USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 940 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 64 GLN : amide:sc= 1.29 K(o=2,f=1.3) USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0.681 K(o=2,f=-7.9!) USER MOD Set 2.1: A 31 GLN : amide:sc= 1.01 K(o=2.1,f=-0.24) USER MOD Set 2.2: A 35 ASN : amide:sc= 1.12 K(o=2.1,f=0.93) USER MOD Set 3.1: A 16 MET CE :methyl 154:sc=-0.00735 (180deg=-0.217) USER MOD Set 3.2: A 30 MET CE :methyl 180:sc= -0.229 (180deg=-0.229) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.761 K(o=0.76,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0608 X(o=-0.061,f=-0.0015) USER MOD Single : A 44 THR OG1 : rot -30:sc= 0.0173 USER MOD Single : A 45 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.72) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0367) USER MOD Single : A 66 MET CE :methyl -122:sc= 0 (180deg=-0.0828) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : +bothHN:sc= 0.122 K(o=0.12,f=-6.4!) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0285) USER MOD Single : A 74 MET CE :methyl -120:sc=-0.00527 (180deg=-0.173) USER MOD Single : A 78 MET CE :methyl 178:sc= -0.189 (180deg=-0.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.0442 K(o=0.044,f=-6!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= 1.16 (180deg=0.906) USER MOD Single : A 95 HIS : no HD1:sc= 0.862 K(o=0.86,f=-4.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.404 USER MOD Single : A 112 MET CE :methyl 175:sc= -0.0111 (180deg=-0.0841) USER MOD Single : A 114 ASN : amide:sc= 0.512 K(o=0.51,f=-0.81) USER MOD Single : A 117 MET CE :methyl -165:sc= -0.0526 (180deg=-0.389) USER MOD Single : A 120 LYS NZ :NH3+ -142:sc= -0.227 (180deg=-1.12) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 LYS NZ :NH3+ -168:sc= 0.594 (180deg=0.514) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N PRO A 15 -2.476 -7.404 8.635 1.00 51.02 N ATOM 240 CA PRO A 15 -3.778 -6.760 8.556 1.00 73.11 C ATOM 241 C PRO A 15 -3.764 -5.264 8.816 1.00 21.34 C ATOM 242 O PRO A 15 -4.611 -4.587 8.243 1.00 44.44 O ATOM 243 CB PRO A 15 -4.639 -7.531 9.567 1.00 64.41 C ATOM 244 CG PRO A 15 -3.659 -8.125 10.577 1.00 52.14 C ATOM 245 CD PRO A 15 -2.373 -8.319 9.776 1.00 44.53 C ATOM 0 HA PRO A 15 -4.172 -6.806 7.541 1.00 73.11 H new ATOM 0 HB2 PRO A 15 -5.354 -6.870 10.057 1.00 64.41 H new ATOM 0 HB3 PRO A 15 -5.215 -8.314 9.074 1.00 64.41 H new ATOM 0 HG2 PRO A 15 -3.505 -7.456 11.424 1.00 52.14 H new ATOM 0 HG3 PRO A 15 -4.025 -9.070 10.980 1.00 52.14 H new ATOM 0 HD2 PRO A 15 -1.496 -8.092 10.382 1.00 44.53 H new ATOM 0 HD3 PRO A 15 -2.271 -9.352 9.442 1.00 44.53 H new ATOM 253 N MET A 16 -2.841 -4.686 9.622 1.00 64.24 N ATOM 254 CA MET A 16 -2.777 -3.239 9.788 1.00 14.21 C ATOM 255 C MET A 16 -2.394 -2.472 8.527 1.00 5.30 C ATOM 256 O MET A 16 -3.010 -1.454 8.208 1.00 23.40 O ATOM 257 CB MET A 16 -1.822 -2.827 10.937 1.00 20.32 C ATOM 258 CG MET A 16 -2.352 -3.111 12.356 1.00 23.13 C ATOM 259 SD MET A 16 -1.203 -2.748 13.724 1.00 53.10 S ATOM 260 CE MET A 16 -1.092 -0.948 13.528 1.00 50.13 C ATOM 0 H MET A 16 -2.144 -5.205 10.156 1.00 64.24 H new ATOM 0 HA MET A 16 -3.801 -2.961 10.036 1.00 14.21 H new ATOM 0 HB2 MET A 16 -0.875 -3.350 10.807 1.00 20.32 H new ATOM 0 HB3 MET A 16 -1.612 -1.761 10.850 1.00 20.32 H new ATOM 0 HG2 MET A 16 -3.261 -2.528 12.507 1.00 23.13 H new ATOM 0 HG3 MET A 16 -2.634 -4.162 12.414 1.00 23.13 H new ATOM 0 HE1 MET A 16 -0.839 -0.493 14.485 1.00 50.13 H new ATOM 0 HE2 MET A 16 -0.320 -0.709 12.797 1.00 50.13 H new ATOM 0 HE3 MET A 16 -2.051 -0.560 13.184 1.00 50.13 H new ATOM 270 N GLU A 17 -1.384 -2.945 7.754 1.00 5.01 N ATOM 271 CA GLU A 17 -0.993 -2.311 6.507 1.00 15.30 C ATOM 272 C GLU A 17 -2.045 -2.508 5.435 1.00 54.14 C ATOM 273 O GLU A 17 -2.266 -1.643 4.589 1.00 53.51 O ATOM 274 CB GLU A 17 0.400 -2.799 6.012 1.00 20.21 C ATOM 275 CG GLU A 17 0.507 -4.288 5.597 1.00 73.05 C ATOM 276 CD GLU A 17 1.945 -4.695 5.262 1.00 53.13 C ATOM 277 OE1 GLU A 17 2.434 -5.674 5.885 1.00 34.45 O ATOM 278 OE2 GLU A 17 2.563 -4.039 4.382 1.00 63.45 O ATOM 0 H GLU A 17 -0.833 -3.770 7.990 1.00 5.01 H new ATOM 0 HA GLU A 17 -0.909 -1.243 6.710 1.00 15.30 H new ATOM 0 HB2 GLU A 17 0.692 -2.186 5.159 1.00 20.21 H new ATOM 0 HB3 GLU A 17 1.127 -2.613 6.803 1.00 20.21 H new ATOM 0 HG2 GLU A 17 0.133 -4.916 6.405 1.00 73.05 H new ATOM 0 HG3 GLU A 17 -0.131 -4.469 4.732 1.00 73.05 H new ATOM 285 N ALA A 18 -2.759 -3.656 5.475 1.00 74.41 N ATOM 286 CA ALA A 18 -3.937 -3.882 4.673 1.00 62.04 C ATOM 287 C ALA A 18 -5.086 -2.951 4.996 1.00 43.05 C ATOM 288 O ALA A 18 -5.665 -2.373 4.085 1.00 31.33 O ATOM 289 CB ALA A 18 -4.466 -5.308 4.813 1.00 32.50 C ATOM 0 H ALA A 18 -2.515 -4.444 6.075 1.00 74.41 H new ATOM 0 HA ALA A 18 -3.595 -3.691 3.656 1.00 62.04 H new ATOM 0 HB1 ALA A 18 -5.353 -5.430 4.191 1.00 32.50 H new ATOM 0 HB2 ALA A 18 -3.699 -6.014 4.494 1.00 32.50 H new ATOM 0 HB3 ALA A 18 -4.724 -5.500 5.854 1.00 32.50 H new ATOM 295 N CYS A 19 -5.414 -2.723 6.289 1.00 73.32 N ATOM 296 CA CYS A 19 -6.450 -1.783 6.696 1.00 55.12 C ATOM 297 C CYS A 19 -6.108 -0.389 6.216 1.00 22.53 C ATOM 298 O CYS A 19 -6.945 0.256 5.604 1.00 23.33 O ATOM 299 CB CYS A 19 -6.634 -1.798 8.232 1.00 42.23 C ATOM 300 SG CYS A 19 -7.427 -3.345 8.761 1.00 64.25 S ATOM 0 H CYS A 19 -4.959 -3.194 7.071 1.00 73.32 H new ATOM 0 HA CYS A 19 -7.391 -2.089 6.240 1.00 55.12 H new ATOM 0 HB2 CYS A 19 -5.666 -1.693 8.721 1.00 42.23 H new ATOM 0 HB3 CYS A 19 -7.241 -0.947 8.540 1.00 42.23 H new ATOM 305 N LYS A 20 -4.854 0.094 6.335 1.00 44.25 N ATOM 306 CA LYS A 20 -4.536 1.470 5.976 1.00 70.21 C ATOM 307 C LYS A 20 -4.852 1.786 4.515 1.00 22.34 C ATOM 308 O LYS A 20 -5.455 2.813 4.196 1.00 33.15 O ATOM 309 CB LYS A 20 -3.048 1.740 6.305 1.00 53.52 C ATOM 310 CG LYS A 20 -2.550 3.190 6.125 1.00 20.01 C ATOM 311 CD LYS A 20 -2.026 3.577 4.733 1.00 34.10 C ATOM 312 CE LYS A 20 -0.618 3.066 4.433 1.00 72.42 C ATOM 313 NZ LYS A 20 -0.230 3.457 3.063 1.00 42.23 N ATOM 0 H LYS A 20 -4.061 -0.450 6.674 1.00 44.25 H new ATOM 0 HA LYS A 20 -5.169 2.135 6.563 1.00 70.21 H new ATOM 0 HB2 LYS A 20 -2.869 1.445 7.339 1.00 53.52 H new ATOM 0 HB3 LYS A 20 -2.438 1.090 5.678 1.00 53.52 H new ATOM 0 HG2 LYS A 20 -3.368 3.864 6.379 1.00 20.01 H new ATOM 0 HG3 LYS A 20 -1.754 3.368 6.849 1.00 20.01 H new ATOM 0 HD2 LYS A 20 -2.710 3.189 3.978 1.00 34.10 H new ATOM 0 HD3 LYS A 20 -2.034 4.663 4.643 1.00 34.10 H new ATOM 0 HE2 LYS A 20 0.090 3.476 5.153 1.00 72.42 H new ATOM 0 HE3 LYS A 20 -0.584 1.981 4.536 1.00 72.42 H new ATOM 0 HZ1 LYS A 20 0.729 3.108 2.861 1.00 42.23 H new ATOM 0 HZ2 LYS A 20 -0.899 3.045 2.382 1.00 42.23 H new ATOM 0 HZ3 LYS A 20 -0.246 4.494 2.980 1.00 42.23 H new ATOM 327 N GLN A 21 -4.508 0.865 3.590 1.00 74.44 N ATOM 328 CA GLN A 21 -4.849 1.023 2.189 1.00 60.22 C ATOM 329 C GLN A 21 -6.293 0.708 1.849 1.00 11.30 C ATOM 330 O GLN A 21 -6.921 1.420 1.069 1.00 4.51 O ATOM 331 CB GLN A 21 -3.937 0.167 1.304 1.00 71.11 C ATOM 332 CG GLN A 21 -4.070 -1.345 1.539 1.00 73.04 C ATOM 333 CD GLN A 21 -2.924 -2.154 0.959 1.00 42.21 C ATOM 334 OE1 GLN A 21 -2.836 -2.445 -0.235 1.00 4.40 O ATOM 335 NE2 GLN A 21 -2.049 -2.610 1.892 1.00 73.04 N ATOM 0 H GLN A 21 -3.995 0.010 3.803 1.00 74.44 H new ATOM 0 HA GLN A 21 -4.701 2.084 1.990 1.00 60.22 H new ATOM 0 HB2 GLN A 21 -4.158 0.382 0.259 1.00 71.11 H new ATOM 0 HB3 GLN A 21 -2.902 0.461 1.477 1.00 71.11 H new ATOM 0 HG2 GLN A 21 -4.131 -1.534 2.611 1.00 73.04 H new ATOM 0 HG3 GLN A 21 -5.006 -1.691 1.101 1.00 73.04 H new ATOM 0 HE21 GLN A 21 -2.161 -2.343 2.870 1.00 73.04 H new ATOM 0 HE22 GLN A 21 -1.280 -3.220 1.615 1.00 73.04 H new ATOM 344 N GLU A 22 -6.859 -0.349 2.478 1.00 20.53 N ATOM 345 CA GLU A 22 -8.231 -0.828 2.318 1.00 42.14 C ATOM 346 C GLU A 22 -9.206 0.246 2.680 1.00 65.00 C ATOM 347 O GLU A 22 -10.234 0.436 2.034 1.00 53.42 O ATOM 348 CB GLU A 22 -8.514 -2.065 3.181 1.00 54.03 C ATOM 349 CG GLU A 22 -9.904 -2.700 2.942 1.00 31.33 C ATOM 350 CD GLU A 22 -10.099 -3.267 1.532 1.00 2.03 C ATOM 351 OE1 GLU A 22 -11.084 -2.865 0.863 1.00 42.33 O ATOM 352 OE2 GLU A 22 -9.275 -4.130 1.132 1.00 55.01 O ATOM 0 H GLU A 22 -6.333 -0.914 3.145 1.00 20.53 H new ATOM 0 HA GLU A 22 -8.348 -1.103 1.270 1.00 42.14 H new ATOM 0 HB2 GLU A 22 -7.746 -2.814 2.986 1.00 54.03 H new ATOM 0 HB3 GLU A 22 -8.429 -1.788 4.232 1.00 54.03 H new ATOM 0 HG2 GLU A 22 -10.056 -3.499 3.668 1.00 31.33 H new ATOM 0 HG3 GLU A 22 -10.672 -1.949 3.129 1.00 31.33 H new ATOM 359 N LEU A 23 -8.876 0.983 3.749 1.00 43.20 N ATOM 360 CA LEU A 23 -9.767 1.994 4.258 1.00 42.44 C ATOM 361 C LEU A 23 -9.532 3.312 3.538 1.00 62.45 C ATOM 362 O LEU A 23 -10.313 4.249 3.694 1.00 55.30 O ATOM 363 CB LEU A 23 -9.550 2.233 5.757 1.00 11.13 C ATOM 364 CG LEU A 23 -9.696 