG22 VAL A 105 10.477 -1.871 1.150 1.00 52.15 H new ATOM 0 HG23 VAL A 105 10.756 -0.204 1.705 1.00 52.15 H new ATOM 840 N GLU A 106 8.835 0.632 4.596 1.00 63.01 N ATOM 841 CA GLU A 106 8.714 1.525 5.733 1.00 53.25 C ATOM 842 C GLU A 106 7.353 1.342 6.399 1.00 65.41 C ATOM 843 O GLU A 106 7.228 1.351 7.620 1.00 25.10 O ATOM 844 CB GLU A 106 8.839 2.982 5.267 1.00 1.11 C ATOM 845 CG GLU A 106 10.014 3.264 4.327 1.00 30.43 C ATOM 846 CD GLU A 106 11.382 3.098 4.957 1.00 3.43 C ATOM 847 OE1 GLU A 106 11.535 2.291 5.913 1.00 61.20 O ATOM 848 OE2 GLU A 106 12.335 3.734 4.456 1.00 22.23 O ATOM 0 H GLU A 106 9.001 1.119 3.715 1.00 63.01 H new ATOM 0 HA GLU A 106 9.507 1.292 6.443 1.00 53.25 H new ATOM 0 HB2 GLU A 106 7.915 3.267 4.764 1.00 1.11 H new ATOM 0 HB3 GLU A 106 8.934 3.621 6.145 1.00 1.11 H new ATOM 0 HG2 GLU A 106 9.942 2.598 3.467 1.00 30.43 H new ATOM 0 HG3 GLU A 106 9.924 4.283 3.950 1.00 30.43 H new ATOM 855 N CYS A 107 6.347 1.169 5.577 1.00 55.43 N ATOM 856 CA CYS A 107 4.973 1.009 6.078 1.00 71.51 C ATOM 857 C CYS A 107 4.515 -0.454 5.984 1.00 51.15 C ATOM 858 O CYS A 107 3.485 -0.824 6.522 1.00 52.40 O ATOM 859 CB CYS A 107 4.048 1.862 5.227 1.00 63.02 C ATOM 860 SG CYS A 107 4.693 3.548 4.897 1.00 55.22 S ATOM 0 H CYS A 107 6.436 1.133 4.562 1.00 55.43 H new ATOM 0 HA CYS A 107 4.944 1.316 7.124 1.00 71.51 H new ATOM 0 HB2 CYS A 107 3.874 1.357 4.277 1.00 63.02 H new ATOM 0 HB3 CYS A 107 3.082 1.943 5.726 1.00 63.02 H new ATOM 0 HG CYS A 107 4.898 3.692 3.621 1.00 55.22 H new ATOM 865 N ASN A 108 5.307 -1.246 5.279 1.00 74.34 N ATOM 866 CA ASN A 108 5.007 -2.645 4.938 1.00 22.43 C ATOM 867 C ASN A 108 3.641 -2.770 4.248 1.00 24.44 C ATOM 868 O ASN A 108 2.894 -3.709 4.492 1.00 14.13 O ATOM 869 CB ASN A 108 5.106 -3.568 6.155 1.00 61.31 C ATOM 870 CG ASN A 108 6.153 -4.616 6.022 1.00 62.13 C ATOM 871 OD1 ASN A 108 7.160 -4.310 5.350 1.00 3.34 O flip ATOM 872 ND2 ASN A 108 6.023 -5.724 6.527 1.00 71.53 N flip ATOM 0 H ASN A 108 6.206 -0.932 4.913 1.00 74.34 H new ATOM 0 HA ASN A 108 5.768 -2.972 4.230 1.00 22.43 H new ATOM 0 HB2 ASN A 108 5.315 -2.967 7.040 1.00 61.31 H new ATOM 0 HB3 ASN A 108 4.141 -4.048 6.316 1.00 61.31 H new ATOM 0 HD21 ASN A 108 5.188 -5.942 7.070 1.00 71.53 H new ATOM 0 HD22 ASN A 108 6.750 -6.429 6.404 1.00 71.53 H new ATOM 879 N PHE A 109 3.402 -1.901 3.270 1.00 52.34 N ATOM 880 CA PHE A 109 2.095 -1.826 2.639 1.00 60.00 C ATOM 881 C PHE A 109 2.235 -2.078 1.147 1.00 15.43 C ATOM 882 O PHE A 109 3.040 -1.415 0.463 1.00 3.34 O ATOM 883 CB PHE A 109 1.369 -0.470 2.946 1.00 53.44 C ATOM 884 CG PHE A 109 1.317 0.555 1.812 1.00 71.40 C ATOM 885 CD1 PHE A 109 0.293 0.517 0.881 1.00 41.30 C ATOM 886 CD2 PHE A 109 2.273 1.543 1.690 1.00 72.33 C ATOM 887 CE1 PHE A 109 0.229 1.440 -0.145 1.00 12.24 C ATOM 888 CE2 PHE A 109 2.208 2.469 0.655 1.00 73.12 C ATOM 889 CZ PHE A 109 1.186 2.415 -0.255 1.00 75.54 C ATOM 0 H PHE A 109 4.092 -1.246 2.902 1.00 52.34 H new ATOM 0 HA PHE A 109 1.460 -2.604 3.062 1.00 60.00 H new ATOM 0 HB2 PHE A 109 0.346 -0.693 3.250 1.00 53.44 H new ATOM 0 HB3 PHE A 109 1.862 -0.007 3.801 1.00 53.44 H new ATOM 0 HD1 PHE A 109 -0.468 -0.246 0.958 1.00 41.30 H new ATOM 0 HD2 PHE A 109 3.080 1.597 2.406 1.00 72.33 H new ATOM 0 HE1 PHE A 109 -0.577 1.393 -0.862 1.00 12.24 H new ATOM 0 HE2 PHE A 109 2.966 3.233 0.568 1.00 73.12 H new ATOM 0 HZ PHE A 109 1.134 3.138 -1.056 1.00 75.54 H new ATOM 899 N LEU A 110 1.513 -3.048 0.668 1.00 51.40 N ATOM 900 CA LEU A 110 1.542 -3.435 -0.722 1.00 72.01 C ATOM 901 C LEU A 110 0.424 -2.780 -1.442 1.00 61.21 C ATOM 902 O LEU A 110 -0.695 -2.846 -0.992 1.00 21.11 O ATOM 903 CB LEU A 110 1.374 -4.934 -0.861 1.00 24.10 C ATOM 904 CG LEU A 110 2.620 -5.788 -0.917 1.00 4.35 C ATOM 905 CD1 LEU A 110 2.205 -7.217 -0.747 1.00 21.11 C ATOM 906 CD2 LEU A 110 3.286 -5.623 -2.277 1.00 50.11 C ATOM 0 H LEU A 110 0.875 -3.605 1.237 1.00 51.40 H new ATOM 0 HA LEU A 110 2.502 -3.132 -1.140 1.00 72.01 H new ATOM 0 HB2 LEU A 110 0.769 -5.281 -0.023 1.00 24.10 H new ATOM 0 HB3 LEU A 110 0.800 -5.122 -1.768 1.00 24.10 H new ATOM 0 HG LEU A 110 3.320 -5.492 -0.135 1.00 4.35 H new ATOM 0 HD11 LEU A 110 3.086 -7.858 -0.783 1.00 21.11 H new ATOM 0 HD12 LEU A 110 1.706 -7.339 0.215 1.00 21.11 H new ATOM 0 HD13 LEU A 110 1.521 -7.495 -1.548 1.00 21.11 H new ATOM 0 HD21 LEU A 110 4.185 -6.238 -2.319 1.00 50.11 H new ATOM 0 HD22 LEU A 110 2.596 -5.935 -3.061 1.00 50.11 H new ATOM 0 HD23 LEU A 110 3.555 -4.577 -2.426 1.00 50.11 H new ATOM 918 N THR A 111 0.715 -2.232 -2.570 1.00 10.34 N ATOM 919 CA THR A 111 -0.254 -1.513 -3.352 1.00 60.12 C ATOM 920 C THR A 111 -0.360 -2.125 -4.749 1.00 13.14 C ATOM 921 O THR A 111 0.524 -2.899 -5.172 1.00 72.32 O ATOM 922 CB THR A 111 0.101 0.008 -3.378 1.00 33.05 C ATOM 923 OG1 THR A 111 -0.608 0.730 -4.398 1.00 21.14 O ATOM 924 CG2 THR A 111 1.598 0.233 -3.489 1.00 71.43 C ATOM 0 H THR A 111 1.644 -2.266 -2.990 1.00 10.34 H new ATOM 0 HA THR A 111 -1.239 -1.600 -2.894 1.00 60.12 H new ATOM 0 HB THR A 111 -0.231 0.411 -2.421 1.00 33.05 H new ATOM 0 HG1 THR A 111 -1.573 0.625 -4.262 1.00 21.14 H new ATOM 0 HG21 THR A 111 1.805 1.303 -3.504 1.00 71.43 H new ATOM 0 HG22 THR A 111 2.099 -0.221 -2.634 1.00 71.43 H new ATOM 0 HG23 THR A 111 1.967 -0.221 -4.409 1.00 71.43 H new ATOM 932 N LYS A 112 -1.451 -1.824 -5.447 1.00 52.15 N ATOM 933 CA LYS A 112 -1.707 -2.382 -6.771 1.00 2.31 C ATOM 934 C LYS A 112 -1.093 -1.506 -7.840 1.00 20.21 C ATOM 935 O LYS A 112 -1.167 -1.817 -9.042 1.00 23.10 O ATOM 936 CB LYS A 112 -3.215 -2.482 -7.033 1.00 63.51 C ATOM 937 CG LYS A 112 -3.992 -3.194 -5.945 1.00 13.52 C ATOM 938 CD LYS A 112 -5.456 -3.369 -6.306 1.00 