1.005 6.682 1.00 11.14 C ATOM 365 CD1 LEU A 23 -9.977 1.462 8.100 1.00 62.24 C ATOM 366 CD2 LEU A 23 -10.455 -0.237 6.211 1.00 24.34 C ATOM 0 H LEU A 23 -8.001 0.887 4.264 1.00 43.20 H new ATOM 0 HA LEU A 23 -10.783 1.637 4.091 1.00 42.44 H new ATOM 0 HB2 LEU A 23 -8.551 2.646 5.895 1.00 11.13 H new ATOM 0 HB3 LEU A 23 -10.258 2.994 6.087 1.00 11.13 H new ATOM 0 HG LEU A 23 -8.716 0.530 6.634 1.00 11.14 H new ATOM 0 HD11 LEU A 23 -10.079 0.592 8.749 1.00 62.24 H new ATOM 0 HD12 LEU A 23 -9.153 2.083 8.452 1.00 62.24 H new ATOM 0 HD13 LEU A 23 -10.901 2.040 8.120 1.00 62.24 H new ATOM 0 HD21 LEU A 23 -10.448 -0.989 7.000 1.00 24.34 H new ATOM 0 HD22 LEU A 23 -11.485 0.033 5.977 1.00 24.34 H new ATOM 0 HD23 LEU A 23 -9.974 -0.641 5.320 1.00 24.34 H new ATOM 378 N ASN A 24 -8.438 3.395 2.735 1.00 44.31 N ATOM 379 CA ASN A 24 -7.972 4.579 2.028 1.00 3.04 C ATOM 380 C ASN A 24 -7.679 5.757 2.957 1.00 72.51 C ATOM 381 O ASN A 24 -8.091 6.893 2.734 1.00 51.43 O ATOM 382 CB ASN A 24 -8.986 4.937 0.898 1.00 41.53 C ATOM 383 CG ASN A 24 -8.448 5.900 -0.163 1.00 63.31 C ATOM 384 OD1 ASN A 24 -9.052 6.929 -0.472 1.00 35.02 O ATOM 385 ND2 ASN A 24 -7.295 5.531 -0.781 1.00 43.21 N ATOM 0 H ASN A 24 -7.839 2.587 2.567 1.00 44.31 H new ATOM 0 HA ASN A 24 -7.009 4.348 1.572 1.00 3.04 H new ATOM 0 HB2 ASN A 24 -9.302 4.017 0.407 1.00 41.53 H new ATOM 0 HB3 ASN A 24 -9.874 5.377 1.352 1.00 41.53 H new ATOM 0 HD21 ASN A 24 -6.906 6.112 -1.524 1.00 43.21 H new ATOM 0 HD22 ASN A 24 -6.819 4.673 -0.502 1.00 43.21 H new ATOM 392 N VAL A 25 -6.931 5.481 4.043 1.00 12.42 N ATOM 393 CA VAL A 25 -6.609 6.430 5.095 1.00 31.04 C ATOM 394 C VAL A 25 -5.103 6.609 5.131 1.00 63.43 C ATOM 395 O VAL A 25 -4.378 5.757 4.619 1.00 4.54 O ATOM 396 CB VAL A 25 -7.151 6.001 6.461 1.00 74.41 C ATOM 397 CG1 VAL A 25 -8.691 5.979 6.417 1.00 22.31 C ATOM 398 CG2 VAL A 25 -6.593 4.623 6.868 1.00 2.41 C ATOM 0 H VAL A 25 -6.527 4.558 4.205 1.00 12.42 H new ATOM 0 HA VAL A 25 -7.095 7.380 4.871 1.00 31.04 H new ATOM 0 HB VAL A 25 -6.826 6.720 7.213 1.00 74.41 H new ATOM 0 HG11 VAL A 25 -9.078 5.674 7.389 1.00 22.31 H new ATOM 0 HG12 VAL A 25 -9.062 6.975 6.175 1.00 22.31 H new ATOM 0 HG13 VAL A 25 -9.023 5.273 5.656 1.00 22.31 H new ATOM 0 HG21 VAL A 25 -6.993 4.342 7.842 1.00 2.41 H new ATOM 0 HG22 VAL A 25 -6.885 3.879 6.127 1.00 2.41 H new ATOM 0 HG23 VAL A 25 -5.506 4.673 6.923 1.00 2.41 H new ATOM 408 N PRO A 26 -4.550 7.693 5.665 1.00 32.22 N ATOM 409 CA PRO A 26 -3.110 7.872 5.753 1.00 12.33 C ATOM 410 C PRO A 26 -2.459 7.005 6.814 1.00 21.10 C ATOM 411 O PRO A 26 -3.111 6.465 7.708 1.00 44.30 O ATOM 412 CB PRO A 26 -2.951 9.369 6.075 1.00 2.42 C ATOM 413 CG PRO A 26 -4.227 9.720 6.836 1.00 61.23 C ATOM 414 CD PRO A 26 -5.279 8.882 6.115 1.00 50.22 C ATOM 0 HA PRO A 26 -2.612 7.570 4.831 1.00 12.33 H new ATOM 0 HB2 PRO A 26 -2.062 9.555 6.678 1.00 2.42 H new ATOM 0 HB3 PRO A 26 -2.851 9.964 5.167 1.00 2.42 H new ATOM 0 HG2 PRO A 26 -4.155 9.460 7.892 1.00 61.23 H new ATOM 0 HG3 PRO A 26 -4.451 10.786 6.784 1.00 61.23 H new ATOM 0 HD2 PRO A 26 -6.100 8.617 6.780 1.00 50.22 H new ATOM 0 HD3 PRO A 26 -5.712 9.425 5.275 1.00 50.22 H new ATOM 422 N ASP A 27 -1.113 6.918 6.729 1.00 44.05 N ATOM 423 CA ASP A 27 -0.205 6.177 7.584 1.00 63.53 C ATOM 424 C ASP A 27 -0.293 6.716 9.005 1.00 75.23 C ATOM 425 O ASP A 27 -0.150 5.992 9.985 1.00 41.12 O ATOM 426 CB ASP A 27 1.234 6.278 7.001 1.00 62.12 C ATOM 427 CG ASP A 27 2.243 5.389 7.730 1.00 33.13 C ATOM 428 OD1 ASP A 27 2.046 4.148 7.719 1.00 15.32 O ATOM 429 OD2 ASP A 27 3.223 5.954 8.280 1.00 62.33 O ATOM 0 H ASP A 27 -0.608 7.412 5.993 1.00 44.05 H new ATOM 0 HA ASP A 27 -0.479 5.122 7.619 1.00 63.53 H new ATOM 0 HB2 ASP A 27 1.212 6.003 5.947 1.00 62.12 H new ATOM 0 HB3 ASP A 27 1.568 7.314 7.053 1.00 62.12 H new ATOM 434 N ALA A 28 -0.594 8.026 9.099 1.00 11.10 N ATOM 435 CA ALA A 28 -0.816 8.791 10.295 1.00 14.12 C ATOM 436 C ALA A 28 -1.930 8.248 11.169 1.00 22.24 C ATOM 437 O ALA A 28 -1.873 8.353 12.392 1.00 10.32 O ATOM 438 CB ALA A 28 -1.155 10.238 9.910 1.00 4.20 C ATOM 0 H ALA A 28 -0.691 8.602 8.263 1.00 11.10 H new ATOM 0 HA ALA A 28 0.104 8.731 10.877 1.00 14.12 H new ATOM 0 HB1 ALA A 28 -1.325 10.824 10.813 1.00 4.20 H new ATOM 0 HB2 ALA A 28 -0.326 10.669 9.348 1.00 4.20 H new ATOM 0 HB3 ALA A 28 -2.055 10.250 9.295 1.00 4.20 H new ATOM 444 N VAL A 29 -2.996 7.663 10.583 1.00 32.14 N ATOM 445 CA VAL A 29 -4.118 7.286 11.419 1.00 60.43 C ATOM 446 C VAL A 29 -4.104 5.806 11.758 1.00 41.54 C ATOM 447 O VAL A 29 -4.610 5.413 12.806 1.00 4.01 O ATOM 448 CB VAL A 29 -5.443 7.679 10.824 1.00 34.43 C ATOM 449 CG1 VAL A 29 -5.444 9.158 10.378 1.00 20.34 C ATOM 450 CG2 VAL A 29 -6.000 6.690 9.801 1.00 44.51 C ATOM 0 H VAL A 29 -3.090 7.457 9.588 1.00 32.14 H new ATOM 0 HA VAL A 29 -3.998 7.847 12.346 1.00 60.43 H new ATOM 0 HB VAL A 29 -6.178 7.609 11.626 1.00 34.43 H new ATOM 0 HG11 VAL A 29 -6.416 9.409 9.953 1.00 20.34 H new ATOM 0 HG12 VAL A 29 -5.248 9.798 11.239 1.00 20.34 H new ATOM 0 HG13 VAL A 29 -4.669 9.312 9.627 1.00 20.34 H new ATOM 0 HG21 VAL A 29 -6.956 7.055 9.426 1.00 44.51 H new ATOM 0 HG22 VAL A 29 -5.299 6.590 8.972 1.00 44.51 H new ATOM 0 HG23 VAL A 29 -6.143 5.719 10.274 1.00 44.51 H new ATOM 460 N MET A 30 -3.465 4.936 10.934 1.00 24.34 N ATOM 461 CA MET A 30 -3.197 3.560 11.352 1.00 53.35 C ATOM 462 C MET A 30 -2.231 3.511 12.514 1.00 55.32 C ATOM 463 O MET A 30 -2.333 2.653 13.391 1.00 64.32 O ATOM 464 CB MET A 30 -2.661 2.612 10.232 1.00 54.22 C ATOM 465 CG MET A 30 -1.280 2.950 9.623 1.00 31.54 C ATOM 466 SD MET A 30 -0.458 1.590 8.730 1.00 43.13 S ATOM 467 CE MET A 30 0.064 0.665 10.199 1.00 14.41 C ATOM 0 H MET A 30 -3.136 5.169 9.997 1.00 24.34 H new ATOM 0 HA MET A 30 -4.181 3.189 11.640 1.00 53.35 H new ATOM 0 HB2 MET A 30 -2.613 1.602 10.638 1.00 54.22 H new ATOM 0 HB3 MET A 30 -3.392 2.596 9.424 1.00 54.22 H new ATOM 0 HG2 MET A 30 -1.401 3.790 8.938 1.00 31.54 H new ATOM 0 HG3 MET A 30 -0.622 3.285 10.425 1.00 31.54 H new ATOM 0 HE1 MET A 30 0.601 -0.232 9.892 1.00 14.41 H new ATOM 0 HE2 MET A 30 0.718 1.289 10.808 1.00 14.41 H new ATOM 0 HE3 MET A 30 -0.813 0.382 10.781 1.00 14.41 H new ATOM 477 N GLN A 31 -1.285 4.479 12.575 1.00 61.11 N ATOM 478 CA GLN A 31 -0.322 4.542 13.642 1.00 43.41 C ATOM 479 C GLN A 31 -0.923 5.053 14.930 1.00 20.04 C ATOM 480 O GLN A 31 -0.470 4.722 16.022 1.00 61.55 O ATOM 481 CB GLN A 31 0.980 5.285 13.214 1.00 54.40 C ATOM 482 CG GLN A 31 0.965 6.789 12.900 1.00 13.12 C ATOM 483 CD GLN A 31 1.108 7.658 14.142 1.00 24.31 C ATOM 484 OE1 GLN A 31 2.147 7.693 14.804 1.00 31.10 O ATOM 485 NE2 GLN A 31 0.004 8.374 14.456 1.00 54.55 N ATOM 0 H GLN A 31 -1.189 5.220 11.881 1.00 61.11 H new ATOM 0 HA GLN A 31 -0.014 3.519 13.859 1.00 43.41 H new ATOM 0 HB2 GLN A 31 1.711 5.132 14.008 1.00 54.40 H new ATOM 0 HB3 GLN A 31 1.361 4.777 12.328 1.00 54.40 H new ATOM 0 HG2 GLN A 31 1.775 7.018 12.208 1.00 13.12 H new ATOM 0 HG3 GLN A 31 0.033 7.039 12.394 1.00 13.12 H new ATOM 0 HE21 GLN A 31 -0.830 8.307 13.873 1.00 54.55 H new ATOM 0 HE22 GLN A 31 0.006 8.980 15.276 1.00 54.55 H new ATOM 494 N ASP A 32 -2.046 5.794 14.838 1.00 31.22 N ATOM 495 CA ASP A 32 -2.805 6.260 15.984 1.00 42.33 C ATOM 496 C ASP A 32 -3.346 5.126 16.839 1.00 5.34 C ATOM 497 O ASP A 32 -3.372 5.229 18.061 1.00 4.05 O ATOM 498 CB ASP A 32 -4.011 7.148 15.574 1.00 14.32 C ATOM 499 CG ASP A 32 -3.687 8.569 15.129 1.00 50.34 C ATOM 500 OD1 ASP A 32 -2.599 9.087 15.479 1.00 32.10 O ATOM 501 OD2 ASP A 32 -4.589 9.171 14.481 1.00 75.30 O ATOM 0 H ASP A 32 -2.445 6.082 13.945 1.00 31.22 H new ATOM 0 HA ASP A 32 -2.088 6.843 16.562 1.00 42.33 H new ATOM 0 HB2 ASP A 32 -4.542 6.649 14.763 1.00 14.32 H new ATOM 0 HB3 ASP A 32 -4.697 7.203 16.419 1.00 14.32 H new ATOM 506 N PHE A 33 -3.785 4.014 16.217 1.00 64.21 N ATOM 507 CA PHE A 33 -4.222 2.834 16.951 1.00 11.14 C ATOM 508 C PHE A 33 -3.146 2.220 17.831 1.00 24.32 C ATOM 509 O PHE A 33 -3.400 1.938 18.998 1.00 52.45 O ATOM 510 CB PHE A 33 -4.854 1.828 15.944 1.00 63.10 C ATOM 511 CG PHE A 33 -5.057 0.409 16.416 1.00 21.45 C ATOM 512 CD1 PHE A 33 -4.450 -0.639 15.700 1.00 3.25 C ATOM 513 CD2 PHE A 33 -5.776 0.101 17.578 1.00 61.24 C ATOM 514 CE1 PHE A 33 -4.607 -1.970 16.103 1.00 63.21 C ATOM 515 CE2 PHE A 33 -5.990 -1.234 17.949 1.00 61.03 C ATOM 516 CZ PHE A 33 -5.399 -2.271 17.217 1.00 53.12 C ATOM 0 H PHE A 33 -3.842 3.919 15.203 1.00 64.21 H new ATOM 0 HA PHE A 33 -4.982 3.137 17.672 1.00 11.14 H new ATOM 0 HB2 PHE A 33 -5.822 2.223 15.636 1.00 63.10 H new ATOM 0 HB3 PHE A 33 -4.224 1.801 15.055 1.00 63.10 H new ATOM 0 HD1 PHE A 33 -3.855 -0.413 14.828 1.00 3.25 H new ATOM 0 HD2 PHE A 33 -6.168 0.898 18.193 1.00 61.24 H new ATOM 0 HE1 PHE A 33 -4.118 -2.763 15.556 1.00 63.21 H new ATOM 0 HE2 PHE