24.14 C ATOM 939 CE LYS A 112 -5.653 -4.359 -7.432 1.00 73.23 C ATOM 940 NZ LYS A 112 -5.414 -5.761 -7.026 1.00 34.20 N ATOM 0 H LYS A 112 -2.178 -1.191 -5.114 1.00 52.15 H new ATOM 0 HA LYS A 112 -1.261 -3.376 -6.804 1.00 2.31 H new ATOM 0 HB2 LYS A 112 -3.618 -1.476 -7.152 1.00 63.51 H new ATOM 0 HB3 LYS A 112 -3.374 -3.003 -7.977 1.00 63.51 H new ATOM 0 HG2 LYS A 112 -3.545 -4.171 -5.762 1.00 13.52 H new ATOM 0 HG3 LYS A 112 -3.914 -2.629 -5.016 1.00 13.52 H new ATOM 0 HD2 LYS A 112 -6.007 -3.706 -5.428 1.00 24.14 H new ATOM 0 HD3 LYS A 112 -5.875 -2.405 -6.595 1.00 24.14 H new ATOM 0 HE2 LYS A 112 -6.670 -4.267 -7.814 1.00 73.23 H new ATOM 0 HE3 LYS A 112 -4.980 -4.105 -8.251 1.00 73.23 H new ATOM 0 HZ1 LYS A 112 -4.741 -6.203 -7.684 1.00 34.20 H new ATOM 0 HZ2 LYS A 112 -5.021 -5.781 -6.063 1.00 34.20 H new ATOM 0 HZ3 LYS A 112 -6.312 -6.286 -7.045 1.00 34.20 H new ATOM 954 N ARG A 113 -0.495 -0.427 -7.419 1.00 15.04 N ATOM 955 CA ARG A 113 0.050 0.519 -8.332 1.00 24.33 C ATOM 956 C ARG A 113 1.454 0.900 -7.888 1.00 14.11 C ATOM 957 O ARG A 113 1.717 1.026 -6.699 1.00 4.55 O ATOM 958 CB ARG A 113 -0.878 1.748 -8.393 1.00 10.01 C ATOM 959 CG ARG A 113 -0.931 2.571 -7.114 1.00 21.01 C ATOM 960 CD ARG A 113 -2.101 3.529 -7.100 1.00 51.31 C ATOM 961 NE ARG A 113 -3.360 2.838 -6.803 1.00 23.35 N ATOM 962 CZ ARG A 113 -4.426 2.728 -7.593 1.00 72.04 C ATOM 963 NH1 ARG A 113 -4.422 3.207 -8.835 1.00 15.44 N ATOM 964 NH2 ARG A 113 -5.483 2.104 -7.134 1.00 4.13 N ATOM 0 H ARG A 113 -0.375 -0.185 -6.435 1.00 15.04 H new ATOM 0 HA ARG A 113 0.119 0.090 -9.332 1.00 24.33 H new ATOM 0 HB2 ARG A 113 -0.552 2.392 -9.210 1.00 10.01 H new ATOM 0 HB3 ARG A 113 -1.887 1.413 -8.635 1.00 10.01 H new ATOM 0 HG2 ARG A 113 -1.001 1.902 -6.256 1.00 21.01 H new ATOM 0 HG3 ARG A 113 -0.003 3.132 -7.006 1.00 21.01 H new ATOM 0 HD2 ARG A 113 -1.927 4.306 -6.356 1.00 51.31 H new ATOM 0 HD3 ARG A 113 -2.177 4.026 -8.067 1.00 51.31 H new ATOM 0 HE ARG A 113 -3.426 2.391 -5.888 1.00 23.35 H new ATOM 0 HH11 ARG A 113 -3.590 3.670 -9.200 1.00 15.44 H new ATOM 0 HH12 ARG A 113 -5.251 3.111 -9.421 1.00 15.44 H new ATOM 0 HH21 ARG A 113 -5.477 1.716 -6.191 1.00 4.13 H new ATOM 0 HH22 ARG A 113 -6.312 2.007 -7.720 1.00 4.13 H new ATOM 978 N TYR A 114 2.351 1.078 -8.831 1.00 21.11 N ATOM 979 CA TYR A 114 3.721 1.456 -8.509 1.00 73.15 C ATOM 980 C TYR A 114 3.756 2.929 -8.108 1.00 1.00 C ATOM 981 O TYR A 114 4.647 3.391 -7.391 1.00 31.31 O ATOM 982 CB TYR A 114 4.654 1.199 -9.704 1.00 11.21 C ATOM 983 CG TYR A 114 4.643 -0.240 -10.203 1.00 41.53 C ATOM 984 CD1 TYR A 114 5.113 -1.272 -9.414 1.00 45.34 C ATOM 985 CD2 TYR A 114 4.158 -0.557 -11.466 1.00 4.51 C ATOM 986 CE1 TYR A 114 5.105 -2.580 -9.864 1.00 34.14 C ATOM 987 CE2 TYR A 114 4.146 -1.859 -11.923 1.00 63.34 C ATOM 988 CZ TYR A 114 4.620 -2.867 -11.117 1.00 14.21 C ATOM 989 OH TYR A 114 4.617 -4.168 -11.573 1.00 62.51 O ATOM 0 H TYR A 114 2.164 0.969 -9.828 1.00 21.11 H new ATOM 0 HA TYR A 114 4.073 0.847 -7.676 1.00 73.15 H new ATOM 0 HB2 TYR A 114 4.368 1.859 -10.523 1.00 11.21 H new ATOM 0 HB3 TYR A 114 5.672 1.466 -9.421 1.00 11.21 H new ATOM 0 HD1 TYR A 114 5.494 -1.053 -8.427 1.00 45.34 H new ATOM 0 HD2 TYR A 114 3.783 0.231 -12.102 1.00 4.51 H new ATOM 0 HE1 TYR A 114 5.479 -3.373 -9.233 1.00 34.14 H new ATOM 0 HE2 TYR A 114 3.766 -2.085 -12.908 1.00 63.34 H new ATOM 0 HH TYR A 114 4.240 -4.197 -12.477 1.00 62.51 H new ATOM 999 N ASP A 115 2.735 3.628 -8.547 1.00 53.53 N ATOM 1000 CA ASP A 115 2.530 5.057 -8.310 1.00 40.22 C ATOM 1001 C ASP A 115 2.493 5.371 -6.845 1.00 41.10 C ATOM 1002 O ASP A 115 3.104 6.317 -6.412 1.00 3.44 O ATOM 1003 CB ASP A 115 1.197 5.511 -8.926 1.00 3.31 C ATOM 1004 CG ASP A 115 1.019 5.119 -10.370 1.00 71.20 C ATOM 1005 OD1 ASP A 115 0.829 3.906 -10.655 1.00 54.52 O ATOM 1006 OD2 ASP A 115 1.024 6.002 -11.243 1.00 33.23 O ATOM 0 H ASP A 115 1.989 3.209 -9.102 1.00 53.53 H new ATOM 0 HA ASP A 115 3.366 5.582 -8.771 1.00 40.22 H new ATOM 0 HB2 ASP A 115 0.378 5.090 -8.343 1.00 3.31 H new ATOM 0 HB3 ASP A 115 1.122 6.595 -8.844 1.00 3.31 H new ATOM 1011 N ALA A 116 1.840 4.530 -6.074 1.00 33.44 N ATOM 1012 CA ALA A 116 1.593 4.803 -4.664 1.00 14.01 C ATOM 1013 C ALA A 116 2.879 4.869 -3.861 1.00 0.21 C ATOM 1014 O ALA A 116 2.920 5.472 -2.799 1.00 61.31 O ATOM 1015 CB ALA A 116 0.658 3.771 -4.097 1.00 42.21 C ATOM 0 H ALA A 116 1.464 3.639 -6.399 1.00 33.44 H new ATOM 0 HA ALA A 116 1.126 5.785 -4.591 1.00 14.01 H new ATOM 0 HB1 ALA A 116 0.479 3.982 -3.043 1.00 42.21 H new ATOM 0 HB2 ALA A 116 -0.287 3.800 -4.639 1.00 42.21 H new ATOM 0 HB3 ALA A 116 1.104 2.782 -4.198 1.00 42.21 H new ATOM 1021 N LEU A 117 3.909 4.241 -4.370 1.00 12.33 N ATOM 1022 CA LEU A 117 5.217 4.260 -3.733 1.00 11.42 C ATOM 1023 C LEU A 117 5.962 5.517 -4.123 1.00 51.25 C ATOM 1024 O LEU A 117 6.739 6.055 -3.354 1.00 42.15 O ATOM 1025 CB LEU A 117 6.066 3.070 -4.140 1.00 74.54 C ATOM 1026 CG LEU A 117 5.504 1.677 -3.882 1.00 52.21 C ATOM 1027 CD1 LEU A 117 4.949 1.546 -2.472 1.00 45.43 C ATOM 1028 CD2 LEU A 117 4.486 1.305 -4.926 1.00 64.42 C ATOM 0 H LEU A 117 3.873 3.701 -5.235 1.00 12.33 H new ATOM 0 HA LEU A 117 5.046 4.222 -2.657 1.00 11.42 H new ATOM 0 HB2 LEU A 117 6.274 3.155 -5.207 1.00 74.54 H new ATOM 0 HB3 LEU A 117 7.022 3.147 -3.622 1.00 74.54 H new ATOM 0 HG LEU A 117 6.327 0.967 -3.960 1.00 52.21 H new ATOM 0 HD11 LEU A 117 4.558 0.539 -2.327 1.00 45.43 H new ATOM 0 HD12 LEU A 117 5.743 1.734 -1.749 1.00 45.43 H new ATOM 0 HD13 LEU A 117 4.148 2.271 -2.328 1.00 45.43 H new ATOM 0 HD21 LEU A 117 4.101 0.307 -4.719 1.00 64.42 H new ATOM 0 HD22 LEU A 117 3.665 2.022 -4.906 1.00 64.42 H new ATOM 