A 33 -6.612 -1.463 18.801 1.00 61.03 H new ATOM 0 HZ PHE A 33 -5.554 -3.299 17.511 1.00 53.12 H new ATOM 526 N PHE A 34 -1.906 2.032 17.341 1.00 34.04 N ATOM 527 CA PHE A 34 -0.868 1.493 18.205 1.00 43.11 C ATOM 528 C PHE A 34 -0.356 2.431 19.276 1.00 62.44 C ATOM 529 O PHE A 34 -0.035 2.032 20.394 1.00 42.51 O ATOM 530 CB PHE A 34 0.312 0.925 17.406 1.00 64.00 C ATOM 531 CG PHE A 34 1.269 1.810 16.669 1.00 71.32 C ATOM 532 CD1 PHE A 34 2.422 2.251 17.336 1.00 10.43 C ATOM 533 CD2 PHE A 34 1.166 1.984 15.282 1.00 40.54 C ATOM 534 CE1 PHE A 34 3.482 2.825 16.626 1.00 4.02 C ATOM 535 CE2 PHE A 34 2.256 2.498 14.560 1.00 32.50 C ATOM 536 CZ PHE A 34 3.407 2.930 15.232 1.00 20.42 C ATOM 0 H PHE A 34 -1.616 2.240 16.385 1.00 34.04 H new ATOM 0 HA PHE A 34 -1.379 0.688 18.733 1.00 43.11 H new ATOM 0 HB2 PHE A 34 0.905 0.330 18.101 1.00 64.00 H new ATOM 0 HB3 PHE A 34 -0.107 0.236 16.673 1.00 64.00 H new ATOM 0 HD1 PHE A 34 2.492 2.146 18.409 1.00 10.43 H new ATOM 0 HD2 PHE A 34 0.251 1.724 14.770 1.00 40.54 H new ATOM 0 HE1 PHE A 34 4.354 3.186 17.151 1.00 4.02 H new ATOM 0 HE2 PHE A 34 2.207 2.560 13.483 1.00 32.50 H new ATOM 0 HZ PHE A 34 4.235 3.343 14.675 1.00 20.42 H new ATOM 546 N ASN A 35 -0.341 3.730 18.952 1.00 52.12 N ATOM 547 CA ASN A 35 -0.097 4.816 19.873 1.00 62.21 C ATOM 548 C ASN A 35 -1.135 4.989 20.973 1.00 33.32 C ATOM 549 O ASN A 35 -0.876 5.693 21.944 1.00 52.02 O ATOM 550 CB ASN A 35 0.062 6.140 19.106 1.00 42.15 C ATOM 551 CG ASN A 35 1.449 6.279 18.477 1.00 4.35 C ATOM 552 OD1 ASN A 35 2.423 6.570 19.175 1.00 21.51 O ATOM 553 ND2 ASN A 35 1.531 6.123 17.139 1.00 41.21 N ATOM 0 H ASN A 35 -0.507 4.052 17.999 1.00 52.12 H new ATOM 0 HA ASN A 35 0.826 4.541 20.384 1.00 62.21 H new ATOM 0 HB2 ASN A 35 -0.697 6.199 18.326 1.00 42.15 H new ATOM 0 HB3 ASN A 35 -0.113 6.975 19.785 1.00 42.15 H new ATOM 0 HD21 ASN A 35 2.426 6.246 16.665 1.00 41.21 H new ATOM 0 HD22 ASN A 35 0.698 5.882 16.602 1.00 41.21 H new ATOM 560 N PHE A 36 -2.312 4.324 20.887 1.00 24.03 N ATOM 561 CA PHE A 36 -3.333 4.293 21.927 1.00 21.44 C ATOM 562 C PHE A 36 -2.750 3.709 23.212 1.00 43.43 C ATOM 563 O PHE A 36 -3.016 4.180 24.315 1.00 22.23 O ATOM 564 CB PHE A 36 -4.554 3.437 21.465 1.00 73.51 C ATOM 565 CG PHE A 36 -5.759 3.602 22.360 1.00 32.00 C ATOM 566 CD1 PHE A 36 -5.837 3.025 23.640 1.00 44.14 C ATOM 567 CD2 PHE A 36 -6.848 4.357 21.897 1.00 10.44 C ATOM 568 CE1 PHE A 36 -6.928 3.279 24.476 1.00 61.33 C ATOM 569 CE2 PHE A 36 -7.946 4.616 22.725 1.00 22.21 C ATOM 570 CZ PHE A 36 -7.969 4.092 24.023 1.00 34.15 C ATOM 0 H PHE A 36 -2.571 3.783 20.062 1.00 24.03 H new ATOM 0 HA PHE A 36 -3.669 5.313 22.115 1.00 21.44 H new ATOM 0 HB2 PHE A 36 -4.823 3.717 20.446 1.00 73.51 H new ATOM 0 HB3 PHE A 36 -4.266 2.386 21.441 1.00 73.51 H new ATOM 0 HD1 PHE A 36 -5.043 2.377 23.982 1.00 44.14 H new ATOM 0 HD2 PHE A 36 -6.838 4.743 20.888 1.00 10.44 H new ATOM 0 HE1 PHE A 36 -6.966 2.849 25.466 1.00 61.33 H new ATOM 0 HE2 PHE A 36 -8.769 5.215 22.365 1.00 22.21 H new ATOM 0 HZ PHE A 36 -8.797 4.318 24.678 1.00 34.15 H new ATOM 705 N THR A 44 -8.225 10.313 20.164 1.00 5.12 N ATOM 706 CA THR A 44 -9.575 10.861 20.047 1.00 4.40 C ATOM 707 C THR A 44 -10.081 10.830 18.620 1.00 5.45 C ATOM 708 O THR A 44 -11.212 11.224 18.346 1.00 52.41 O ATOM 709 CB THR A 44 -9.686 12.291 20.577 1.00 14.35 C ATOM 710 OG1 THR A 44 -8.804 13.185 19.903 1.00 60.22 O ATOM 711 CG2 THR A 44 -9.351 12.332 22.080 1.00 33.54 C ATOM 0 HA THR A 44 -10.195 10.213 20.666 1.00 4.40 H new ATOM 0 HB THR A 44 -10.714 12.609 20.400 1.00 14.35 H new ATOM 0 HG1 THR A 44 -8.004 12.699 19.613 1.00 60.22 H new ATOM 0 HG21 THR A 44 -9.434 13.356 22.443 1.00 33.54 H new ATOM 0 HG22 THR A 44 -10.048 11.696 22.626 1.00 33.54 H new ATOM 0 HG23 THR A 44 -8.334 11.973 22.236 1.00 33.54 H new ATOM 719 N ASN A 45 -9.241 10.390 17.659 1.00 62.21 N ATOM 720 CA ASN A 45 -9.456 10.588 16.247 1.00 52.43 C ATOM 721 C ASN A 45 -10.374 9.540 15.659 1.00 14.34 C ATOM 722 O ASN A 45 -10.200 8.346 15.872 1.00 3.35 O ATOM 723 CB ASN A 45 -8.085 10.619 15.523 1.00 24.21 C ATOM 724 CG ASN A 45 -8.233 11.084 14.075 1.00 51.24 C ATOM 725 OD1 ASN A 45 -9.068 11.934 13.759 1.00 73.41 O ATOM 726 ND2 ASN A 45 -7.426 10.481 13.172 1.00 43.33 N ATOM 0 H ASN A 45 -8.383 9.879 17.868 1.00 62.21 H new ATOM 0 HA ASN A 45 -9.959 11.544 16.101 1.00 52.43 H new ATOM 0 HB2 ASN A 45 -7.406 11.286 16.054 1.00 24.21 H new ATOM 0 HB3 ASN A 45 -7.637 9.625 15.544 1.00 24.21 H new ATOM 0 HD21 ASN A 45 -7.495 10.725 12.184 1.00 43.33 H new ATOM 0 HD22 ASN A 45 -6.749 9.783 13.479 1.00 43.33 H new ATOM 733 N ARG A 46 -11.350 9.984 14.838 1.00 51.23 N ATOM 734 CA ARG A 46 -12.416 9.184 14.263 1.00 63.34 C ATOM 735 C ARG A 46 -11.921 8.042 13.398 1.00 60.10 C ATOM 736 O ARG A 46 -12.486 6.952 13.389 1.00 65.32 O ATOM 737 CB ARG A 46 -13.357 10.098 13.453 1.00 30.22 C ATOM 738 CG ARG A 46 -12.696 10.770 12.238 1.00 24.41 C ATOM 739 CD ARG A 46 -13.582 11.871 11.654 1.00 73.00 C ATOM 740 NE ARG A 46 -14.754 11.227 10.976 1.00 0.25 N ATOM 741 CZ ARG A 46 -15.730 11.954 10.356 1.00 71.51 C ATOM 742 NH1 ARG A 46 -15.678 13.316 10.362 1.00 24.02 N ATOM 743 NH2 ARG A 46 -16.753 11.300 9.735 1.00 44.13 N ATOM 0 H ARG A 46 -11.405 10.962 14.553 1.00 51.23 H new ATOM 0 HA ARG A 46 -12.950 8.721 15.093 1.00 63.34 H new ATOM 0 HB2 ARG A 46 -14.208 9.510 13.110 1.00 30.22 H new ATOM 0 HB3 ARG A 46 -13.749 10.872 14.113 1.00 30.22 H new ATOM 0 HG2 ARG A 46 -11.736 11.193 12.533 1.00 24.41 H new ATOM 0 HG3 ARG A 46 -12.493 10.021 11.473 1.00 24.41 H new ATOM 0 HD2 ARG A 46 -13.922 12.542 12.443 1.00 73.00 H new ATOM 0 HD3 ARG A 46 -13.018 12.475 10.943 1.00 73.00 H new ATOM 0 HE ARG A 46 -14.825 10.209 10.978 1.00 0.25 H new ATOM 0 HH11 ARG A 46 -14.909 13.795 10.830 1.00 24.02 H new ATOM 0 HH12 ARG A 46 -16.408 13.856 9.898 1.00 24.02 H new ATOM 0 HH21 ARG A 46 -16.783 10.280 9.737 1.00 44.13 H new ATOM 0 HH22 ARG A 46 -17.489 11.830 9.268 1.00 44.13 H new ATOM 757 N GLU A 47 -10.781 8.248 12.709 1.00 22.45 N ATOM 758 CA GLU A 47 -10.058 7.225 12.003 1.00 63.02 C ATOM 759 C GLU A 47 -9.507 6.121 12.845 1.00 40.21 C ATOM 760 O GLU A 47 -9.391 5.001 12.356 1.00 34.43 O ATOM 761 CB GLU A 47 -8.918 7.818 11.170 1.00 21.10 C ATOM 762 CG GLU A 47 -9.382 8.383 9.814 1.00 2.15 C ATOM 763 CD GLU A 47 -8.526 9.493 9.215 1.00 22.31 C ATOM 764 OE1 GLU A 47 -8.320 10.517 9.919 1.00 51.34 O ATOM 765 OE2 GLU A 47 -8.089 9.334 8.046 1.00 34.11 O ATOM 0 H GLU A 47 -10.342 9.166 12.640 1.00 22.45 H new ATOM 0 HA GLU A 47 -10.820 6.776 11.366 1.00 63.02 H new ATOM 0 HB2 GLU A 47 -8.436 8.612 11.740 1.00 21.10 H new ATOM 0 HB3 GLU A 47 -8.166 7.048 10.997 1.00 21.10 H new ATOM 0 HG2 GLU A 47 -9.426 7.562 9.099 1.00 2.15 H new ATOM 0 HG3 GLU A 47 -10.398 8.760 9.930 1.00 2.15 H new ATOM 772 N ALA A 48 -9.163 6.390 14.122 1.00 25.23 N ATOM 773 CA ALA A 48 -8.659 5.329 14.989 1.00 72.54 C ATOM 774 C ALA A 48 -9.667 4.196 15.127 1.00 54.20 C ATOM 775 O ALA A 48 -9.328 3.031 14.984 1.00 71.10 O ATOM 776 CB ALA A 48 -8.296 5.828 16.412 1.00 34.00 C ATOM 0 H ALA A 48 -9.226 7.310 14.558 1.00 25.23 H new ATOM 0 HA ALA A 48 -7.751 4.972 14.503 1.00 72.54 H new ATOM 0 HB1 ALA A 48 -7.928 4.993 17.008 1.00 34.00 H new ATOM 0 HB2 ALA A 48 -7.523 6.593 16.343 1.00 34.00 H new ATOM 0 HB3 ALA A 48 -9.182 6.249 16.887 1.00 34.00 H new ATOM 782 N GLY A 49 -10.967 4.510 15.293 1.00 61.12 N ATOM 783 CA GLY A 49 -12.027 3.511 15.357 1.00 22.14 C ATOM 784 C GLY A 49 -12.191 2.751 14.087 1.00 73.31 C ATOM 785 O GLY A 49 -12.444 1.550 14.117 1.00 2.11 O ATOM 0 H GLY A 49 -11.302 5.469 15.386 1.00 61.12 H new ATOM 0 HA2 GLY A 49 -11.812 2.813 16.166 1.00 22.14 H new ATOM 0 HA3 GLY A 49 -12.968 4.003 15.603 1.00 22.14 H new ATOM 789 N CYS A 50 -12.046 3.449 12.936 1.00 32.40 N ATOM 790 CA CYS A 50 -12.188 2.880 11.614 1.00 10.01 C ATOM 791 C CYS A 50 -11.122 1.832 11.360 1.00 64.42 C ATOM 792 O CYS A 50 -11.415 0.768 10.821 1.00 63.53 O ATOM 793 CB CYS A 50 -12.112 3.964 10.506 1.00 73.40 C ATOM 794 SG CYS A 50 -13.485 5.173 10.502 1.00 4.24 S ATOM 0 H CYS A 50 -11.822 4.444 12.922 1.00 32.40 H new ATOM 0 HA CYS A 50 -13.173 2.416 11.576 1.00 10.01 H new ATOM 0 HB2 CYS A 50 -11.173 4.506 10.614 1.00 73.40 H new ATOM 0 HB3 CYS A 50 -12.084 3.468 9.536 1.00 73.40 H new ATOM 799 N VAL A 51 -9.853 2.083 11.772 1.00 63.12 N ATOM 800 CA VAL A 51 -8.827 1.048 11.729 1.00 11.11 C ATOM 801 C VAL A 51 -9.097 -0.053 12.721 1.00 5.52 C ATOM 802 O VAL A 51 -9.013 -1.222 12.379 1.00 12.30 O ATOM 803 CB VAL A 51 -7.386 1.591 11.810 1.00 51.44 C ATOM 804 CG1 VAL A 51 -7.091 2.524 12.997 1.00 14.23 C ATOM 805 CG2 VAL A 51 -6.384 0.429 11.979 1.00 33.14 C ATOM 0 H VAL A 51 -9.534 2.983 12.130 1.00 63.12 H new ATOM 0 HA VAL A 51 -8.896 0.604 10.736 1.00 11.11 H new ATOM 0 HB VAL A 51 -7.281 2.150 10.880 1.00 51.44 H new ATOM 0 HG11 VAL A 51 -6.051 2.846 12.956 1.00 14.23 H new ATOM 0 HG12 VAL A 51 -7.743 3.396 12.946 1.00 14.23 H new ATOM 0 HG13 VAL A 51 -7.270 1.992 13.931 1.00 14.23 H new ATOM 0 HG21 VAL A 51 -5.371 0.827 12.035 1.00 33.14 H new ATOM 0 HG22 VAL A 51 -6.610 -0.116 12.895 1.00 33.14 H new ATOM 0 HG23 VAL A 51 -6.462 -0.246 11.127 1.00 33.14 H new ATOM 815 N ILE A 52 -9.523 0.264 13.953 1.00 2.55 N ATOM 816 CA ILE A 52 -9.704 -0.719 15.018 1.00 4.35 C ATOM 817 C ILE A 52 -10.711 -1.793 14.664 1.00 32.32 C ATOM 818 O ILE A 52 -10.461 -2.986 14.839 1.00 42.03 O ATOM 819 CB ILE A 52 -10.090 -0.015 16.315 1.00 54.22 C ATOM 820 CG1 ILE A 52 -8.881 0.761 16.861 1.00 60.22 C ATOM 821 CG2 ILE A 52 -10.660 -1.013 17.347 1.00 11.32 C ATOM 822 CD1 ILE A 52 -9.119 1.911 17.856 1.00 4.44 C ATOM 0 H ILE A 52 -9.752 1.217 14.234 1.00 2.55 H new ATOM 0 HA ILE A 52 -8.751 -1.230 15.153 1.00 4.35 H new ATOM 0 HB ILE A 52 -10.886 0.700 16.109 1.00 54.22 H new ATOM 0 HG12 ILE A 52 -8.218 0.042 17.342 1.00 60.22 H new ATOM 0 HG13 ILE A 52 -8.341 1.171 16.008 1.00 60.22 H new ATOM 0 HG21 ILE A 52 -10.925 -0.480 18.260 1.00 11.32 H new ATOM 0 HG22 ILE A 52 -11.548 -1.494 16.936 1.00 11.32 H new ATOM 0 HG23 ILE A 52 -9.909 -1.770 17.574 1.00 11.32 H new ATOM 0 HD11 ILE A 52 -8.163 2.350 18.140 1.00 4.44 H new ATOM 0 HD12 ILE A 52 -9.744 2.673 17.389 1.00 4.44 H new ATOM 0 HD13 ILE A 52 -9.620 1.526 18.744 1.00 4.44 H new ATOM 834 N LEU A 53 -11.866 -1.393 14.107 1.00 13.21 N ATOM 835 CA LEU A 53 -12.883 -2.314 13.663 1.00 51.51 C ATOM 836 C LEU A 53 -12.488 -3.169 12.473 1.00 61.42 C ATOM 837 O LEU A 53 -12.939 -4.303 12.321 1.00 72.24 O ATOM 838 CB LEU A 53 -14.202 -1.534 13.448 1.00 41.25 C ATOM 839 CG LEU A 53 -14.260 -0.453 12.344 1.00 1.52 C ATOM 840 CD1 LEU A 53 -14.266 -1.007 10.911 1.00 20.41 C ATOM 841 CD2 LEU A 53 -15.494 0.441 12.575 1.00 1.50 C ATOM 0 H LEU A 53 -12.106 -0.413 13.959 1.00 13.21 H new ATOM 0 HA LEU A 53 -13.028 -3.055 14.450 1.00 51.51 H new ATOM 0 HB2 LEU A 53 -14.985 -2.263 13.237 1.00 41.25 H new ATOM 0 HB3 LEU A 53 -14.459 -1.054 14.393 1.00 41.25 H new ATOM 0 HG LEU A 53 -13.338 0.123 12.427 1.00 1.52 H new ATOM 0 HD11 LEU A 53 -14.308 -0.181 10.202 1.00 20.41 H new ATOM 0 HD12 LEU A 53 -13.358 -1.586 10.741 1.00 20.41 H new ATOM 0 HD13 LEU A 53 -15.136 -1.649 10.773 1.00 20.41 H new ATOM 0 HD21 LEU A 53 -15.540 1.205 11.799 1.00 1.50 H new ATOM 0 HD22 LEU A 53 -16.397 -0.168 12.538 1.00 1.50 H new ATOM 0 HD23 LEU A 53 -15.419 0.919 13.552 1.00 1.50 H new ATOM 853 N CYS A 54 -11.586 -2.634 11.625 1.00 63.54 N ATOM 854 CA CYS A 54 -10.971 -3.313 10.498 1.00 44.44 C ATOM 855 C CYS A 54 -10.152 -4.517 10.928 1.00 35.11 C ATOM 856 O CYS A 54 -10.278 -5.568 10.302 1.00 42.43 O ATOM 857 CB CYS A 54 -10.122 -2.346 9.618 1.00 53.45 C ATOM 858 SG CYS A 54 -9.350 -3.125 8.160 1.00 22.31 S ATOM 0 H CYS A 54 -11.261 -1.672 11.724 1.00 63.54 H new ATOM 0 HA CYS A 54 -11.793 -3.680 9.883 1.00 44.44 H new ATOM 0 HB2 CYS A 54 -10.759 -1.528 9.282 1.00 53.45 H new ATOM 0 HB3 CYS A 54 -9.339 -1.907 10.236 1.00 53.45 H new ATOM 863 N LEU A 55 -9.336 -4.460 12.022 1.00 61.23 N ATOM 864 CA LEU A 55 -8.613 -5.612 12.489 1.00 14.30 C ATOM 865 C LEU A 55 -9.494 -6.758 12.875 1.00 13.33 C ATOM 866 O LEU A 55 -9.189 -7.898 12.564 1.00 54.00 O ATOM 867 CB LEU A 55 -7.786 -5.152 13.667 1.00 4.43 C ATOM 868 CG LEU A 55 -6.558 -4.322 13.256 1.00 14.25 C ATOM 869 CD1 LEU A 55 -5.516 -5.216 12.590 1.00 21.33 C ATOM 870 CD2 LEU A 55 -6.693 -3.011 12.490 1.00 50.54 C ATOM 0 H LEU A 55 -9.184 -3.616 12.574 1.00 61.23 H new ATOM 0 HA LEU A 55 -7.994 -5.998 11.679 1.00 14.30 H new ATOM 0 HB2 LEU A 55 -8.412 -4.558 14.333 1.00 4.43 H new ATOM 0 HB3 LEU A 55 -7.455 -6.023 14.233 1.00 4.43 H new ATOM 0 HG LEU A 55 -6.262 -3.936 14.232 1.00 14.25 H new ATOM 0 HD11 LEU A 55 -4.652 -4.617 12.304 1.00 21.33 H new ATOM 0 HD12 LEU A 55 -5.204 -5.993 13.288 1.00 21.33 H new ATOM 0 HD13 LEU A 55 -5.947 -5.678 11.702 1.00 21.33 H new ATOM 0 HD21 LEU A 55 -5.703 -2.594 12.305 1.00 50.54 H new ATOM 0 HD22 LEU A 55 -7.193 -3.195 11.539 1.00 50.54 H new ATOM 0 HD23 LEU A 55 -7.280 -2.305 13.078 1.00 50.54 H new ATOM 882 N ALA A 56 -10.638 -6.477 13.501 1.00 62.10 N ATOM 883 CA ALA A 56 -11.557 -7.434 14.050 1.00 2.24 C ATOM 884 C ALA A 56 -12.102 -8.449 13.067 1.00 33.32 C ATOM 885 O ALA A 56 -12.307 -9.618 13.399 1.00 22.44 O ATOM 886 CB ALA A 56 -12.662 -6.605 14.696 1.00 71.13 C ATOM 0 H ALA A 56 -10.952 -5.516 13.638 1.00 62.10 H new ATOM 0 HA ALA A 56 -11.034 -8.069 14.765 1.00 2.24 H new ATOM 0 HB1 ALA A 56 -13.404 -7.270 15.138 1.00 71.13 H new ATOM 0 HB2 ALA A 56 -12.234 -5.971 15.472 1.00 71.13 H new ATOM 0 HB3 ALA A 56 -13.139 -5.981 13.940 1.00 71.13 H new ATOM 892 N LYS A 57 -12.313 -8.008 11.814 1.00 42.13 N ATOM 893 CA LYS A 57 -12.691 -8.878 10.713 1.00 33.23 C ATOM 894 C LYS A 57 -11.490 -9.537 10.025 1.00 25.02 C ATOM 895 O LYS A 57 -11.651 -10.455 9.223 1.00 53.23 O ATOM 896 CB LYS A 57 -13.503 -8.087 9.658 1.00 22.42 C ATOM 897 CG LYS A 57 -14.837 -7.543 10.202 1.00 21.44 C ATOM 898 CD LYS A 57 -15.648 -6.743 9.164 1.00 51.55 C ATOM 899 CE LYS A 57 -16.266 -7.603 8.061 1.00 22.44 C ATOM 900 NZ LYS A 57 -17.046 -6.746 7.146 1.00 23.11 N ATOM 0 H LYS A 57 -12.222 -7.028 11.547 1.00 42.13 H new ATOM 0 HA LYS A 57 -13.298 -9.672 11.148 1.00 33.23 H new ATOM 0 HB2 LYS A 57 -12.900 -7.255 9.294 1.00 22.42 H new ATOM 0 HB3 LYS A 57 -13.703 -8.733 8.803 1.00 22.42 H new ATOM 0 HG2 LYS A 57 -15.441 -8.377 10.558 1.00 21.44 H new ATOM 0 HG3 LYS A 57 -14.635 -6.905 11.063 1.00 21.44 H new ATOM 0 HD2 LYS A 57 -16.443 -6.202 9.678 1.00 51.55 H new ATOM 0 HD3 LYS A 57 -14.998 -5.996 8.707 1.00 51.55 H new ATOM 0 HE2 LYS A 57 -15.483 -8.124 7.510 1.00 22.44 H new ATOM 0 HE3 LYS A 57 -16.909 -8.366 8.498 1.00 22.44 H new ATOM 0 HZ1 LYS A 57 -17.466 -7.331 6.396 1.00 23.11 H new ATOM 0 HZ2 LYS A 57 -17.802 -6.269 7.677 1.00 23.11 H new ATOM 0 HZ3 LYS A 57 -16.420 -6.034 6.719 1.00 23.11 H new ATOM 914 N LYS A 58 -10.247 -9.097 10.322 1.00 74.14 N ATOM 915 CA LYS A 58 -9.027 -9.529 9.668 1.00 62.24 C ATOM 916 C LYS A 58 -8.067 -10.208 10.642 1.00 34.23 C ATOM 917 O LYS A 58 -6.848 -10.082 10.561 1.00 30.11 O ATOM 918 CB LYS A 58 -8.343 -8.329 8.969 1.00 52.13 C ATOM 919 CG LYS A 58 -9.132 -7.773 7.771 1.00 14.21 C ATOM 920 CD LYS A 58 -8.320 -6.727 6.987 1.00 4.23 C ATOM 921 CE LYS A 58 -9.024 -6.157 5.753 1.00 61.12 C ATOM 922 NZ LYS A 58 -9.246 -7.211 4.743 1.00 45.24 N ATOM 0 H LYS A 58 -10.078 -8.406 11.053 1.00 74.14 H new ATOM 0 HA LYS A 58 -9.297 -10.270 8.916 1.00 62.24 H new ATOM 0 HB2 LYS A 58 -8.198 -7.531 9.698 1.00 52.13 H new ATOM 0 HB3 LYS A 58 -7.353 -8.635 8.629 1.00 52.13 H new ATOM 0 HG2 LYS A 58 -9.408 -8.592 7.106 1.00 14.21 H new ATOM 0 HG3 LYS A 58 -10.060 -7.323 8.124 1.00 14.21 H new ATOM 0 HD2 LYS A 58 -8.071 -5.905 7.658 1.00 4.23 H new ATOM 0 HD3 LYS A 58 -7.379 -7.179 6.674 1.00 4.23 H new ATOM 0 HE2 LYS A 58 -9.979 -5.718 6.043 1.00 61.12 H new ATOM 0 HE3 LYS A 58 -8.423 -5.356 5.323 1.00 61.12 H new ATOM 0 HZ1 LYS A 58 -9.631 -6.785 3.876 1.00 45.24 H new ATOM 0 HZ2 LYS A 58 -8.343 -7.680 4.527 1.00 45.24 H new ATOM 0 HZ3 LYS A 58 -9.920 -7.911 5.114 1.00 45.24 H new ATOM 936 N LEU A 59 -8.609 -10.998 11.588 1.00 62.34 N ATOM 937 CA LEU A 59 -7.848 -11.715 12.618 1.00 63.40 C ATOM 938 C LEU A 59 -7.294 -12.990 12.072 1.00 15.13 C ATOM 939 O LEU A 59 -6.269 -13.513 12.474 1.00 30.33 O ATOM 940 CB LEU A 59 -8.654 -12.131 13.859 1.00 4.51 C ATOM 941 CG LEU A 59 -9.243 -10.938 14.613 1.00 52.24 C ATOM 942 CD1 LEU A 59 -10.055 -11.416 15.827 1.00 43.23 C ATOM 943 CD2 LEU A 59 -8.341 -9.728 14.854 1.00 3.31 C ATOM 0 H LEU A 59 -9.614 -11.157 11.655 1.00 62.34 H new ATOM 0 HA LEU A 59 -7.086 -10.994 12.913 1.00 63.40 H new ATOM 0 HB2 LEU A 59 -9.462 -12.797 13.555 1.00 4.51 H new ATOM 0 HB3 LEU A 59 -8.010 -12.697 14.531 1.00 4.51 H new ATOM 0 HG LEU A 59 -9.935 -10.475 13.909 1.00 52.24 H new ATOM 0 HD11 LEU A 59 -10.467 -10.554 16.352 1.00 43.23 H new ATOM 0 HD12 LEU A 59 -10.869 -12.058 15.490 1.00 43.23 H new ATOM 0 HD13 LEU A 59 -9.406 -11.975 16.501 1.00 43.23 H new ATOM 0 HD21 LEU A 59 -8.895 -8.964 15.399 1.00 3.31 H new ATOM 0 HD22 LEU A 59 -7.473 -10.032 15.438 1.00 3.31 H new ATOM 0 HD23 LEU A 59 -8.011 -9.324 13.897 1.00 3.31 H new ATOM 955 N GLU A 60 -7.996 -13.500 11.073 1.00 31.44 N ATOM 956 CA GLU A 60 -7.642 -14.665 10.284 1.00 61.24 C ATOM 957 C GLU A 60 -6.353 -14.473 9.492 1.00 11.54 C ATOM 958 O GLU A 60 -5.749 -15.425 9.007 1.00 64.12 O ATOM 959 CB GLU A 60 -8.840 -15.044 9.380 1.00 25.31 C ATOM 960 CG GLU A 60 -9.223 -14.013 8.290 1.00 70.53 C ATOM 961 CD GLU A 60 -10.602 -14.316 7.703 1.00 71.03 C ATOM 962 