0 HD23 LEU A 117 4.954 1.316 -5.911 1.00 64.42 H new ATOM 1040 N SER A 118 5.712 5.969 -5.322 1.00 42.13 N ATOM 1041 CA SER A 118 6.349 7.153 -5.855 1.00 33.31 C ATOM 1042 C SER A 118 5.793 8.391 -5.195 1.00 41.13 C ATOM 1043 O SER A 118 6.525 9.292 -4.815 1.00 21.11 O ATOM 1044 CB SER A 118 6.075 7.212 -7.335 1.00 74.41 C ATOM 1045 OG SER A 118 6.868 6.299 -8.077 1.00 74.43 O ATOM 0 H SER A 118 5.056 5.526 -5.965 1.00 42.13 H new ATOM 0 HA SER A 118 7.421 7.109 -5.664 1.00 33.31 H new ATOM 0 HB2 SER A 118 5.021 6.999 -7.514 1.00 74.41 H new ATOM 0 HB3 SER A 118 6.261 8.224 -7.695 1.00 74.41 H new ATOM 0 HG SER A 118 6.651 6.376 -9.029 1.00 74.43 H new ATOM 1051 N GLU A 119 4.498 8.441 -5.089 1.00 54.12 N ATOM 1052 CA GLU A 119 3.851 9.554 -4.444 1.00 45.23 C ATOM 1053 C GLU A 119 4.031 9.449 -2.942 1.00 1.14 C ATOM 1054 O GLU A 119 3.849 10.400 -2.234 1.00 11.44 O ATOM 1055 CB GLU A 119 2.378 9.629 -4.760 1.00 54.32 C ATOM 1056 CG GLU A 119 1.984 9.001 -6.067 1.00 73.35 C ATOM 1057 CD GLU A 119 0.554 9.292 -6.450 1.00 14.34 C ATOM 1058 OE1 GLU A 119 -0.350 9.060 -5.637 1.00 25.54 O ATOM 1059 OE2 GLU A 119 0.298 9.765 -7.571 1.00 44.43 O ATOM 0 H GLU A 119 3.864 7.724 -5.441 1.00 54.12 H new ATOM 0 HA GLU A 119 4.319 10.462 -4.825 1.00 45.23 H new ATOM 0 HB2 GLU A 119 1.823 9.144 -3.957 1.00 54.32 H new ATOM 0 HB3 GLU A 119 2.075 10.676 -4.769 1.00 54.32 H new ATOM 0 HG2 GLU A 119 2.646 9.364 -6.853 1.00 73.35 H new ATOM 0 HG3 GLU A 119 2.126 7.922 -6.003 1.00 73.35 H new ATOM 1066 N HIS A 120 4.327 8.266 -2.481 1.00 4.34 N ATOM 1067 CA HIS A 120 4.457 7.974 -1.057 1.00 64.54 C ATOM 1068 C HIS A 120 5.349 8.990 -0.324 1.00 74.03 C ATOM 1069 O HIS A 120 4.900 9.654 0.521 1.00 31.12 O ATOM 1070 CB HIS A 120 4.982 6.584 -0.864 1.00 11.44 C ATOM 1071 CG HIS A 120 4.682 6.015 0.449 1.00 44.14 C ATOM 1072 ND1 HIS A 120 3.451 5.531 0.814 1.00 13.10 N ATOM 1073 CD2 HIS A 120 5.466 5.865 1.489 1.00 71.42 C ATOM 1074 CE1 HIS A 120 3.523 5.107 2.063 1.00 2.12 C ATOM 1075 NE2 HIS A 120 4.755 5.281 2.543 1.00 52.24 N ATOM 0 H HIS A 120 4.489 7.458 -3.082 1.00 4.34 H new ATOM 0 HA HIS A 120 3.462 8.053 -0.619 1.00 64.54 H new ATOM 0 HB2 HIS A 120 4.562 5.937 -1.634 1.00 11.44 H new ATOM 0 HB3 HIS A 120 6.062 6.591 -1.008 1.00 11.44 H new ATOM 0 HD2 HIS A 120 6.507 6.150 1.527 1.00 71.42 H new ATOM 0 HE1 HIS A 120 2.700 4.680 2.617 1.00 2.12 H new ATOM 0 HE2 HIS A 120 5.102 5.042 3.472 1.00 52.24 H new ATOM 1083 N ASN A 121 6.571 9.115 -0.698 1.00 23.43 N ATOM 1084 CA ASN A 121 7.508 10.113 -0.101 1.00 53.15 C ATOM 1085 C ASN A 121 7.102 11.557 -0.428 1.00 33.01 C ATOM 1086 O ASN A 121 7.588 12.517 0.148 1.00 61.01 O ATOM 1087 CB ASN A 121 8.956 9.803 -0.470 1.00 30.12 C ATOM 1088 CG ASN A 121 9.221 9.691 -1.942 1.00 54.44 C ATOM 1089 OD1 ASN A 121 8.351 9.406 -2.733 1.00 51.12 O ATOM 1090 ND2 ASN A 121 10.435 9.809 -2.295 1.00 11.35 N ATOM 0 H ASN A 121 6.993 8.543 -1.430 1.00 23.43 H new ATOM 0 HA ASN A 121 7.436 10.025 0.983 1.00 53.15 H new ATOM 0 HB2 ASN A 121 9.596 10.584 -0.059 1.00 30.12 H new ATOM 0 HB3 ASN A 121 9.246 8.868 0.009 1.00 30.12 H new ATOM 0 HD21 ASN A 121 10.699 9.662 -3.269 1.00 11.35 H new ATOM 0 HD22 ASN A 121 11.146 10.050 -1.604 1.00 11.35 H new ATOM 1097 N LEU A 122 6.264 11.692 -1.393 1.00 41.11 N ATOM 1098 CA LEU A 122 5.744 12.971 -1.796 1.00 74.42 C ATOM 1099 C LEU A 122 4.606 13.434 -0.834 1.00 72.20 C ATOM 1100 O LEU A 122 4.568 14.591 -0.400 1.00 4.34 O ATOM 1101 CB LEU A 122 5.269 12.842 -3.260 1.00 52.42 C ATOM 1102 CG LEU A 122 4.187 13.790 -3.757 1.00 2.22 C ATOM 1103 CD1 LEU A 122 4.651 15.241 -3.696 1.00 71.53 C ATOM 1104 CD2 LEU A 122 3.791 13.430 -5.177 1.00 3.50 C ATOM 0 H LEU A 122 5.908 10.909 -1.941 1.00 41.11 H new ATOM 0 HA LEU A 122 6.513 13.741 -1.738 1.00 74.42 H new ATOM 0 HB2 LEU A 122 6.140 12.966 -3.904 1.00 52.42 H new ATOM 0 HB3 LEU A 122 4.909 11.823 -3.404 1.00 52.42 H new ATOM 0 HG LEU A 122 3.321 13.685 -3.104 1.00 2.22 H new ATOM 0 HD11 LEU A 122 3.856 15.893 -4.058 1.00 71.53 H new ATOM 0 HD12 LEU A 122 4.894 15.502 -2.666 1.00 71.53 H new ATOM 0 HD13 LEU A 122 5.535 15.367 -4.321 1.00 71.53 H new ATOM 0 HD21 LEU A 122 3.016 14.114 -5.523 1.00 3.50 H new ATOM 0 HD22 LEU A 122 4.662 13.508 -5.828 1.00 3.50 H new ATOM 0 HD23 LEU A 122 3.410 12.409 -5.201 1.00 3.50 H new ATOM 1116 N LYS A 123 3.668 12.552 -0.557 1.00 43.35 N ATOM 1117 CA LYS A 123 2.525 12.874 0.298 1.00 62.24 C ATOM 1118 C LYS A 123 2.582 12.215 1.679 1.00 4.32 C ATOM 1119 O LYS A 123 2.304 12.844 2.702 1.00 24.51 O ATOM 1120 CB LYS A 123 1.177 12.628 -0.441 1.00 3.34 C ATOM 1121 CG LYS A 123 1.267 11.652 -1.613 1.00 25.12 C ATOM 1122 CD LYS A 123 0.044 11.668 -2.528 1.00 30.21 C ATOM 1123 CE LYS A 123 -1.253 11.310 -1.817 1.00 64.11 C ATOM 1124 NZ LYS A 123 -2.399 11.239 -2.748 1.00 51.21 N ATOM 0 H LYS A 123 3.668 11.596 -0.911 1.00 43.35 H new ATOM 0 HA LYS A 123 2.588 13.942 0.506 1.00 62.24 H new ATOM 0 HB2 LYS A 123 0.448 12.250 0.276 1.00 3.34 H new ATOM 0 HB3 LYS A 123 0.798 13.582 -0.807 1.00 3.34 H new ATOM 0 HG2 LYS A 123 2.153 11.889 -2.203 1.00 25.12 H new ATOM 0 HG3 LYS A 123 1.404 10.643 -1.223 1.00 25.12 H new ATOM 0 HD2 LYS A 123 -0.056 12.659 -2.970 1.00 30.21 H new ATOM 0 HD3 LYS A 123 0.205 10.968 -3.348 1.00 30.21 H new ATOM 0 HE2 LYS A 123 -1.136 10.350 -1.313 1.00 64.11 H new ATOM 0 HE3 LYS A 123 -1.459 12.052 -1.046 1.00 64.11 H new ATOM 0 HZ1 LYS A 123 -3.188 10.739 -2.290 1.00 51.21 H new ATOM 0 HZ2 LYS A 123 -2.700 12.202 -3.002 1.00 51.21 H new ATOM 0 HZ3 LYS A 123 -2.117 10.726 -3.608 1.00 51.21 H new ATOM 1138 N TYR A 124 2.971 10.980 1.686 1.00 51.33 N ATOM 1139 CA TYR A 124 2.995 10.123 