OE1 GLU A 60 -11.581 -14.211 8.495 1.00 14.01 O ATOM 963 OE2 GLU A 60 -10.689 -14.633 6.492 1.00 62.05 O ATOM 0 H GLU A 60 -8.880 -13.086 10.775 1.00 31.44 H new ATOM 0 HA GLU A 60 -7.433 -15.493 10.961 1.00 61.24 H new ATOM 0 HB2 GLU A 60 -8.615 -15.992 8.892 1.00 25.31 H new ATOM 0 HB3 GLU A 60 -9.710 -15.211 10.015 1.00 25.31 H new ATOM 0 HG2 GLU A 60 -9.219 -13.010 8.717 1.00 70.53 H new ATOM 0 HG3 GLU A 60 -8.476 -14.025 7.496 1.00 70.53 H new ATOM 970 N LEU A 61 -5.910 -13.201 9.368 1.00 73.22 N ATOM 971 CA LEU A 61 -4.643 -12.787 8.795 1.00 4.42 C ATOM 972 C LEU A 61 -3.485 -13.041 9.758 1.00 11.11 C ATOM 973 O LEU A 61 -2.335 -13.190 9.348 1.00 43.13 O ATOM 974 CB LEU A 61 -4.577 -11.285 8.449 1.00 22.54 C ATOM 975 CG LEU A 61 -5.614 -10.701 7.471 1.00 1.13 C ATOM 976 CD1 LEU A 61 -4.984 -9.646 6.557 1.00 30.10 C ATOM 977 CD2 LEU A 61 -6.700 -11.599 6.850 1.00 33.24 C ATOM 0 H LEU A 61 -6.467 -12.408 9.686 1.00 73.22 H new ATOM 0 HA LEU A 61 -4.561 -13.380 7.884 1.00 4.42 H new ATOM 0 HB2 LEU A 61 -4.654 -10.728 9.383 1.00 22.54 H new ATOM 0 HB3 LEU A 61 -3.587 -11.084 8.039 1.00 22.54 H new ATOM 0 HG LEU A 61 -6.311 -10.199 8.142 1.00 1.13 H new ATOM 0 HD11 LEU A 61 -5.741 -9.253 5.879 1.00 30.10 H new ATOM 0 HD12 LEU A 61 -4.582 -8.833 7.162 1.00 30.10 H new ATOM 0 HD13 LEU A 61 -4.179 -10.100 5.979 1.00 30.10 H new ATOM 0 HD21 LEU A 61 -7.331 -11.003 6.191 1.00 33.24 H new ATOM 0 HD22 LEU A 61 -6.228 -12.397 6.277 1.00 33.24 H new ATOM 0 HD23 LEU A 61 -7.310 -12.033 7.642 1.00 33.24 H new ATOM 989 N LEU A 62 -3.784 -13.030 11.076 1.00 33.43 N ATOM 990 CA LEU A 62 -2.862 -13.109 12.196 1.00 1.35 C ATOM 991 C LEU A 62 -2.238 -14.481 12.290 1.00 72.45 C ATOM 992 O LEU A 62 -2.708 -15.472 11.734 1.00 32.33 O ATOM 993 CB LEU A 62 -3.548 -12.810 13.564 1.00 33.04 C ATOM 994 CG LEU A 62 -4.189 -11.410 13.623 1.00 32.14 C ATOM 995 CD1 LEU A 62 -5.101 -11.195 14.846 1.00 65.43 C ATOM 996 CD2 LEU A 62 -3.146 -10.285 13.555 1.00 24.02 C ATOM 0 H LEU A 62 -4.751 -12.960 11.392 1.00 33.43 H new ATOM 0 HA LEU A 62 -2.104 -12.350 12.003 1.00 1.35 H new ATOM 0 HB2 LEU A 62 -4.314 -13.562 13.752 1.00 33.04 H new ATOM 0 HB3 LEU A 62 -2.810 -12.900 14.361 1.00 33.04 H new ATOM 0 HG LEU A 62 -4.818 -11.364 12.734 1.00 32.14 H new ATOM 0 HD11 LEU A 62 -5.515 -10.187 14.818 1.00 65.43 H new ATOM 0 HD12 LEU A 62 -5.913 -11.922 14.827 1.00 65.43 H new ATOM 0 HD13 LEU A 62 -4.521 -11.324 15.760 1.00 65.43 H new ATOM 0 HD21 LEU A 62 -3.649 -9.319 13.600 1.00 24.02 H new ATOM 0 HD22 LEU A 62 -2.458 -10.375 14.396 1.00 24.02 H new ATOM 0 HD23 LEU A 62 -2.589 -10.361 12.621 1.00 24.02 H new ATOM 1008 N ASP A 63 -1.100 -14.560 13.003 1.00 5.22 N ATOM 1009 CA ASP A 63 -0.350 -15.786 13.121 1.00 32.32 C ATOM 1010 C ASP A 63 -1.110 -16.816 13.953 1.00 71.54 C ATOM 1011 O ASP A 63 -1.477 -16.562 15.098 1.00 65.33 O ATOM 1012 CB ASP A 63 1.029 -15.501 13.761 1.00 74.10 C ATOM 1013 CG ASP A 63 1.888 -14.638 12.845 1.00 3.32 C ATOM 1014 OD1 ASP A 63 2.131 -15.060 11.687 1.00 74.44 O ATOM 1015 OD2 ASP A 63 2.313 -13.548 13.314 1.00 63.32 O ATOM 0 H ASP A 63 -0.691 -13.771 13.504 1.00 5.22 H new ATOM 0 HA ASP A 63 -0.206 -16.196 12.121 1.00 32.32 H new ATOM 0 HB2 ASP A 63 0.893 -14.998 14.718 1.00 74.10 H new ATOM 0 HB3 ASP A 63 1.540 -16.442 13.965 1.00 74.10 H new ATOM 1020 N GLN A 64 -1.315 -18.035 13.399 1.00 0.02 N ATOM 1021 CA GLN A 64 -2.159 -19.082 13.955 1.00 53.42 C ATOM 1022 C GLN A 64 -1.705 -19.567 15.328 1.00 65.41 C ATOM 1023 O GLN A 64 -2.505 -19.999 16.157 1.00 34.14 O ATOM 1024 CB GLN A 64 -2.282 -20.251 12.942 1.00 34.45 C ATOM 1025 CG GLN A 64 -3.204 -21.411 13.389 1.00 0.14 C ATOM 1026 CD GLN A 64 -4.653 -20.967 13.644 1.00 74.42 C ATOM 1027 OE1 GLN A 64 -5.460 -20.748 12.735 1.00 22.30 O ATOM 1028 NE2 GLN A 64 -5.006 -20.825 14.948 1.00 33.54 N ATOM 0 H GLN A 64 -0.874 -18.311 12.521 1.00 0.02 H new ATOM 0 HA GLN A 64 -3.145 -18.648 14.121 1.00 53.42 H new ATOM 0 HB2 GLN A 64 -2.654 -19.855 11.997 1.00 34.45 H new ATOM 0 HB3 GLN A 64 -1.287 -20.652 12.750 1.00 34.45 H new ATOM 0 HG2 GLN A 64 -3.198 -22.187 12.624 1.00 0.14 H new ATOM 0 HG3 GLN A 64 -2.802 -21.857 14.299 1.00 0.14 H new ATOM 0 HE21 GLN A 64 -4.325 -21.011 15.684 1.00 33.54 H new ATOM 0 HE22 GLN A 64 -5.952 -20.533 15.191 1.00 33.54 H new ATOM 1037 N ASP A 65 -0.397 -19.421 15.611 1.00 43.11 N ATOM 1038 CA ASP A 65 0.264 -19.726 16.867 1.00 13.01 C ATOM 1039 C ASP A 65 -0.338 -19.010 18.075 1.00 31.05 C ATOM 1040 O ASP A 65 -0.314 -19.561 19.170 1.00 21.32 O ATOM 1041 CB ASP A 65 1.760 -19.332 16.794 1.00 42.31 C ATOM 1042 CG ASP A 65 2.506 -20.241 15.830 1.00 53.12 C ATOM 1043 OD1 ASP A 65 2.919 -19.724 14.759 1.00 51.05 O ATOM 1044 OD2 ASP A 65 2.660 -21.447 16.146 1.00 43.24 O ATOM 0 H ASP A 65 0.257 -19.063 14.915 1.00 43.11 H new ATOM 0 HA ASP A 65 0.130 -20.799 17.007 1.00 13.01 H new ATOM 0 HB2 ASP A 65 1.853 -18.295 16.471 1.00 42.31 H new ATOM 0 HB3 ASP A 65 2.208 -19.398 17.785 1.00 42.31 H new ATOM 1049 N MET A 66 -0.883 -17.774 17.931 1.00 62.55 N ATOM 1050 CA MET A 66 -1.504 -17.098 19.064 1.00 4.43 C ATOM 1051 C MET A 66 -2.937 -17.563 19.302 1.00 62.12 C ATOM 1052 O MET A 66 -3.543 -17.203 20.310 1.00 4.22 O ATOM 1053 CB MET A 66 -1.490 -15.549 18.923 1.00 54.30 C ATOM 1054 CG MET A 66 -2.463 -14.922 17.902 1.00 13.24 C ATOM 1055 SD MET A 66 -2.445 -13.102 17.841 1.00 23.32 S ATOM 1056 CE MET A 66 -0.879 -12.902 16.948 1.00 42.33 C ATOM 0 H MET A 66 -0.898 -17.248 17.057 1.00 62.55 H new ATOM 0 HA MET A 66 -0.894 -17.373 19.924 1.00 4.43 H new ATOM 0 HB2 MET A 66 -1.705 -15.119 19.901 1.00 54.30 H new ATOM 0 HB3 MET A 66 -0.478 -15.244 18.656 1.00 54.30 H new ATOM 0 HG2 MET A 66 -2.223 -15.306 16.911 1.00 13.24 H new ATOM 0 HG3 MET A 66 -3.475 -15.253 18.136 1.00 13.24 H new ATOM 0 HE1 MET A 66 -0.194 -12.300 17.545 1.00 42.33 H new ATOM 0 HE2 MET A 66 -0.437 -13.881 16.766 1.00 42.33 H new ATOM 0 HE3 MET A 66 -1.064 -12.405 15.996 1.00 42.33 H new ATOM 1066 N ASN A 67 -3.492 -18.374 18.365 1.00 24.11 N ATOM 1067 CA ASN A 67 -4.835 -18.934 18.338 1.00 61.05 C ATOM 1068 C ASN A 67 -5.981 -17.931 18.263 1.00 64.44 C ATOM 1069 O ASN A 67 -7.091 -18.239 18.695 1.00 32.13 O ATOM 1070 CB ASN A 67 -5.080 -19.897 19.547 1.00 14.22 C ATOM 1071 CG ASN A 67 -4.110 -21.081 19.557 1.00 13.42 C ATOM 1072 OD1 ASN A 67 -3.366 -21.284 20.518 1.00 55.33 O ATOM 1073 ND2 ASN A 67 -4.138 -21.909 18.481 1.00 33.22 N ATOM 0 H ASN A 67 -2.954 -18.667 17.550 1.00 24.11 H new ATOM 0 HA ASN A 67 -4.854 -19.478 17.394 1.00 61.05 H new ATOM 0 HB2 ASN A 67 -4.978 -19.340 20.478 1.00 14.22 H new ATOM 0 HB3 ASN A 67 -6.104 -20.270 19.509 1.00 14.22 H new ATOM 0 HD21 ASN A 67 -3.531 -22.728 18.452 1.00 33.22 H new ATOM 0 HD22 ASN A 67 -4.766 -21.712 17.702 1.00 33.22 H new ATOM 1080 N LEU A 68 -5.789 -16.720 17.676 1.00 23.41 N ATOM 1081 CA LEU A 68 -6.882 -15.764 17.571 1.00 11.21 C ATOM 1082 C LEU A 68 -7.771 -16.097 16.395 1.00 24.25 C ATOM 1083 O LEU A 68 -7.322 -16.102 15.252 1.00 11.24 O ATOM 1084 CB LEU A 68 -6.384 -14.303 17.395 1.00 42.41 C ATOM 1085 CG LEU A 68 -7.316 -13.190 17.942 1.00 64.13 C ATOM 1086 CD1 LEU A 68 -7.007 -11.789 17.434 1.00 24.42 C ATOM 1087 CD2 LEU A 68 -8.777 -13.525 18.285 1.00 43.51 C ATOM 0 H LEU A 68 -4.903 -16.404 17.282 1.00 23.41 H new ATOM 0 HA LEU A 68 -7.434 -15.837 18.508 1.00 11.21 H new ATOM 0 HB2 LEU A 68 -5.415 -14.210 17.886 1.00 42.41 H new ATOM 0 HB3 LEU A 68 -6.222 -14.122 16.332 1.00 42.41 H new ATOM 0 HG LEU A 68 -6.988 -13.157 18.981 1.00 64.13 H new ATOM 0 HD11 LEU A 68 -7.710 -11.080 17.871 1.00 24.42 H new ATOM 0 HD12 LEU A 68 -5.991 -11.515 17.719 1.00 24.42 H new ATOM 0 HD13 LEU A 68 -7.098 -11.767 16.348 1.00 24.42 H new ATOM 0 HD21 LEU A 68 -9.279 -12.630 18.653 1.00 43.51 H new ATOM 0 HD22 LEU A 68 -9.287 -13.886 17.392 1.00 43.51 H new ATOM 0 HD23 LEU A 68 -8.802 -14.297 19.054 1.00 43.51 H new ATOM 1099 N HIS A 69 -9.074 -16.339 16.649 1.00 54.11 N ATOM 1100 CA HIS A 69 -10.046 -16.425 15.591 1.00 50.42 C ATOM 1101 C HIS A 69 -11.227 -15.650 16.083 1.00 62.33 C ATOM 1102 O HIS A 69 -11.353 -15.381 17.278 1.00 23.33 O ATOM 1103 CB HIS A 69 -10.519 -17.873 15.257 1.00 23.11 C ATOM 1104 CG HIS A 69 -9.479 -18.826 14.715 1.00 4.30 C ATOM 1105 ND1 HIS A 69 -9.709 -20.175 14.715 1.00 41.31 N ATOM 1106 CD2 HIS A 69 -8.311 -18.633 14.058 1.00 45.53 C ATOM 1107 CE1 HIS A 69 -8.714 -20.780 14.092 1.00 62.42 C ATOM 1108 NE2 HIS A 69 -7.852 -19.869 13.683 1.00 32.33 N ATOM 0 H HIS A 69 -9.456 -16.475 17.585 1.00 54.11 H new ATOM 0 HA HIS A 69 -9.595 -16.046 14.674 1.00 50.42 H new ATOM 0 HB2 HIS A 69 -10.939 -18.310 16.163 1.00 23.11 H new ATOM 0 HB3 HIS A 69 -11.329 -17.806 14.530 1.00 23.11 H new ATOM 0 HD2 HIS A 69 -7.832 -17.685 13.866 1.00 45.53 H new ATOM 0 HE1 HIS A 69 -8.621 -21.846 13.942 1.00 62.42 H new ATOM 0 HE2 HIS A 69 -6.988 -20.054 13.173 1.00 32.33 H new ATOM 1117 N HIS A 70 -12.114 -15.239 15.155 1.00 5.24 N ATOM 1118 CA HIS A 70 -13.220 -14.356 15.449 1.00 71.05 C ATOM 1119 C HIS A 70 -14.208 -15.115 16.333 1.00 72.12 C ATOM 1120 O HIS A 70 -14.385 -16.325 16.196 1.00 45.42 O ATOM 1121 CB HIS A 70 -14.000 -13.969 14.180 1.00 4.43 C ATOM 1122 CG HIS A 70 -13.158 -13.514 13.015 1.00 63.24 C ATOM 1123 ND1 HIS A 70 -12.492 -12.325 12.869 1.00 64.34 N ATOM 1124 CD2 HIS A 70 -12.939 -14.222 11.882 1.00 71.55 C ATOM 1125 CE1 HIS A 70 -11.893 -12.322 11.688 1.00 40.43 C ATOM 1126 NE2 HIS A 70 -12.155 -13.456 11.069 1.00 30.24 N ATOM 0 H HIS A 70 -12.067 -15.523 14.176 1.00 5.24 H new ATOM 0 HA HIS A 70 -12.814 -13.460 15.919 1.00 71.05 H new ATOM 0 HB2 HIS A 70 -14.594 -14.827 13.864 1.00 4.43 H new ATOM 0 HB3 HIS A 70 -14.700 -13.173 14.433 1.00 4.43 H new ATOM 0 HD1 HIS A 70 -12.463 -11.570 13.554 1.00 64.34 H new ATOM 0 HD2 HIS A 70 -13.315 -15.210 11.662 1.00 71.55 H new ATOM 0 HE1 HIS A 70 -11.287 -11.519 11.295 1.00 40.43 H new ATOM 0 HE2 HIS A 70 -11.827 -13.717 10.139 1.00 30.24 H new ATOM 1135 N GLY A 71 -14.878 -14.432 17.274 1.00 71.35 N ATOM 1136 CA GLY A 71 -15.948 -15.031 18.066 1.00 11.42 C ATOM 1137 C GLY A 71 -15.490 -15.789 19.286 1.00 54.33 C ATOM 1138 O GLY A 71 -16.016 -15.594 20.380 1.00 4.44 O ATOM 0 H GLY A 71 -14.690 -13.456 17.502 1.00 71.35 H new ATOM 0 HA2 GLY A 71 -16.631 -14.242 18.382 1.00 11.42 H new ATOM 0 HA3 GLY A 71 -16.516 -15.708 17.428 1.00 11.42 H new ATOM 1142 N LYS A 72 -14.485 -16.682 19.148 1.00 1.40 N ATOM 1143 CA LYS A 72 -14.074 -17.650 20.145 1.00 24.43 C ATOM 1144 C LYS A 72 -13.058 -17.017 21.069 1.00 41.24 C ATOM 1145 O LYS A 72 -12.009 -17.577 21.393 1.00 55.01 O ATOM 1146 CB LYS A 72 -13.475 -18.953 19.536 1.00 54.31 C ATOM 1147 CG LYS A 72 -14.469 -19.880 18.802 1.00 34.54 C ATOM 1148 CD LYS A 72 -14.916 -19.416 17.405 1.00 14.34 C ATOM 1149 CE LYS A 72 -15.899 -20.364 16.714 1.00 22.44 C ATOM 1150 NZ LYS A 72 -15.242 -21.639 16.366 1.00 54.22 N ATOM 0 H LYS A 72 -13.925 -16.736 18.297 1.00 1.40 H new ATOM 0 HA LYS A 72 -14.973 -17.941 20.689 1.00 24.43 H new ATOM 0 HB2 LYS A 72 -12.686 -18.674 18.837 1.00 54.31 H new ATOM 0 HB3 LYS A 72 -13.004 -19.521 20.338 1.00 54.31 H new ATOM 0 HG2 LYS A 72 -14.014 -20.866 18.708 1.00 34.54 H new ATOM 0 HG3 LYS A 72 -15.355 -19.996 19.426 1.00 34.54 H new ATOM 0 HD2 LYS A 72 -15.377 -18.432 17.492 1.00 14.34 H new ATOM 0 HD3 LYS A 72 -14.035 -19.301 16.774 1.00 14.34 H new ATOM 0 HE2 LYS A 72 -16.749 -20.555 17.369 1.00 22.44 H new ATOM 0 HE3 LYS A 72 -16.291 -19.894 15.812 1.00 22.44 H new ATOM 0 HZ1 LYS A 72 -15.902 -22.233 15.824 1.00 54.22 H new ATOM 0 HZ2 LYS A 72 -14.396 -21.448 15.792 1.00 54.22 H new ATOM 0 HZ3 LYS A 72 -14.965 -22.136 17.237 1.00 54.22 H new ATOM 1164 N ALA A 73 -13.421 -15.823 21.581 1.00 61.12 N ATOM 1165 CA ALA A 73 -12.673 -15.046 22.531 1.00 4.11 C ATOM 1166 C ALA A 73 -12.476 -15.786 23.803 1.00 13.11 C ATOM 1167 O ALA A 73 -11.383 -15.770 24.341 1.00 41.43 O ATOM 1168 CB ALA A 73 -13.401 -13.753 22.884 1.00 45.14 C ATOM 0 H ALA A 73 -14.295 -15.370 21.314 1.00 61.12 H new ATOM 0 HA ALA A 73 -11.714 -14.834 22.058 1.00 4.11 H new ATOM 0 HB1 ALA A 73 -12.810 -13.188 23.604 1.00 45.14 H new ATOM 0 HB2 ALA A 73 -13.542 -13.157 21.982 1.00 45.14 H new ATOM 0 HB3 ALA A 73 -14.373 -13.989 23.318 1.00 45.14 H new ATOM 1174 N MET A 74 -13.514 -16.485 24.293 1.00 53.42 N ATOM 1175 CA MET A 74 -13.430 -17.157 25.579 1.00 44.23 C ATOM 1176 C MET A 74 -12.333 -18.219 25.599 1.00 33.30 C ATOM 1177 O MET A 74 -11.571 -18.324 26.557 1.00 22.44 O ATOM 1178 CB MET A 74 -14.782 -17.806 25.967 1.00 32.31 C ATOM 1179 CG MET A 74 -15.882 -16.767 26.264 1.00 5.30 C ATOM 1180 SD MET A 74 -17.480 -17.480 26.765 1.00 72.23 S ATOM 1181 CE MET A 74 -17.982 -18.068 25.121 1.00 2.43 C ATOM 0 H MET A 74 -14.409 -16.593 23.815 1.00 53.42 H new ATOM 0 HA MET A 74 -13.180 -16.389 26.311 1.00 44.23 H new ATOM 0 HB2 MET A 74 -15.113 -18.457 25.157 1.00 32.31 H new ATOM 0 HB3 MET A 74 -14.638 -18.437 26.844 1.00 32.31 H new ATOM 0 HG2 MET A 74 -15.532 -16.102 27.053 1.00 5.30 H new ATOM 0 HG3 MET A 74 -16.035 -16.154 25.375 1.00 5.30 H new ATOM 0 HE1 MET A 74 -18.917 -17.588 24.833 1.00 2.43 H new ATOM 0 HE2 MET A 74 -17.208 -17.821 24.394 1.00 2.43 H new ATOM 0 HE3 MET A 74 -18.122 -19.149 25.148 1.00 2.43 H new ATOM 1191 N GLU A 75 -12.208 -18.997 24.501 1.00 2.12 N ATOM 1192 CA GLU A 75 -11.156 -19.990 24.326 1.00 24.22 C ATOM 1193 C GLU A 75 -9.775 -19.381 24.117 1.00 2.42 C ATOM 1194 O GLU A 75 -8.803 -19.782 24.752 1.00 15.31 O ATOM 1195 CB GLU A 75 -11.480 -20.918 23.126 1.00 42.11 C ATOM 1196 CG GLU A 75 -12.718 -21.817 23.372 1.00 3.40 C ATOM 1197 CD GLU A 75 -13.035 -22.708 22.170 1.00 22.43 C ATOM 1198 OE1 GLU A 75 -12.202 -23.596 21.855 1.00 55.31 O ATOM 1199 OE2 GLU A 75 -14.120 -22.504 21.565 1.00 31.14 O ATOM 0 H GLU A 75 -12.849 -18.943 23.709 1.00 2.12 H new ATOM 0 HA GLU A 75 -11.127 -20.558 25.256 1.00 24.22 H new ATOM 0 HB2 GLU A 75 -11.651 -20.309 22.239 1.00 42.11 H new ATOM 0 HB3 GLU A 75 -10.616 -21.549 22.918 1.00 42.11 H new ATOM 0 HG2 GLU A 75 -12.543 -22.441 24.248 1.00 3.40 H new ATOM 0 HG3 GLU A 75 -13.581 -21.190 23.595 1.00 3.40 H new ATOM 1206 N PHE A 76 -9.685 -18.350 23.247 1.00 2.40 N ATOM 1207 CA PHE A 76 -8.495 -17.570 22.952 1.00 52.52 C ATOM 1208 C PHE A 76 -7.942 -16.853 24.166 1.00 30.13 C ATOM 1209 O PHE A 76 -6.754 -16.928 24.464 1.00 44.44 O ATOM 1210 CB PHE A 76 -8.847 -16.561 21.817 1.00 44.55 C ATOM 1211 CG PHE A 76 -7.791 -15.513 21.574 1.00 55.41 C ATOM 1212 CD1 PHE A 76 -6.558 -15.801 20.979 1.00 0.32 C ATOM 1213 CD2 PHE A 76 -8.028 -14.213 22.048 1.00 34.04 C ATOM 1214 CE1 PHE A 76 -5.610 -14.786 20.783 1.00 12.43 C ATOM 1215 CE2 PHE A 76 -7.045 -13.231 21.940 1.00 5.13 C ATOM 1216 CZ PHE A 76 -5.849 -13.500 21.273 1.00 65.33 C ATOM 0 H PHE A 76 -10.493 -18.035 22.710 1.00 2.40 H new ATOM 0 HA PHE A 76 -7.705 -18.249 22.631 1.00 52.52 H new ATOM 0 HB2 PHE A 76 -9.014 -17.114 20.893 1.00 44.55 H new ATOM 0 HB3 PHE A 76 -9.785 -16.065 22.065 1.00 44.55 H new ATOM 0 HD1 PHE A 76 -6.335 -16.811 20.669 1.00 0.32 H new ATOM 0 HD2 PHE A 76 -8.979 -13.972 22.500 1.00 34.04 H new ATOM 0 HE1 PHE A 76 -4.694 -14.999 20.252 1.00 12.43 H new ATOM 0 HE2 PHE A 76 -7.210 -12.256 22.375 1.00 5.13 H new ATOM 0 HZ PHE A 76 -5.114 -12.720 21.137 1.00 65.33 H new ATOM 1226 N ALA A 77 -8.807 -16.160 24.921 1.00 24.10 N ATOM 1227 CA ALA A 77 -8.433 -15.373 26.062 1.00 52.04 C ATOM 1228 C ALA A 77 -7.775 -16.195 27.159 1.00 61.54 C ATOM 1229 O ALA A 77 -6.766 -15.787 27.734 1.00 12.33 O ATOM 1230 CB ALA A 77 -9.706 -14.688 26.543 1.00 13.04 C ATOM 0 H ALA A 77 -9.809 -16.144 24.733 1.00 24.10 H new ATOM 0 HA ALA A 77 -7.674 -14.642 25.785 1.00 52.04 H new ATOM 0 HB1 ALA A 77 -9.481 -14.072 27.414 1.00 13.04 H new ATOM 0 HB2 ALA A 77 -10.104 -14.059 25.747 1.00 13.04 H new ATOM 0 HB3 ALA A 77 -10.445 -15.442 26.813 1.00 13.04 H new ATOM 1236 N MET A 78 -8.309 -17.413 27.425 1.00 34.54 N ATOM 1237 CA MET A 78 -7.714 -18.370 28.341 1.00 10.33 C ATOM 1238 C MET A 78 -6.340 -18.868 27.915 1.00 52.35 C ATOM 1239 O MET A 78 -5.458 -19.037 28.755 1.00 2.55 O ATOM 1240 CB MET A 78 -8.665 -19.558 28.636 1.00 12.24 C ATOM 1241 CG MET A 78 -9.878 -19.147 29.504 1.00 21.42 C ATOM 1242 SD MET A 78 -10.928 -20.547 30.023 1.00 54.43 S ATOM 1243 CE MET A 78 -11.611 -21.060 28.421 1.00 15.54 C ATOM 0 H MET A 78 -9.173 -17.745 26.997 1.00 34.54 H new ATOM 0 HA MET A 78 -7.559 -17.813 29.265 1.00 10.33 H new ATOM 0 HB2 MET A 78 -9.021 -19.976 27.694 1.00 12.24 H new ATOM 0 HB3 MET A 78 -8.109 -20.346 29.144 1.00 12.24 H new ATOM 0 HG2 MET A 78 -9.517 -18.628 30.392 1.00 21.42 H new ATOM 0 HG3 MET A 78 -10.487 -18.437 28.945 1.00 21.42 H new ATOM 0 HE1 MET A 78 -12.249 -21.932 28.560 1.00 15.54 H new ATOM 0 HE2 MET A 78 -12.198 -20.245 27.998 1.00 15.54 H new ATOM 0 HE3 MET A 78 -10.796 -21.311 27.742 1.00 15.54 H new ATOM 1253 N LYS A 79 -6.085 -19.060 26.595 1.00 44.22 N ATOM 1254 CA LYS A 79 -4.759 -19.403 26.077 1.00 73.34 C ATOM 1255 C LYS A 79 -3.719 -18.316 26.374 1.00 2.12 C ATOM 1256 O LYS A 79 -2.530 -18.595 26.514 1.00 22.44 O ATOM 1257 CB LYS A 79 -4.780 -19.639 24.541 1.00 3.02 C ATOM 1258 CG LYS A 79 -5.568 -20.881 24.085 1.00 54.41 C ATOM 1259 CD LYS A 79 -4.877 -22.217 24.407 1.00 64.03 C ATOM 1260 CE LYS A 79 -5.702 -23.427 23.968 1.00 34.33 C ATOM 1261 NZ LYS A 79 -4.955 -24.668 24.251 1.00 31.13 N ATOM 0 H LYS A 79 -6.799 -18.979 25.871 1.00 44.22 H new ATOM 0 HA LYS A 79 -4.479 -20.323 26.590 1.00 73.34 H new ATOM 0 HB2 LYS A 79 -5.207 -18.759 24.059 1.00 3.02 H new ATOM 0 HB3 LYS A 79 -3.753 -19.729 24.188 1.00 3.02 