2.889 1.00 72.33 C ATOM 1140 C TYR A 124 4.259 10.331 3.711 1.00 11.42 C ATOM 1141 O TYR A 124 4.174 10.587 4.907 1.00 34.11 O ATOM 1142 CB TYR A 124 2.906 8.650 2.497 1.00 1.43 C ATOM 1143 CG TYR A 124 1.629 8.243 1.820 1.00 5.21 C ATOM 1144 CD1 TYR A 124 1.239 8.806 0.615 1.00 21.21 C ATOM 1145 CD2 TYR A 124 0.820 7.278 2.375 1.00 73.40 C ATOM 1146 CE1 TYR A 124 0.084 8.436 0.009 1.00 53.41 C ATOM 1147 CE2 TYR A 124 -0.335 6.901 1.759 1.00 52.23 C ATOM 1148 CZ TYR A 124 -0.699 7.486 0.582 1.00 62.14 C ATOM 1149 OH TYR A 124 -1.870 7.140 -0.002 1.00 22.24 O ATOM 0 H TYR A 124 3.295 10.501 0.846 1.00 51.33 H new ATOM 0 HA TYR A 124 2.134 10.406 3.494 1.00 72.33 H new ATOM 0 HB2 TYR A 124 3.740 8.416 1.835 1.00 1.43 H new ATOM 0 HB3 TYR A 124 3.032 8.044 3.394 1.00 1.43 H new ATOM 0 HD1 TYR A 124 1.866 9.553 0.151 1.00 21.21 H new ATOM 0 HD2 TYR A 124 1.104 6.815 3.308 1.00 73.40 H new ATOM 0 HE1 TYR A 124 -0.211 8.894 -0.923 1.00 53.41 H new ATOM 0 HE2 TYR A 124 -0.961 6.140 2.202 1.00 52.23 H new ATOM 0 HH TYR A 124 -2.114 7.814 -0.670 1.00 22.24 H new ATOM 1159 N HIS A 125 5.429 10.190 3.081 1.00 63.12 N ATOM 1160 CA HIS A 125 6.714 10.420 3.786 1.00 44.54 C ATOM 1161 C HIS A 125 7.463 11.631 3.197 1.00 42.55 C ATOM 1162 O HIS A 125 8.437 11.450 2.514 1.00 1.13 O ATOM 1163 CB HIS A 125 7.650 9.184 3.704 1.00 1.15 C ATOM 1164 CG HIS A 125 7.160 7.910 4.341 1.00 2.12 C ATOM 1165 ND1 HIS A 125 6.497 7.827 5.544 1.00 71.22 N ATOM 1166 CD2 HIS A 125 7.233 6.653 3.869 1.00 73.44 C ATOM 1167 CE1 HIS A 125 6.182 6.547 5.763 1.00 53.33 C ATOM 1168 NE2 HIS A 125 6.612 5.760 4.739 1.00 0.44 N ATOM 0 H HIS A 125 5.524 9.923 2.101 1.00 63.12 H new ATOM 0 HA HIS A 125 6.459 10.609 4.829 1.00 44.54 H new ATOM 0 HB2 HIS A 125 7.851 8.981 2.652 1.00 1.15 H new ATOM 0 HB3 HIS A 125 8.602 9.449 4.165 1.00 1.15 H new ATOM 0 HD2 HIS A 125 7.709 6.374 2.941 1.00 73.44 H new ATOM 0 HE1 HIS A 125 5.657 6.186 6.635 1.00 53.33 H new ATOM 0 HE2 HIS A 125 6.504 4.751 4.633 1.00 0.44 H new ATOM 1176 N PRO A 126 6.990 12.858 3.429 1.00 43.14 N ATOM 1177 CA PRO A 126 7.582 14.079 2.838 1.00 44.21 C ATOM 1178 C PRO A 126 8.922 14.525 3.458 1.00 41.32 C ATOM 1179 O PRO A 126 9.190 14.320 4.659 1.00 15.53 O ATOM 1180 CB PRO A 126 6.512 15.123 3.104 1.00 25.22 C ATOM 1181 CG PRO A 126 5.874 14.654 4.363 1.00 21.31 C ATOM 1182 CD PRO A 126 5.837 13.174 4.254 1.00 61.32 C ATOM 0 HA PRO A 126 7.835 13.916 1.790 1.00 44.21 H new ATOM 0 HB2 PRO A 126 6.942 16.118 3.218 1.00 25.22 H new ATOM 0 HB3 PRO A 126 5.793 15.178 2.286 1.00 25.22 H new ATOM 0 HG2 PRO A 126 6.446 14.970 5.235 1.00 21.31 H new ATOM 0 HG3 PRO A 126 4.871 15.066 4.473 1.00 21.31 H new ATOM 0 HD2 PRO A 126 5.903 12.699 5.233 1.00 61.32 H new ATOM 0 HD3 PRO A 126 4.910 12.830 3.795 1.00 61.32 H new ATOM 1190 N GLY A 127 9.748 15.154 2.631 1.00 74.34 N ATOM 1191 CA GLY A 127 11.031 15.664 3.069 1.00 30.01 C ATOM 1192 C GLY A 127 12.063 15.647 1.958 1.00 25.41 C ATOM 1193 O GLY A 127 12.902 16.555 1.851 1.00 72.20 O ATOM 0 H GLY A 127 9.545 15.322 1.646 1.00 74.34 H new ATOM 0 HA2 GLY A 127 10.909 16.684 3.434 1.00 30.01 H new ATOM 0 HA3 GLY A 127 11.391 15.066 3.906 1.00 30.01 H new ATOM 1197 N GLU A 128 11.998 14.627 1.132 1.00 62.20 N ATOM 1198 CA GLU A 128 12.915 14.429 0.025 1.00 60.32 C ATOM 1199 C GLU A 128 12.304 13.403 -0.889 1.00 73.35 C ATOM 1200 O GLU A 128 11.238 12.861 -0.569 1.00 1.32 O ATOM 1201 CB GLU A 128 14.301 13.985 0.552 1.00 21.43 C ATOM 1202 CG GLU A 128 14.294 12.716 1.391 1.00 32.01 C ATOM 1203 CD GLU A 128 14.756 11.502 0.639 1.00 62.22 C ATOM 1204 OE1 GLU A 128 13.944 10.834 0.011 1.00 41.04 O ATOM 1205 OE2 GLU A 128 15.969 11.227 0.653 1.00 75.50 O ATOM 0 H GLU A 128 11.292 13.895 1.210 1.00 62.20 H new ATOM 0 HA GLU A 128 13.074 15.356 -0.527 1.00 60.32 H new ATOM 0 HB2 GLU A 128 14.966 13.836 -0.299 1.00 21.43 H new ATOM 0 HB3 GLU A 128 14.723 14.794 1.148 1.00 21.43 H new ATOM 0 HG2 GLU A 128 14.934 12.861 2.261 1.00 32.01 H new ATOM 0 HG3 GLU A 128 13.285 12.541 1.764 1.00 32.01 H new ATOM 1212 N GLU A 129 12.906 13.143 -2.015 1.00 73.42 N ATOM 1213 CA GLU A 129 12.352 12.140 -2.882 1.00 45.14 C ATOM 1214 C GLU A 129 13.447 11.222 -3.365 1.00 11.33 C ATOM 1215 O GLU A 129 14.094 11.488 -4.389 1.00 21.42 O ATOM 1216 CB GLU A 129 11.661 12.793 -4.069 1.00 13.40 C ATOM 1217 CG GLU A 129 10.895 11.825 -4.955 1.00 12.04 C ATOM 1218 CD GLU A 129 10.231 12.497 -6.125 1.00 72.23 C ATOM 1219 OE1 GLU A 129 9.247 13.258 -5.928 1.00 64.11 O ATOM 1220 OE2 GLU A 129 10.654 12.276 -7.274 1.00 63.12 O ATOM 0 H GLU A 129 13.757 13.596 -2.349 1.00 73.42 H new ATOM 0 HA GLU A 129 11.616 11.559 -2.325 1.00 45.14 H new ATOM 0 HB2 GLU A 129 10.972 13.553 -3.701 1.00 13.40 H new ATOM 0 HB3 GLU A 129 12.409 13.306 -4.673 1.00 13.40 H new ATOM 0 HG2 GLU A 129 11.578 11.060 -5.323 1.00 12.04 H new ATOM 0 HG3 GLU A 129 10.138 11.316 -4.358 1.00 12.04 H new ATOM 1227 N ASN A 130 13.666 10.149 -2.626 1.00 34.32 N ATOM 1228 CA ASN A 130 14.698 9.169 -2.934 1.00 34.15 C ATOM 1229 C ASN A 130 14.305 7.817 -2.384 1.00 63.43 C ATOM 1230 O ASN A 130 14.532 7.513 -1.210 1.00 13.42 O ATOM 1231 CB ASN A 130 16.039 9.584 -2.290 1.00 0.52 C ATOM 1232 CG ASN A 130 16.550 10.913 -2.794 1.00 12.34 C ATOM 1233 OD1 ASN A 130 16.140 11.970 -2.134 1.00 73.24 O flip ATOM 1234 ND2 ASN A 130 17.309 10.987 -3.765 1.00 51.22 N flip ATOM 0 H ASN A 130 13.129 9.929 -1.787 1.00 34.32 H new ATOM 0 HA ASN A 130 14.808 9.117 -4.017 1.00 34.15 H new ATOM 0 HB2 ASN A 130 15.916 9.635 -1.208 1.00 0.52 H new ATOM 0 HB3 ASN A 130 16.785 8.815 -2.490 1.00 0.52 H new ATOM 0 HD21 ASN A 130 17.602 10.138 -4.249 1.00 51.22 H new ATOM 0 HD22 ASN A 130 17.643 11.897 -4.083 1.00 51.22 H new ATOM 1241 N PHE A 131 13.696 7.031 -3.203 1.00 25.33 N ATOM 1242 CA PHE A 131 13.313 5.690 -2.836 1.00 13.43 C ATOM 1243 C PHE A 131 14.250 4.675 -3.483 1.00 75.45 C ATOM 1244 O PHE A 131 14.755 4.894 -4.595 1.00 44.20 O ATOM 1245 CB PHE A 131 11.877 5.407 -3.248 1.00 52.20 C ATOM 1246 CG PHE A 131 10.853 5.419 -2.135 1.00 51.35 C ATOM 1247 CD1 PHE A 131 10.800 4.382 -1.228 1.00 53.11 C ATOM 1248 CD2 PHE A 131 9.915 6.419 -2.039 1.00 20.31 C ATOM 1249 CE1 PHE A 131 9.830 4.343 -0.251 1.00 64.34 C ATOM 1250 CE2 PHE A 131 8.932 6.378 -1.060 1.00 41.44 C ATOM 1251 CZ PHE A 131 8.892 5.338 -0.172 1.00 5.20 C ATOM 0 H PHE A 131 13.443 7.292 -4.156 1.00 25.33 H new ATOM 0 HA PHE A 131 13.387 5.601 -1.752 1.00 13.43 H new ATOM 0 HB2 PHE A 131 11.582 6.145 -3.994 1.00 52.20 H new ATOM 0 HB3 PHE A 131 11.845 4.432 -3.734 1.00 52.20 H new ATOM 0 HD1 PHE A 131 11.530 3.588 -1.284 1.00 53.11 H new ATOM 0 HD2 PHE A 131 9.943 7.246 -2.733 1.00 20.31 H new ATOM 0 HE1 PHE A 131 9.809 3.526 0.455 1.00 64.34 H new ATOM 0 HE2 PHE A 131 8.198 7.168 -0.999 1.00 41.44 H new ATOM 0 HZ PHE A 131 8.125 5.302 0.587 1.00 5.20 H new ATOM 1261 N LYS A 132 14.491 3.593 -2.791 1.00 13.21 N ATOM 1262 CA LYS A 132 15.345 2.530 -3.269 1.00 64.23 C ATOM 1263 C LYS A 132 14.479 1.275 -3.413 1.00 15.32 C ATOM 1264 O LYS A 132 13.420 1.210 -2.814 1.00 75.02 O ATOM 1265 CB LYS A 132 16.453 2.250 -2.238 1.00 12.40 C ATOM 1266 CG LYS A 132 16.095 1.143 -1.263 1.00 24.21 C ATOM 1267 CD LYS A 132 17.217 0.776 -0.360 1.00 21.24 C ATOM 1268 CE LYS A 132 16.930 -0.576 0.255 1.00 14.33 C ATOM 1269 NZ LYS A 132 17.984 -1.010 1.181 1.00 21.24 N ATOM 0 H LYS A 132 14.096 3.420 -1.867 1.00 13.21 H new ATOM 0 HA LYS A 132 15.802 2.808 -4.219 1.00 64.23 H new ATOM 0 HB2 LYS A 132 17.370 1.981 -2.763 1.00 12.40 H new ATOM 0 HB3 LYS A 132 16.661 3.163 -1.681 1.00 12.40 H new ATOM 0 HG2 LYS A 132 15.241 1.458 -0.663 1.00 24.21 H new ATOM 0 HG3 LYS A 132 15.783 0.261 -1.822 1.00 24.21 H new ATOM 0 HD2 LYS A 132 18.154 0.746 -0.916 1.00 21.24 H new ATOM 0 HD3 LYS A 132 17.334 1.528 0.420 1.00 21.24 H new ATOM 0 HE2 LYS A 132 15.979 -0.535 0.786 1.00 14.33 H new ATOM 0 HE3 LYS A 132 16.821 -1.316 -0.538 1.00 14.33 H new ATOM 0 HZ1 LYS A 132 17.739 -1.941 1.574 1.00 21.24 H new ATOM 0 HZ2 LYS A 132 18.888 -1.077 0.671 1.00 21.24 H new ATOM 0 HZ3 LYS A 132 18.073 -0.320 1.954 1.00 21.24 H new ATOM 1283 N LEU A 133 14.944 0.274 -4.108 1.00 43.31 N ATOM 1284 CA LEU A 133 14.171 -0.928 -4.278 1.00 12.54 C ATOM 1285 C LEU A 133 14.987 -2.125 -3.840 1.00 73.41 C ATOM 1286 O LEU A 133 16.183 -2.194 -4.090 1.00 24.23 O ATOM 1287 CB LEU A 133 13.666 -1.116 -5.728 1.00 72.04 C ATOM 1288 CG LEU A 133 14.722 -1.223 -6.841 1.00 53.32 C ATOM 1289 CD1 LEU A 133 14.105 -1.865 -8.066 1.00 14.14 C ATOM 1290 CD2 LEU A 133 15.261 0.154 -7.224 1.00 30.13 C ATOM 0 H LEU A 133 15.855 0.265 -4.567 1.00 43.31 H new ATOM 0 HA LEU A 133 13.284 -0.837 -3.651 1.00 12.54 H new ATOM 0 HB2 LEU A 133 13.055 -2.018 -5.757 1.00 72.04 H new ATOM 0 HB3 LEU A 133 13.010 -0.279 -5.967 1.00 72.04 H new ATOM 0 HG LEU A 133 15.546 -1.831 -6.468 1.00 53.32 H new ATOM 0 HD11 LEU A 133 14.854 -1.940 -8.854 1.00 14.14 H new ATOM 0 HD12 LEU A 133 13.744 -2.862 -7.812 1.00 14.14 H new ATOM 0 HD13 LEU A 133 13.271 -1.256 -8.415 1.00 14.14 H new ATOM 0 HD21 LEU A 133 16.006 0.047 -8.013 1.00 30.13 H new ATOM 0 HD22 LEU A 133 14.442 0.779 -7.580 1.00 30.13 H new ATOM 0 HD23 LEU A 133 15.720 0.620 -6.352 1.00 30.13 H new ATOM 1302 N THR A 134 14.359 -3.024 -3.155 1.00 3.25 N ATOM 1303 CA THR A 134 14.981 -4.218 -2.686 1.00 63.11 C ATOM 1304 C THR A 134 13.948 -5.341 -2.790 1.00 3.23 C ATOM 1305 O THR A 134 12.819 -5.165 -2.365 1.00 5.22 O ATOM 1306 CB THR A 134 15.484 -4.026 -1.207 1.00 0.11 C ATOM 1307 OG1 THR A 134 16.030 -5.237 -0.678 1.00 2.50 O ATOM 1308 CG2 THR A 134 14.379 -3.503 -0.285 1.00 20.03 C ATOM 0 H THR A 134 13.374 -2.946 -2.900 1.00 3.25 H new ATOM 0 HA THR A 134 15.856 -4.467 -3.286 1.00 63.11 H new ATOM 0 HB THR A 134 16.273 -3.275 -1.246 1.00 0.11 H new ATOM 0 HG1 THR A 134 16.335 -5.084 0.241 1.00 2.50 H new ATOM 0 HG21 THR A 134 14.773 -3.386 0.725 1.00 20.03 H new ATOM 0 HG22 THR A 134 14.026 -2.539 -0.651 1.00 20.03 H new ATOM 0 HG23 THR A 134 13.551 -4.211 -0.272 1.00 20.03 H new ATOM 1316 N MET A 135 14.268 -6.472 -3.390 1.00 51.33 N ATOM 1317 CA MET A 135 13.223 -7.462 -3.486 1.00 71.31 C ATOM 1318 C MET A 135 13.394 -8.394 -2.339 1.00 40.33 C ATOM 1319 O MET A 135 14.303 -9.219 -2.341 1.00 42.31 O ATOM 1320 CB MET A 135 13.387 -8.298 -4.767 1.00 41.45 C ATOM 1321 CG MET A 135 13.715 -7.518 -6.011 1.00 21.04 C ATOM 1322 SD MET A 135 13.980 -8.570 -7.456 1.00 73.32 S ATOM 1323 CE MET A 135 15.444 -9.481 -6.963 1.00 33.21 C ATOM 0 H MET A 135 15.174 -6.715 -3.790 1.00 51.33 H new ATOM 0 HA MET A 135 12.253 -6.966 -3.491 1.00 71.31 H new ATOM 0 HB2 MET A 135 14.174 -9.033 -4.602 1.00 41.45 H new ATOM 0 HB3 MET A 135 12.464 -8.852 -4.939 1.00 41.45 H new ATOM 0 HG2 MET A 135 12.904 -6.821 -6.220 1.00 21.04 H new ATOM 0 HG3 MET A 135 14.610 -6.922 -5.834 1.00 21.04 H new ATOM 0 HE1 MET A 135 15.931 -9.893 -7.847 1.00 33.21 H new ATOM 0 HE2 MET A 135 16.133 -8.812 -6.448 1.00 33.21 H new ATOM 0 HE3 MET A 135 15.159 -10.293 -6.294 1.00 33.21 H new ATOM 1333 N VAL A 136 12.551 -8.257 -1.366 1.00 5.23 N ATOM 1334 CA VAL A 136 12.489 -9.150 -0.247 1.00 3.34 C ATOM 1335 C VAL A 136 11.080 -9.191 0.272 1.00 21.15 C ATOM 1336 O VAL A 136 10.648 -8.243 0.817 1.00 12.12 O ATOM 1337 CB VAL A 136 13.483 -8.750 0.918 1.00 53.34 C ATOM 1338 CG1 VAL A 136 14.876 -9.323 0.682 1.00 21.12 C ATOM 1339 CG2 VAL A 136 13.586 -7.228 1.044 1.00 63.32 C ATOM 0 H VAL A 136 11.867 -7.501 -1.324 1.00 5.23 H new ATOM 0 HA VAL A 136 12.799 -10.135 -0.596 1.00 3.34 H new ATOM 0 HB VAL A 136 13.080 -9.167 1.841 1.00 53.34 H new ATOM 0 HG11 VAL A 136 15.534 -9.030 1.500 1.00 21.12 H new ATOM 0 HG12 VAL A 136 14.819 -10.410 0.635 1.00 21.12 H new ATOM 0 HG13 VAL A 136 15.273 -8.939 -0.258 1.00 21.12 H new ATOM 0 HG21 VAL A 136 14.274 -6.975 1.851 1.00 63.32 H new ATOM 0 HG22 VAL A 136 13.955 -6.810 0.108 1.00 63.32 H new ATOM 0 HG23 VAL A 136 12.602 -6.814 1.264 1.00 63.32 H new ATOM 1349 N LYS A 137 10.357 -10.216 0.127 1.00 74.43 N ATOM 1350 CA LYS A 137 9.107 -10.235 0.833 1.00 14.01 C ATOM 1351 C LYS A 137 8.927 -11.569 1.391 1.00 63.11 C ATOM 1352 O LYS A 137 8.955 -12.561 0.668 1.00 34.30 O ATOM 1353 CB LYS A 137 7.937 -9.782 0.004 1.00 54.03 C ATOM 1354 CG LYS A 137 6.714 -9.327 0.810 1.00 22.02 C ATOM 1355 CD LYS A 137 7.096 -8.144 1.694 1.00 33.20 C ATOM 1356 CE LYS A 137 5.917 -7.277 2.134 1.00 12.52 C ATOM 1357 NZ LYS A 137 6.334 -6.378 3.215 1.00 4.05 N ATOM 0 H LYS A 137 10.573 -11.034 -0.443 1.00 74.43 H new ATOM 0 HA LYS A 137 9.145 -9.502 1.638 1.00 14.01 H new ATOM 0 HB2 LYS A 137 8.259 -8.960 -0.635 1.00 54.03 H new ATOM 0 HB3 LYS A 137 7.638 -10.598 -0.653 1.00 54.03 H new ATOM 0 HG2 LYS A 137 5.906 -9.044 0.135 1.00 22.02 H new ATOM 0 HG3 LYS A 137 6.344 -10.148 1.424 1.00 22.02 H new ATOM 0 HD2 LYS A 137 7.606 -8.519 2.581 1.00 33.20 H new ATOM 0 HD3 LYS A 137 7.809 -7.520 1.156 1.00 33.20 H new ATOM 0 HE2 LYS A 137 5.546 -6.696 1.289 1.00 12.52 H new ATOM 0 HE3 LYS A 137 5.096 -7.909 2.471 1.00 12.52 H new ATOM 0 HZ1 LYS A 137 5.495 -5.941 3.646 1.00 4.05 H new ATOM 0 HZ2 LYS A 137 6.851 -6.919 3.937 1.00 4.05 H new ATOM 0 HZ3 LYS A 137 6.952 -5.635 2.830 1.00 4.05 H new ATOM 1371 N ARG A 138 8.796 -11.622 2.653 1.00 13.44 N ATOM 1372 CA ARG A 138 8.765 -12.858 3.310 1.00 2.31 C ATOM 1373 C ARG A 138 7.427 -13.037 3.967 1.00 12.32 C ATOM 1374 O ARG A 138 6.769 -12.041 4.290 1.00 25.22 O ATOM 1375 CB ARG A 138 9.931 -12.967 4.320 1.00 23.04 C ATOM 1376 CG ARG A 138 11.352 -12.841 3.700 1.00 3.13 C ATOM 1377 CD ARG A 138 11.742 -11.383 3.362 1.00 51.04 C ATOM 1378 NE ARG A 138 11.805 -10.516 4.556 1.00 21.14 N ATOM 1379 CZ ARG A 138 11.558 -9.179 4.590 1.00 54.24 C ATOM 1380 NH1 ARG A 138 11.235 -8.516 3.482 1.00 70.42 N ATOM 1381 NH2 ARG A 138 11.653 -8.519 5.736 1.00 24.50 N ATOM 0 H ARG A 138 8.707 -10.808 3.261 1.00 13.44 H new ATOM 0 HA ARG A 138 8.899 -13.663 2.588 1.00 2.31 H new ATOM 0 HB2 ARG A 138 9.811 -12.191 5.076 1.00 23.04 H new ATOM 0 HB3 ARG A 138 9.859 -13.926 4.833 1.00 23.04 H new ATOM 0 HG2 ARG A 138 12.083 -13.254 4.395 1.00 3.13 H new ATOM 0 HG3 ARG A 138 11.400 -13.443 2.793 1.00 3.13 H new ATOM 0 HD2 ARG A 138 12.711 -11.377 2.863 1.00 51.04 H new ATOM 0 HD3 ARG A 138 11.018 -10.972 2.658 1.00 51.04 H new ATOM 0 HE ARG A 138 12.057 -10.962 5.438 1.00 21.14 H new ATOM 0 HH11 ARG A 138 11.170 -9.011 2.592 1.00 70.42 H new ATOM 0 HH12 ARG A 138 11.052 -7.513 3.523 1.00 70.42 H new ATOM 0 HH21 ARG A 138 11.911 -9.014 6.590 1.00 24.50 H new ATOM 0 HH22 ARG A 138 11.468 -7.516 5.764 1.00 24.50 H new ATOM 1395 N ASN A 139 6.985 -14.289 4.029 1.00 71.11 N ATOM 1396 CA ASN A 139 5.740 -14.709 4.699 1.00 24.13 C ATOM 1397 C ASN A 139 4.480 -14.304 3.885 1.00 65.11 C ATOM 1398 O ASN A 139 3.343 -14.394 4.364 1.00 63.04 O ATOM 1399 CB ASN A 139 5.693 -14.167 6.158 1.00 33.45 C ATOM 1400 CG ASN A 139 4.577 -14.764 7.002 1.00 73.02 C ATOM 1401 OD1 ASN A 139 4.178 -15.918 6.809 1.00 54.20 O ATOM 1402 ND2 ASN A 139 4.083 -14.008 7.948 1.00 73.14 N ATOM 0 H ASN A 139 7.490 -15.067 3.606 1.00 71.11 H new ATOM 0 HA ASN A 139 5.736 -15.798 4.749 1.00 24.13 H new ATOM 0 HB2 ASN A 139 6.649 -14.370 6.641 1.00 33.45 H new ATOM 0 HB3 ASN A 139 5.574 -13.084 6.129 1.00 33.45 H new ATOM 0 HD21 ASN A 139 3.345 -14.366 8.554 1.00 73.14 H new ATOM 0 HD22 ASN A 139 4.436 -13.060 8.080 1.00 73.14 H new ATOM 1409 N ASN A 140 4.672 -13.928 2.632 1.00 63.25 N ATOM 1410 CA ASN A 140 3.548 -13.509 1.776 1.00 44.15 C ATOM 1411 C ASN A 140 3.748 -14.025 0.362 1.00 52.41 C ATOM 1412 O ASN A 140 3.182 -15.034 -0.030 1.00 11.10 O ATOM 1413 CB ASN A 140 3.401 -11.974 1.717 1.00 42.10 C ATOM 1414 CG ASN A 140 3.101 -11.299 3.028 1.00 11.52 C ATOM 1415 OD1 ASN A 140 1.944 -11.127 3.400 1.00 51.23 O ATOM 1416 ND2 ASN A 140 4.135 -10.888 3.718 1.00 40.55 N ATOM 0 H ASN A 140 5.584 -13.900 2.177 1.00 63.25 H new ATOM 0 HA ASN A 140 2.643 -13.929 2.216 1.00 44.15 H new ATOM 0 HB2 ASN A 140 4.323 -11.554 1.315 1.00 42.10 H new ATOM 0 HB3 ASN A 140 2.606 -11.730 1.013 1.00 42.10 H new ATOM 0 HD21 ASN A 140 3.996 -10.403 4.604 1.00 40.55 H new ATOM 0 HD22 ASN A 140 5.079 -11.053 3.369 1.00 40.55 H new ATOM 1423 N GLN A 141 4.595 -13.329 -0.366 1.00 11.14 N ATOM 1424 CA GLN A 141 4.977 -13.620 -1.729 1.00 55.15 C ATOM 1425 C GLN A 141 6.227 -12.830 -1.930 1.00 74.31 C ATOM 1426 O GLN A 141 6.513 -12.004 -1.093 1.00 41.11 O ATOM 1427 CB GLN A 141 3.941 -13.132 -2.781 1.00 73.21 C ATOM 1428 CG GLN A 141 3.863 -11.621 -3.019 1.00 51.12 C ATOM 1429 CD GLN A 141 3.053 -10.837 -2.026 1.00 1.41 C ATOM 1430 OE1 GLN A 141 1.862 -10.601 -2.230 1.00 61.14 O ATOM 1431 NE2 GLN A 141 3.682 -10.379 -0.988 1.00 35.23 N ATOM 0 H GLN A 141 5.061 -12.498 -0.001 1.00 11.14 H new ATOM 0 HA GLN A 141 5.073 -14.697 -1.865 1.00 55.15 H new ATOM 0 HB2 GLN A 141 4.168 -13.615 -3.731 1.00 73.21 H new ATOM 0 HB3 GLN A 141 2.955 -13.480 -2.474 1.00 73.21 H new ATOM 0 HG2 GLN A 141 4.877 -11.222 -3.026 1.00 51.12 H new ATOM 0 HG3 GLN A 141 3.447 -11.451 -4.012 1.00 51.12 H new ATOM 0 HE21 GLN A 141 4.669 -10.596 -0.853 1.00 35.23 H new ATOM 0 HE22 GLN A 141 3.189 -9.802 -0.307 1.00 35.23 H new ATOM 1440 N THR A 142 6.925 -13.009 -3.006 1.00 40.31 N ATOM 1441 CA THR A 142 8.104 -12.230 -3.248 1.00 71.44 C ATOM 1442 C THR A 142 7.814 -11.041 -4.194 1.00 35.24 C ATOM 1443 O THR A 142 7.473 -11.204 -5.364 1.00 73.42 O ATOM 1444 CB THR A 142 9.291 -13.108 -3.685 1.00 61.35 C ATOM 1445 OG1 THR A 142 8.846 -14.122 -4.614 1.00 53.34 O ATOM 1446 CG2 THR A 142 9.960 -13.760 -2.457 1.00 70.53 C ATOM 0 H THR A 142 6.701 -13.688 -3.734 1.00 40.31 H new ATOM 0 HA THR A 142 8.414 -11.782 -2.304 1.00 71.44 H new ATOM 0 HB THR A 142 10.027 -12.477 -4.183 1.00 61.35 H new ATOM 0 HG1 THR A 142 9.609 -14.673 -4.887 1.00 53.34 H new ATOM 0 HG21 THR A 142 10.797 -14.377 -2.784 1.00 70.53 H new ATOM 0 HG22 THR A 142 10.323 -12.983 -1.785 1.00 70.53 H new ATOM 0 HG23 THR A 142 9.233 -14.382 -1.934 1.00 70.53 H new ATOM 1454 N ILE A 143 7.886 -9.868 -3.610 1.00 45.21 N ATOM 1455 CA ILE A 143 7.539 -8.582 -4.168 1.00 1.33 C ATOM 1456 C ILE A 143 8.607 -7.565 -3.816 1.00 1.40 C ATOM 1457 O ILE A 143 9.377 -7.793 -2.871 1.00 61.00 O ATOM 1458 CB ILE A 143 6.106 -8.102 -3.815 1.00 4.25 C ATOM 1459 CG1 ILE A 143 5.830 -8.188 -2.353 1.00 22.23 C ATOM 1460 CG2 ILE A 143 5.063 -8.844 -4.597 1.00 15.30 C ATOM 1461 CD1 ILE A 143 6.449 -7.063 -1.586 1.00 13.41 C ATOM 0 H ILE A 143 8.218 -9.782 -2.649 1.00 45.21 H new ATOM 0 HA ILE A 143 7.512 -8.697 -5.252 1.00 1.33 H new ATOM 0 HB ILE A 143 6.054 -7.051 -4.098 1.00 4.25 H new ATOM 0 HG12 ILE A 143 4.752 -8.185 -2.189 1.00 22.23 H new ATOM 0 HG13 ILE A 143 6.208 -9.136 -1.970 1.00 22.23 H new ATOM 0 HG21 ILE A 143 4.074 -8.479 -4.321 1.00 15.30 H new ATOM 0 HG22 ILE A 143 5.225 -8.684 -5.663 1.00 15.30 H new ATOM 0 HG23 ILE A 143 5.132 -9.909 -4.376 1.00 15.30 H new ATOM 0 HD11 ILE A 143 6.217 -7.174 -0.527 1.00 13.41 H new ATOM 0 HD12 ILE A 143 7.530 -7.080 -1.725 1.00 13.41 H new ATOM 0 HD13 ILE A 143 6.051 -6.114 -1.947 1.00 13.41 H new ATOM 1473 N PHE A 144 8.702 -6.506 -4.569 1.00 73.13 N ATOM 1474 CA PHE A 144 9.794 -5.578 -4.430 1.00 42.22 C ATOM 1475 C PHE A 144 9.419 -4.551 -3.393 1.00 35.44 C ATOM 1476 O PHE A 144 8.356 -3.922 -3.462 1.00 44.31 O ATOM 1477 CB PHE A 144 9.946 -4.777 -5.726 1.00 24.32 C ATOM 1478 CG PHE A 144 10.174 -5.552 -6.975 1.00 31.31 C ATOM 1479 CD1 PHE A 144 9.117 -6.113 -7.673 1.00 41.13 C ATOM 1480 CD2 PHE A 144 11.431 -5.671 -7.472 1.00 45.25 C ATOM 1481 CE1 PHE A 144 9.332 -6.786 -8.854 1.00 25.52 C ATOM 1482 CE2 PHE A 144 11.666 -6.348 -8.650 1.00 73.34 C ATOM 1483 CZ PHE A 144 10.614 -6.905 -9.343 1.00 32.51 C ATOM 0 H PHE A 144 8.029 -6.260 -5.295 1.00 73.13 H new ATOM 0 HA PHE A 144 10.696 -6.135 -4.177 1.00 42.22 H new ATOM 0 HB2 PHE A 144 9.047 -4.175 -5.860 1.00 24.32 H new ATOM 0 HB3 PHE A 144 10.778 -4.084 -5.601 1.00 24.32 H new ATOM 0 HD1 PHE A 144 8.113 -6.021 -7.286 1.00 41.13 H new ATOM 0 HD2 PHE A 144 12.259 -5.229 -6.937 1.00 45.25 H new ATOM 0 HE1 PHE A 144 8.502 -7.218 -9.393 1.00 25.52 H new ATOM 0 HE2 PHE A 144 12.673 -6.441 -9.029 1.00 73.34 H new ATOM 0 HZ PHE A 144 10.794 -7.434 -10.267 1.00 32.51 H new ATOM 1493 N GLU A 145 10.283 -4.399 -2.428 1.00 21.33 N ATOM 1494 CA GLU A 145 10.068 -3.483 -1.367 1.00 34.43 C ATOM 1495 C GLU A 145 10.817 -2.215 -1.680 1.00 55.01 C ATOM 1496 O GLU A 145 11.943 -2.255 -2.173 1.00 54.22 O ATOM 1497 CB GLU A 145 10.511 -4.057 -0.007 1.00 22.12 C ATOM 1498 CG GLU A 145 9.884 -5.389 0.358 1.00 12.10 C ATOM 1499 CD GLU A 145 9.606 -5.551 1.874 1.00 25.20 C ATOM 1500 OE1 GLU A 145 8.490 -5.167 2.334 1.00 1.21 O ATOM 1501 OE2 GLU A 145 10.464 -6.065 2.632 1.00 15.54 O ATOM 0 H GLU A 145 11.160 -4.916 -2.365 1.00 21.33 H new ATOM 0 HA GLU A 145 9.000 -3.282 -1.283 1.00 34.43 H new ATOM 0 HB2 GLU A 145 11.595 -4.172 -0.013 1.00 22.12 H new ATOM 0 HB3 GLU A 145 10.271 -3.333 0.772 1.00 22.12 H new ATOM 0 HG2 GLU A 145 8.948 -5.502 -0.188 1.00 12.10 H new ATOM 0 HG3 GLU A 145 10.543 -6.193 0.030 1.00 12.10 H new ATOM 1508 N GLN A 146 10.222 -1.110 -1.412 1.00 13.05 N ATOM 1509 CA GLN A 146 10.815 0.143 -1.741 1.00 64.52 C ATOM 1510 C GLN A 146 11.053 0.931 -0.451 1.00 43.41 C ATOM 1511 O GLN A 146 10.094 1.265 0.262 1.00 63.14 O ATOM 1512 CB GLN A 146 9.905 0.891 -2.736 1.00 24.15 C ATOM 1513 CG GLN A 146 10.636 1.983 -3.471 1.00 41.44 C ATOM 1514 CD GLN A 146 9.878 2.627 -4.601 1.00 33.03 C ATOM 1515 OE1 GLN A 146 9.960 2.192 -5.741 1.00 13.21 O ATOM 1516 NE2 GLN A 146 9.162 3.688 -4.313 1.00 2.10 N ATOM 0 H GLN A 146 9.311 -1.044 -0.959 1.00 13.05 H new ATOM 0 HA GLN A 146 11.781 0.006 -2.228 1.00 64.52 H new ATOM 0 HB2 GLN A 146 9.498 0.181 -3.456 1.00 24.15 H new ATOM 0 HB3 GLN A 146 9.060 1.321 -2.199 1.00 24.15 H new ATOM 0 HG2 GLN A 146 10.912 2.757 -2.755 1.00 41.44 H new ATOM 0 HG3 GLN A 146 11.564 1.571 -3.868 1.00 41.44 H new ATOM 0 HE21 GLN A 146 9.114 4.025 -3.352 1.00 2.10 H new ATOM 0 HE22 GLN A 146 8.653 4.175 -5.050 1.00 2.10 H new ATOM 1525 N THR A 147 12.327 1.154 -0.104 1.00 34.33 N ATOM 1526 CA THR A 147 12.687 1.841 1.150 1.00 42.00 C ATOM 1527 C THR A 147 13.308 3.188 0.857 1.00 74.35 C ATOM 1528 O THR A 147 13.769 3.425 -0.249 1.00 33.22 O ATOM 1529 CB THR A 147 13.701 1.012 1.956 1.00 34.03 C ATOM 1530 OG1 THR A 147 13.877 -0.268 1.314 1.00 51.52 O ATOM 1531 CG2 THR A 147 13.191 0.793 3.369 1.00 53.02 C ATOM 0 H THR A 147 13.127 0.871 -0.670 1.00 34.33 H new ATOM 0 HA THR A 147 11.771 1.968 1.727 1.00 42.00 H new ATOM 0 HB THR A 147 14.650 1.547 1.998 1.00 34.03 H new ATOM 0 HG1 THR A 147 14.252 -0.907 1.956 1.00 51.52 H new ATOM 0 HG21 THR A 147 13.917 0.205 3.931 1.00 53.02 H new ATOM 0 HG22 THR A 147 13.049 1.757 3.858 1.00 53.02 H new ATOM 0 HG23 THR A 147 12.241 0.260 3.334 1.00 53.02 H new ATOM 1539 N ILE A 148 13.322 4.047 1.824 1.00 43.30 N ATOM 1540 CA ILE A 148 13.877 5.369 1.664 1.00 61.03 C ATOM 1541 C ILE A 148 15.194 5.420 2.402 1.00 44.24 C ATOM 1542 O ILE A 148 15.428 4.632 3.309 1.00 14.40 O ATOM 1543 CB ILE A 148 12.936 6.428 2.257 1.00 70.52 C ATOM 1544 CG1 ILE A 148 11.522 6.090 1.838 1.00 51.10 C ATOM 1545 CG2 ILE A 148 13.316 7.787 1.683 1.00 53.30 C ATOM 1546 CD1 ILE A 148 10.428 6.671 2.673 1.00 22.24 C ATOM 0 H ILE A 148 12.949 3.859 2.755 1.00 43.30 H new ATOM 0 HA ILE A 148 14.012 5.577 0.603 1.00 61.03 H new ATOM 0 HB ILE A 148 13.012 6.450 3.344 1.00 70.52 H new ATOM 0 HG12 ILE A 148 11.381 6.423 0.810 1.00 51.10 H new ATOM 0 HG13 ILE A 148 11.415 5.005 1.840 1.00 51.10 H new ATOM 0 HG21 ILE A 148 12.657 8.552 2.093 1.00 53.30 H new ATOM 0 HG22 ILE A 148 14.348 8.017 1.946 1.00 53.30 H new ATOM 0 HG23 ILE A 148 13.215 7.765 0.598 1.00 53.30 H new ATOM 0 HD11 ILE A 148 9.462 6.359 2.275 1.00 22.24 H new ATOM 0 HD12 ILE A 148 10.528 6.320 3.700 1.00 22.24 H new ATOM 0 HD13 ILE A 148 10.494 7.759 2.654 1.00 22.24 H new ATOM 1558 N ASN A 149 16.056 6.302 1.990 1.00 74.05 N ATOM 1559 CA ASN A 149 17.360 6.486 2.614 1.00 72.22 C ATOM 1560 C ASN A 149 17.345 7.676 3.569 1.00 71.43 C ATOM 1561 O ASN A 149 18.396 8.158 4.003 1.00 41.22 O ATOM 1562 CB ASN A 149 18.446 6.668 1.529 1.00 52.10 C ATOM 1563 CG ASN A 149 18.092 7.669 0.421 1.00 62.23 C ATOM 1564 OD1 ASN A 149 17.378 8.723 0.740 1.00 53.41 O flip ATOM 1565 ND2 ASN A 149 18.501 7.491 -0.729 1.00 13.12 N flip ATOM 0 H ASN A 149 15.884 6.928 1.203 1.00 74.05 H new ATOM 0 HA ASN A 149 17.594 5.595 3.197 1.00 72.22 H new ATOM 0 HB2 ASN A 149 19.369 6.992 2.010 1.00 52.10 H new ATOM 0 HB3 ASN A 149 18.648 5.699 1.072 1.00 52.10 H new ATOM 0 HD21 ASN A 149 19.054 6.663 -0.951 1.00 13.12 H new ATOM 0 HD22 ASN A 149 18.286 8.171 -1.458 1.00 13.12 H new ATOM 1572 N ASP A 150 16.158 8.141 3.910 1.00 3.41 N ATOM 1573 CA ASP A 150 16.045 9.338 4.733 1.00 61.45 C ATOM 1574 C ASP A 150 14.747 9.353 5.495 1.00 44.22 C ATOM 1575 O ASP A 150 14.723 9.366 6.726 1.00 74.03 O ATOM 1576 CB ASP A 150 16.068 10.543 3.831 1.00 64.05 C ATOM 1577 CG ASP A 150 16.306 11.831 4.574 1.00 44.22 C ATOM 1578 OD1 ASP A 150 15.371 12.403 5.142 1.00 34.45 O ATOM 1579 OD2 ASP A 150 17.468 12.291 4.595 1.00 43.20 O ATOM 0 H ASP A 150 15.270 7.719 3.637 1.00 3.41 H new ATOM 0 HA ASP A 150 16.873 9.350 5.441 1.00 61.45 H new ATOM 0 HB2 ASP A 150 16.848 10.413 3.081 1.00 64.05 H new ATOM 0 HB3 ASP A 150 15.120 10.608 3.297 1.00 64.05 H new ATOM 1584 N LEU A 151 13.667 9.283 4.745 1.00 24.03 N ATOM 1585 CA LEU A 151 12.289 9.389 5.246 1.00 40.23 C ATOM 1586 C LEU A 151 11.849 8.070 5.876 1.00 55.25 C ATOM 1587 O LEU A 151 10.668 7.821 6.082 1.00 62.11 O ATOM 1588 CB LEU A 151 11.395 9.706 4.068 1.00 53.04 C ATOM 1589 CG LEU A 151 11.855 10.851 3.183 1.00 72.22 C ATOM 1590 CD1 LEU A 151 11.338 10.669 1.781 1.00 75.30 C ATOM 1591 CD2 LEU A 151 11.353 12.140 3.721 1.00 4.32 C ATOM 0 H LEU A 151 13.713 9.146 3.735 1.00 24.03 H new ATOM 0 HA LEU A 151 12.227 10.169 6.005 1.00 40.23 H new ATOM 0 HB2 LEU A 151 11.303 8.810 3.454 1.00 53.04 H new ATOM 0 HB3 LEU A 151 10.399 9.939 4.444 1.00 53.04 H new ATOM 0 HG LEU A 151 12.945 10.858 3.168 1.00 72.22 H new ATOM 0 HD11 LEU A 151 11.676 11.497 1.158 1.00 75.30 H new ATOM 0 HD12 LEU A 151 11.715 9.731 1.373 1.00 75.30 H new ATOM 0 HD13 LEU A 151 10.248 10.647 1.795 1.00 75.30 H new ATOM 0 HD21 LEU A 151 11.687 12.956 3.081 1.00 4.32 H new ATOM 0 HD22 LEU A 151 10.263 12.123 3.749 1.00 4.32 H new ATOM 0 HD23 LEU A 151 11.739 12.288 4.729 1.00 4.32 H new ATOM 1603 N THR A 152 12.822 7.250 6.152 1.00 3.25 N ATOM 1604 CA THR A 152 12.683 5.983 6.792 1.00 55.53 C ATOM 1605 C THR A 152 12.084 6.186 8.189 1.00 63.11 C ATOM 1606 O THR A 152 11.299 5.374 8.688 1.00 61.33 O ATOM 1607 CB THR A 152 14.096 5.426 6.929 1.00 42.41 C ATOM 1608 OG1 THR A 152 14.783 5.697 5.702 1.00 34.41 O ATOM 1609 CG2 THR A 152 14.099 3.929 7.177 1.00 54.34 C ATOM 0 H THR A 152 13.791 7.466 5.920 1.00 3.25 H new ATOM 0 HA THR A 152 12.035 5.313 6.227 1.00 55.53 H new ATOM 0 HB THR A 152 14.581 5.897 7.784 1.00 42.41 H new ATOM 0 HG1 THR A 152 14.718 4.917 5.112 1.00 34.41 H new ATOM 0 HG21 THR A 152 15.127 3.577 7.268 1.00 54.34 H new ATOM 0 HG22 THR A 152 13.558 3.712 8.098 1.00 54.34 H new ATOM 0 HG23 THR A 152 13.614 3.421 6.343 1.00 54.34 H new ATOM 1617 N PHE A 153 12.441 7.296 8.792 1.00 31.30 N ATOM 1618 CA PHE A 153 11.989 7.633 10.122 1.00 51.34 C ATOM 1619 C PHE A 153 10.972 8.748 10.024 1.00 52.23 C ATOM 1620 O PHE A 153 11.168 9.679 9.226 1.00 5.03 O ATOM 1621 CB PHE A 153 13.174 8.095 10.978 1.00 4.52 C ATOM 1622 CG PHE A 153 14.300 7.099 11.066 1.00 41.31 C ATOM 1623 CD1 PHE A 153 14.313 6.134 12.054 1.00 12.22 C ATOM 1624 CD2 PHE A 153 15.347 7.130 10.152 1.00 5.01 C ATOM 1625 CE1 PHE A 153 15.340 5.219 12.132 1.00 74.13 C ATOM 1626 CE2 PHE A 153 16.376 6.218 10.228 1.00 50.11 C ATOM 1627 CZ PHE A 153 16.372 5.260 11.219 1.00 14.42 C ATOM 0 H PHE A 153 13.056 7.994 8.372 1.00 31.30 H new ATOM 0 HA PHE A 153 11.539 6.756 10.587 1.00 51.34 H new ATOM 0 HB2 PHE A 153 13.561 9.028 10.569 1.00 4.52 H new ATOM 0 HB3 PHE A 153 12.817 8.312 11.985 1.00 4.52 H new ATOM 0 HD1 PHE A 153 13.509 6.096 12.774 1.00 12.22 H new ATOM 0 HD2 PHE A 153 15.353 7.878 9.373 1.00 5.01 H new ATOM 0 HE1 PHE A 153 15.337 4.469 12.909 1.00 74.13 H new ATOM 0 HE2 PHE A 153 17.184 6.253 9.513 1.00 50.11 H new ATOM 0 HZ PHE A 153 17.177 4.542 11.280 1.00 14.42 H new