H new ATOM 0 HG2 LYS A 79 -6.550 -20.869 24.558 1.00 54.41 H new ATOM 0 HG3 LYS A 79 -5.732 -20.819 23.009 1.00 54.41 H new ATOM 0 HD2 LYS A 79 -3.905 -22.247 23.915 1.00 64.03 H new ATOM 0 HD3 LYS A 79 -4.693 -22.277 25.480 1.00 64.03 H new ATOM 0 HE2 LYS A 79 -6.657 -23.438 24.494 1.00 34.33 H new ATOM 0 HE3 LYS A 79 -5.925 -23.360 22.903 1.00 34.33 H new ATOM 0 HZ1 LYS A 79 -5.519 -25.489 23.951 1.00 31.13 H new ATOM 0 HZ2 LYS A 79 -4.055 -24.658 23.730 1.00 31.13 H new ATOM 0 HZ3 LYS A 79 -4.764 -24.733 25.271 1.00 31.13 H new ATOM 1275 N HIS A 80 -4.168 -17.049 26.506 1.00 52.52 N ATOM 1276 CA HIS A 80 -3.354 -15.885 26.801 1.00 24.53 C ATOM 1277 C HIS A 80 -3.289 -15.514 28.265 1.00 32.40 C ATOM 1278 O HIS A 80 -2.799 -14.443 28.619 1.00 54.05 O ATOM 1279 CB HIS A 80 -3.832 -14.693 25.956 1.00 53.12 C ATOM 1280 CG HIS A 80 -3.441 -14.905 24.519 1.00 41.43 C ATOM 1281 ND1 HIS A 80 -2.149 -14.711 24.108 1.00 70.34 N ATOM 1282 CD2 HIS A 80 -4.072 -15.560 23.522 1.00 54.04 C ATOM 1283 CE1 HIS A 80 -2.002 -15.234 22.904 1.00 60.02 C ATOM 1284 NE2 HIS A 80 -3.151 -15.763 22.531 1.00 50.52 N ATOM 0 H HIS A 80 -5.156 -16.816 26.402 1.00 52.52 H new ATOM 0 HA HIS A 80 -2.332 -16.154 26.535 1.00 24.53 H new ATOM 0 HB2 HIS A 80 -4.914 -14.587 26.037 1.00 53.12 H new ATOM 0 HB3 HIS A 80 -3.392 -13.769 26.331 1.00 53.12 H new ATOM 0 HD2 HIS A 80 -5.108 -15.866 23.509 1.00 54.04 H new ATOM 0 HE1 HIS A 80 -1.092 -15.229 22.322 1.00 60.02 H new ATOM 0 HE2 HIS A 80 -3.324 -16.244 21.649 1.00 50.52 H new ATOM 1293 N GLY A 81 -3.730 -16.411 29.173 1.00 15.45 N ATOM 1294 CA GLY A 81 -3.469 -16.255 30.597 1.00 41.21 C ATOM 1295 C GLY A 81 -4.580 -15.604 31.358 1.00 71.03 C ATOM 1296 O GLY A 81 -4.491 -15.453 32.573 1.00 61.45 O ATOM 0 H GLY A 81 -4.266 -17.245 28.933 1.00 15.45 H new ATOM 0 HA2 GLY A 81 -3.275 -17.237 31.029 1.00 41.21 H new ATOM 0 HA3 GLY A 81 -2.561 -15.665 30.726 1.00 41.21 H new ATOM 1300 N ALA A 82 -5.689 -15.231 30.684 1.00 3.42 N ATOM 1301 CA ALA A 82 -6.921 -14.927 31.392 1.00 32.41 C ATOM 1302 C ALA A 82 -7.503 -16.182 32.057 1.00 45.14 C ATOM 1303 O ALA A 82 -7.471 -17.275 31.500 1.00 74.52 O ATOM 1304 CB ALA A 82 -7.977 -14.333 30.436 1.00 21.43 C ATOM 0 H ALA A 82 -5.743 -15.138 29.670 1.00 3.42 H new ATOM 0 HA ALA A 82 -6.675 -14.194 32.161 1.00 32.41 H new ATOM 0 HB1 ALA A 82 -8.889 -14.115 30.992 1.00 21.43 H new ATOM 0 HB2 ALA A 82 -7.592 -13.414 29.995 1.00 21.43 H new ATOM 0 HB3 ALA A 82 -8.197 -15.051 29.646 1.00 21.43 H new ATOM 1310 N ASP A 83 -8.070 -16.075 33.282 1.00 32.14 N ATOM 1311 CA ASP A 83 -8.835 -17.176 33.850 1.00 74.13 C ATOM 1312 C ASP A 83 -10.239 -17.130 33.262 1.00 3.33 C ATOM 1313 O ASP A 83 -10.619 -16.160 32.610 1.00 73.05 O ATOM 1314 CB ASP A 83 -8.928 -17.110 35.394 1.00 63.23 C ATOM 1315 CG ASP A 83 -7.539 -17.206 36.017 1.00 44.04 C ATOM 1316 OD1 ASP A 83 -7.132 -16.215 36.675 1.00 11.41 O ATOM 1317 OD2 ASP A 83 -6.903 -18.279 35.866 1.00 31.43 O ATOM 0 H ASP A 83 -8.006 -15.248 33.875 1.00 32.14 H new ATOM 0 HA ASP A 83 -8.323 -18.106 33.602 1.00 74.13 H new ATOM 0 HB2 ASP A 83 -9.405 -16.178 35.696 1.00 63.23 H new ATOM 0 HB3 ASP A 83 -9.555 -17.922 35.762 1.00 63.23 H new ATOM 1322 N GLU A 84 -11.066 -18.175 33.486 1.00 21.32 N ATOM 1323 CA GLU A 84 -12.378 -18.287 32.853 1.00 5.40 C ATOM 1324 C GLU A 84 -13.336 -17.188 33.287 1.00 44.23 C ATOM 1325 O GLU A 84 -14.124 -16.668 32.501 1.00 44.50 O ATOM 1326 CB GLU A 84 -13.008 -19.693 33.076 1.00 31.03 C ATOM 1327 CG GLU A 84 -13.347 -20.062 34.539 1.00 11.13 C ATOM 1328 CD GLU A 84 -13.910 -21.480 34.666 1.00 22.54 C ATOM 1329 OE1 GLU A 84 -15.000 -21.737 34.095 1.00 53.32 O ATOM 1330 OE2 GLU A 84 -13.250 -22.306 35.348 1.00 13.43 O ATOM 0 H GLU A 84 -10.837 -18.952 34.106 1.00 21.32 H new ATOM 0 HA GLU A 84 -12.209 -18.158 31.784 1.00 5.40 H new ATOM 0 HB2 GLU A 84 -13.922 -19.757 32.485 1.00 31.03 H new ATOM 0 HB3 GLU A 84 -12.321 -20.443 32.683 1.00 31.03 H new ATOM 0 HG2 GLU A 84 -12.449 -19.974 35.151 1.00 11.13 H new ATOM 0 HG3 GLU A 84 -14.072 -19.349 34.932 1.00 11.13 H new ATOM 1337 N ALA A 85 -13.214 -16.782 34.567 1.00 72.01 N ATOM 1338 CA ALA A 85 -13.896 -15.670 35.187 1.00 63.21 C ATOM 1339 C ALA A 85 -13.477 -14.332 34.597 1.00 33.44 C ATOM 1340 O ALA A 85 -14.292 -13.457 34.312 1.00 33.43 O ATOM 1341 CB ALA A 85 -13.605 -15.700 36.699 1.00 42.41 C ATOM 0 H ALA A 85 -12.595 -17.263 35.220 1.00 72.01 H new ATOM 0 HA ALA A 85 -14.965 -15.773 34.999 1.00 63.21 H new ATOM 0 HB1 ALA A 85 -14.113 -14.866 37.184 1.00 42.41 H new ATOM 0 HB2 ALA A 85 -13.965 -16.639 37.120 1.00 42.41 H new ATOM 0 HB3 ALA A 85 -12.531 -15.616 36.865 1.00 42.41 H new ATOM 1347 N MET A 86 -12.157 -14.151 34.389 1.00 34.23 N ATOM 1348 CA MET A 86 -11.580 -12.945 33.848 1.00 12.40 C ATOM 1349 C MET A 86 -11.866 -12.781 32.368 1.00 74.43 C ATOM 1350 O MET A 86 -12.071 -11.673 31.878 1.00 44.22 O ATOM 1351 CB MET A 86 -10.060 -12.897 34.084 1.00 64.01 C ATOM 1352 CG MET A 86 -9.648 -12.931 35.572 1.00 60.11 C ATOM 1353 SD MET A 86 -10.471 -11.730 36.655 1.00 2.22 S ATOM 1354 CE MET A 86 -9.420 -12.085 38.091 1.00 50.11 C ATOM 0 H MET A 86 -11.463 -14.867 34.604 1.00 34.23 H new ATOM 0 HA MET A 86 -12.053 -12.119 34.379 1.00 12.40 H new ATOM 0 HB2 MET A 86 -9.597 -13.740 33.571 1.00 64.01 H new ATOM 0 HB3 MET A 86 -9.662 -11.990 33.629 1.00 64.01 H new ATOM 0 HG2 MET A 86 -9.842 -13.931 35.959 1.00 60.11 H new ATOM 0 HG3 MET A 86 -8.572 -12.768 35.634 1.00 60.11 H new ATOM 0 HE1 MET A 86 -9.725 -11.458 38.929 1.00 50.11 H new ATOM 0 HE2 MET A 86 -9.523 -13.134 38.367 1.00 50.11 H new ATOM 0 HE3 MET A 86 -8.380 -11.876 37.841 1.00 50.11 H new ATOM 1364 N ALA A 87 -11.884 -13.899 31.614 1.00 3.44 N ATOM 1365 CA ALA A 87 -12.228 -13.918 30.209 1.00 15.53 C ATOM 1366 C ALA A 87 -13.647 -13.425 29.927 1.00 61.45 C ATOM 1367 O ALA A 87 -13.877 -12.559 29.084 1.00 2.20 O ATOM 1368 CB ALA A 87 -12.068 -15.360 29.685 1.00 5.44 C ATOM 0 H ALA A 87 -11.654 -14.820 31.986 1.00 3.44 H new ATOM 0 HA ALA A 87 -11.555 -13.231 29.696 1.00 15.53 H new ATOM 0 HB1 ALA A 87 -12.324 -15.393 28.626 1.00 5.44 H new ATOM 0 HB2 ALA A 87 -11.036 -15.684 29.819 1.00 5.44 H new ATOM 0 HB3 ALA A 87 -12.731 -16.024 30.239 1.00 5.44 H new ATOM 1374 N LYS A 88 -14.641 -13.920 30.698 1.00 50.25 N ATOM 1375 CA LYS A 88 -16.020 -13.465 30.601 1.00 54.55 C ATOM 1376 C LYS A 88 -16.196 -12.041 31.096 1.00 12.41 C ATOM 1377 O LYS A 88 -17.045 -11.306 30.599 1.00 63.33 O ATOM 1378 CB LYS A 88 -17.031 -14.411 31.309 1.00 14.12 C ATOM 1379 CG LYS A 88 -16.901 -14.539 32.835 1.00 15.40 C ATOM 1380 CD LYS A 88 -17.963 -15.459 33.462 1.00 4.32 C ATOM 1381 CE LYS A 88 -19.350 -14.819 33.524 1.00 71.10 C ATOM 1382 NZ LYS A 88 -20.319 -15.783 34.080 1.00 11.30 N ATOM 0 H LYS A 88 -14.496 -14.645 31.400 1.00 50.25 H new ATOM 0 HA LYS A 88 -16.248 -13.487 29.535 1.00 54.55 H new ATOM 0 HB2 LYS A 88 -18.039 -14.065 31.081 1.00 14.12 H new ATOM 0 HB3 LYS A 88 -16.930 -15.405 30.874 1.00 14.12 H new ATOM 0 HG2 LYS A 88 -15.910 -14.922 33.077 1.00 15.40 H new ATOM 0 HG3 LYS A 88 -16.978 -13.549 33.283 1.00 15.40 H new ATOM 0 HD2 LYS A 88 -18.021 -16.382 32.886 1.00 4.32 H new ATOM 0 HD3 LYS A 88 -17.650 -15.731 34.470 1.00 4.32 H new ATOM 0 HE2 LYS A 88 -19.320 -13.922 34.142 1.00 71.10 H new ATOM 0 HE3 LYS A 88 -19.663 -14.509 32.527 1.00 71.10 H new ATOM 0 HZ1 LYS A 88 -21.261 -15.344 34.121 1.00 11.30 H new ATOM 0 HZ2 LYS A 88 -20.356 -16.627 33.473 1.00 11.30 H new ATOM 0 HZ3 LYS A 88 -20.024 -16.058 35.038 1.00 11.30 H new ATOM 1396 N GLN A 89 -15.345 -11.589 32.045 1.00 33.10 N ATOM 1397 CA GLN A 89 -15.259 -10.210 32.466 1.00 31.04 C ATOM 1398 C GLN A 89 -14.875 -9.231 31.375 1.00 42.21 C ATOM 1399 O GLN A 89 -15.499 -8.176 31.292 1.00 43.12 O ATOM 1400 CB GLN A 89 -14.327 -10.041 33.692 1.00 51.35 C ATOM 1401 CG GLN A 89 -14.156 -8.569 34.131 1.00 62.53 C ATOM 1402 CD GLN A 89 -13.556 -8.419 35.527 1.00 14.12 C ATOM 1403 OE1 GLN A 89 -14.129 -7.776 36.409 1.00 54.02 O ATOM 1404 NE2 GLN A 89 -12.363 -9.025 35.737 1.00 35.40 N ATOM 0 H GLN A 89 -14.694 -12.201 32.537 1.00 33.10 H new ATOM 0 HA GLN A 89 -16.280 -9.954 32.749 1.00 31.04 H new ATOM 0 HB2 GLN A 89 -14.727 -10.618 34.526 1.00 51.35 H new ATOM 0 HB3 GLN A 89 -13.348 -10.459 33.456 1.00 51.35 H new ATOM 0 HG2 GLN A 89 -13.518 -8.055 33.412 1.00 62.53 H new ATOM 0 HG3 GLN A 89 -15.127 -8.075 34.106 1.00 62.53 H new ATOM 0 HE21 GLN A 89 -11.918 -9.549 34.984 1.00 35.40 H new ATOM 0 HE22 GLN A 89 -11.910 -8.957 36.648 1.00 35.40 H new ATOM 1413 N LEU A 90 -13.903 -9.515 30.471 1.00 64.03 N ATOM 1414 CA LEU A 90 -13.608 -8.626 29.383 1.00 52.42 C ATOM 1415 C LEU A 90 -14.787 -8.466 28.427 1.00 22.11 C ATOM 1416 O LEU A 90 -15.138 -7.360 28.017 1.00 42.42 O ATOM 1417 CB LEU A 90 -12.358 -9.135 28.636 1.00 13.53 C ATOM 1418 CG LEU A 90 -10.991 -9.096 29.370 1.00 74.33 C ATOM 1419 CD1 LEU A 90 -9.849 -9.544 28.426 1.00 63.10 C ATOM 1420 CD2 LEU A 90 -10.627 -7.753 30.028 1.00 72.20 C ATOM 0 H LEU A 90 -13.327 -10.357 30.497 1.00 64.03 H new ATOM 0 HA LEU A 90 -13.412 -7.637 29.796 1.00 52.42 H new ATOM 0 HB2 LEU A 90 -12.546 -10.167 28.340 1.00 13.53 H new ATOM 0 HB3 LEU A 90 -12.259 -8.553 27.720 1.00 13.53 H new ATOM 0 HG LEU A 90 -11.109 -9.799 30.195 1.00 74.33 H new ATOM 0 HD11 LEU A 90 -8.900 -9.509 28.961 1.00 63.10 H new ATOM 0 HD12 LEU A 90 -10.037 -10.562 28.086 1.00 63.10 H new ATOM 0 HD13 LEU A 90 -9.805 -8.876 27.566 1.00 63.10 H new ATOM 0 HD21 LEU A 90 -9.654 -7.837 30.512 1.00 72.20 H new ATOM 0 HD22 LEU A 90 -10.588 -6.974 29.267 1.00 72.20 H new ATOM 0 HD23 LEU A 90 -11.381 -7.496 30.772 1.00 72.20 H new ATOM 1432 N LEU A 91 -15.482 -9.571 28.103 1.00 45.54 N ATOM 1433 CA LEU A 91 -16.708 -9.540 27.326 1.00 12.15 C ATOM 1434 C LEU A 91 -17.835 -8.790 28.057 1.00 15.20 C ATOM 1435 O LEU A 91 -18.565 -8.003 27.456 1.00 3.43 O ATOM 1436 CB LEU A 91 -17.091 -10.995 26.954 1.00 53.15 C ATOM 1437 CG LEU A 91 -16.104 -11.648 25.952 1.00 22.12 C ATOM 1438 CD1 LEU A 91 -15.944 -13.152 26.196 1.00 70.41 C ATOM 1439 CD2 LEU A 91 -16.536 -11.434 24.497 1.00 51.42 C ATOM 0 H LEU A 91 -15.197 -10.510 28.380 1.00 45.54 H new ATOM 0 HA LEU A 91 -16.547 -8.976 26.407 1.00 12.15 H new ATOM 0 HB2 LEU A 91 -17.129 -11.597 27.862 1.00 53.15 H new ATOM 0 HB3 LEU A 91 -18.093 -11.002 26.524 1.00 53.15 H new ATOM 0 HG LEU A 91 -15.148 -11.153 26.121 1.00 22.12 H new ATOM 0 HD11 LEU A 91 -15.244 -13.566 25.471 1.00 70.41 H new ATOM 0 HD12 LEU A 91 -15.563 -13.319 27.204 1.00 70.41 H new ATOM 0 HD13 LEU A 91 -16.911 -13.643 26.088 1.00 70.41 H new ATOM 0 HD21 LEU A 91 -15.816 -11.908 23.830 1.00 51.42 H new ATOM 0 HD22 LEU A 91 -17.520 -11.876 24.341 1.00 51.42 H new ATOM 0 HD23 LEU A 91 -16.580 -10.366 24.284 1.00 51.42 H new ATOM 1451 N ASP A 92 -17.971 -8.972 29.396 1.00 3.41 N ATOM 1452 CA ASP A 92 -18.912 -8.252 30.241 1.00 35.23 C ATOM 1453 C ASP A 92 -18.626 -6.746 30.296 1.00 2.41 C ATOM 1454 O ASP A 92 -19.552 -5.950 30.179 1.00 3.42 O ATOM 1455 CB ASP A 92 -18.917 -8.875 31.668 1.00 51.41 C ATOM 1456 CG ASP A 92 -20.023 -8.328 32.569 1.00 13.22 C ATOM 1457 OD1 ASP A 92 -21.214 -8.503 32.205 1.00 13.00 O ATOM 1458 OD2 ASP A 92 -19.679 -7.750 33.632 1.00 32.30 O ATOM 0 H ASP A 92 -17.407 -9.645 29.915 1.00 3.41 H new ATOM 0 HA ASP A 92 -19.902 -8.356 29.797 1.00 35.23 H new ATOM 0 HB2 ASP A 92 -19.030 -9.956 31.583 1.00 51.41 H new ATOM 0 HB3 ASP A 92 -17.951 -8.691 32.139 1.00 51.41 H new ATOM 1463 N ILE A 93 -17.341 -6.317 30.423 1.00 35.41 N ATOM 1464 CA ILE A 93 -16.926 -4.910 30.363 1.00 24.42 C ATOM 1465 C ILE A 93 -17.301 -4.310 29.033 1.00 13.25 C ATOM 1466 O ILE A 93 -17.868 -3.221 28.982 1.00 62.25 O ATOM 1467 CB ILE A 93 -15.416 -4.696 30.523 1.00 73.41 C ATOM 1468 CG1 ILE A 93 -14.905 -5.001 31.948 1.00 64.52 C ATOM 1469 CG2 ILE A 93 -14.992 -3.260 30.124 1.00 53.15 C ATOM 1470 CD1 ILE A 93 -13.372 -5.107 32.047 1.00 1.42 C ATOM 0 H ILE A 93 -16.561 -6.958 30.572 1.00 35.41 H new ATOM 0 HA ILE A 93 -17.439 -4.434 31.198 1.00 24.42 H new ATOM 0 HB ILE A 93 -14.955 -5.412 29.842 1.00 73.41 H new ATOM 0 HG12 ILE A 93 -15.250 -4.218 32.623 1.00 64.52 H new ATOM 0 HG13 ILE A 93 -15.348 -5.936 32.291 1.00 64.52 H new ATOM 0 HG21 ILE A 93 -13.915 -3.150 30.252 1.00 53.15 H new ATOM 0 HG22 ILE A 93 -15.254 -3.080 29.081 1.00 53.15 H new ATOM 0 HG23 ILE A 93 -15.508 -2.539 30.758 1.00 53.15 H new ATOM 0 HD11 ILE A 93 -13.088 -5.323 33.077 1.00 1.42 H new ATOM 0 HD12 ILE A 93 -13.020 -5.909 31.398 1.00 1.42 H new ATOM 0 HD13 ILE A 93 -12.921 -4.165 31.736 1.00 1.42 H new ATOM 1482 N LYS A 94 -17.040 -5.030 27.919 1.00 71.55 N ATOM 1483 CA LYS A 94 -17.376 -4.562 26.595 1.00 75.33 C ATOM 1484 C LYS A 94 -18.837 -4.307 26.456 1.00 71.51 C ATOM 1485 O LYS A 94 -19.260 -3.202 26.139 1.00 22.20 O ATOM 1486 CB LYS A 94 -17.010 -5.625 25.517 1.00 73.21 C ATOM 1487 CG LYS A 94 -17.570 -5.258 24.136 1.00 65.54 C ATOM 1488 CD LYS A 94 -17.299 -6.201 22.960 1.00 61.35 C ATOM 1489 CE LYS A 94 -18.069 -5.621 21.779 1.00 12.24 C ATOM 1490 NZ LYS A 94 -17.490 -5.999 20.483 1.00 42.03 N ATOM 0 H LYS A 94 -16.592 -5.946 27.933 1.00 71.55 H new ATOM 0 HA LYS A 94 -16.811 -3.641 26.450 1.00 75.33 H new ATOM 0 HB2 LYS A 94 -15.926 -5.721 25.455 1.00 73.21 H new ATOM 0 HB3 LYS A 94 -17.399 -6.597 25.820 1.00 73.21 H new ATOM 0 HG2 LYS A 94 -18.651 -5.154 24.234 1.00 65.54 H new ATOM 0 HG3 LYS A 94 -17.178 -4.276 23.870 1.00 65.54 H new ATOM 0 HD2 LYS A 94 -16.233 -6.258 22.742 1.00 61.35 H new ATOM 0 HD3 LYS A 94 -17.633 -7.214 23.185 1.00 61.35 H new ATOM 0 HE2 LYS A 94 -19.104 -5.961 21.823 1.00 12.24 H new ATOM 0 HE3 LYS A 94 -18.087 -4.534 21.861 1.00 12.24 H new ATOM 0 HZ1 LYS A 94 -17.829 -5.346 19.748 1.00 42.03 H new ATOM 0 HZ2 LYS A 94 -16.453 -5.950 20.539 1.00 42.03 H new ATOM 0 HZ3 LYS A 94 -17.778 -6.969 20.244 1.00 42.03 H new ATOM 1504 N HIS A 95 -19.670 -5.301 26.777 1.00 70.34 N ATOM 1505 CA HIS A 95 -21.076 -5.173 26.512 1.00 51.14 C ATOM 1506 C HIS A 95 -21.696 -4.156 27.464 1.00 31.42 C ATOM 1507 O HIS A 95 -22.656 -3.475 27.114 1.00 44.52 O ATOM 1508 CB HIS A 95 -21.748 -6.535 26.679 1.00 61.50 C ATOM 1509 CG HIS A 95 -21.340 -7.569 25.661 1.00 43.21 C ATOM 1510 ND1 HIS A 95 -21.782 -8.859 25.745 1.00 50.02 N ATOM 1511 CD2 HIS A 95 -20.502 -7.512 24.600 1.00 43.52 C ATOM 1512 CE1 HIS A 95 -21.233 -9.563 24.771 1.00 4.44 C ATOM 1513 NE2 HIS A 95 -20.449 -8.770 24.065 1.00 50.42 N ATOM 0 H HIS A 95 -19.388 -6.180 27.211 1.00 70.34 H new ATOM 0 HA HIS A 95 -21.223 -4.824 25.490 1.00 51.14 H new ATOM 0 HB2 HIS A 95 -21.522 -6.917 27.675 1.00 61.50 H new ATOM 0 HB3 HIS A 95 -22.828 -6.400 26.627 1.00 61.50 H new ATOM 0 HD2 HIS A 95 -19.975 -6.639 24.243 1.00 43.52 H new ATOM 0 HE1 HIS A 95 -21.398 -10.614 24.584 1.00 4.44 H new ATOM 0 HE2 HIS A 95 -19.895 -9.049 23.255 1.00 50.42 H new ATOM 1522 N SER A 96 -21.121 -4.010 28.689 1.00 0.43 N ATOM 1523 CA SER A 96 -21.530 -2.997 29.661 1.00 22.51 C ATOM 1524 C SER A 96 -21.230 -1.591 29.171 1.00 73.33 C ATOM 1525 O SER A 96 -22.041 -0.673 29.257 1.00 72.13 O ATOM 1526 CB SER A 96 -20.812 -3.213 31.013 1.00 32.30 C ATOM 1527 OG SER A 96 -21.261 -2.324 32.037 1.00 74.04 O ATOM 0 H SER A 96 -20.358 -4.602 29.017 1.00 0.43 H new ATOM 0 HA SER A 96 -22.607 -3.104 29.790 1.00 22.51 H new ATOM 0 HB2 SER A 96 -20.968 -4.241 31.340 1.00 32.30 H new ATOM 0 HB3 SER A 96 -19.739 -3.082 30.872 1.00 32.30 H new ATOM 0 HG SER A 96 -20.774 -2.508 32.867 1.00 74.04 H new ATOM 1533 N CYS A 97 -20.027 -1.404 28.597 1.00 42.02 N ATOM 1534 CA CYS A 97 -19.577 -0.155 28.026 1.00 54.41 C ATOM 1535 C CYS A 97 -20.356 0.287 26.814 1.00 34.35 C ATOM 1536 O CYS A 97 -20.558 1.479 26.611 1.00 14.42 O ATOM 1537 CB CYS A 97 -18.064 -0.170 27.722 1.00 34.24 C ATOM 1538 SG CYS A 97 -16.983 0.221 29.123 1.00 60.14 S ATOM 0 H CYS A 97 -19.334 -2.149 28.524 1.00 42.02 H new ATOM 0 HA CYS A 97 -19.771 0.587 28.800 1.00 54.41 H new ATOM 0 HB2 CYS A 97 -17.797 -1.157 27.344 1.00 34.24 H new ATOM 0 HB3 CYS A 97 -17.865 0.543 26.922 1.00 34.24 H new ATOM 1543 N GLU A 98 -20.862 -0.661 26.001 1.00 75.21 N ATOM 1544 CA GLU A 98 -21.637 -0.402 24.791 1.00 3.54 C ATOM 1545 C GLU A 98 -22.918 0.353 25.077 1.00 53.24 C ATOM 1546 O GLU A 98 -23.458 1.050 24.226 1.00 21.44 O ATOM 1547 CB GLU A 98 -21.975 -1.742 24.096 1.00 65.05 C ATOM 1548 CG GLU A 98 -20.721 -2.428 23.508 1.00 72.23 C ATOM 1549 CD GLU A 98 -20.334 -1.902 22.126 1.00 64.44 C ATOM 1550 OE1 GLU A 98 -20.302 -2.735 21.181 1.00 20.54 O ATOM 1551 OE2 GLU A 98 -20.069 -0.681 21.993 1.00 30.55 O ATOM 0 H GLU A 98 -20.734 -1.657 26.182 1.00 75.21 H new ATOM 0 HA GLU A 98 -21.025 0.223 24.140 1.00 3.54 H new ATOM 0 HB2 GLU A 98 -22.450 -2.411 24.813 1.00 65.05 H new ATOM 0 HB3 GLU A 98 -22.697 -1.564 23.299 1.00 65.05 H new ATOM 0 HG2 GLU A 98 -19.884 -2.285 24.191 1.00 72.23 H new ATOM 0 HG3 GLU A 98 -20.900 -3.501 23.443 1.00 72.23 H new ATOM 1558 N LYS A 99 -23.424 0.209 26.311 1.00 54.42 N ATOM 1559 CA LYS A 99 -24.631 0.823 26.812 1.00 41.13 C ATOM 1560 C LYS A 99 -24.379 2.290 27.110 1.00 60.33 C ATOM 1561 O LYS A 99 -25.236 3.143 26.893 1.00 34.01 O ATOM 1562 CB LYS A 99 -25.033 0.140 28.140 1.00 73.20 C ATOM 1563 CG LYS A 99 -25.308 -1.369 28.030 1.00 35.41 C ATOM 1564 CD LYS A 99 -25.303 -2.051 29.412 1.00 14.14 C ATOM 1565 CE LYS A 99 -26.638 -1.965 30.148 1.00 63.35 C ATOM 1566 NZ LYS A 99 -26.525 -2.622 31.465 1.00 31.32 N ATOM 0 H LYS A 99 -22.966 -0.373 27.012 1.00 54.42 H new ATOM 0 HA LYS A 99 -25.416 0.718 26.063 1.00 41.13 H new ATOM 0 HB2 LYS A 99 -24.238 0.298 28.869 1.00 73.20 H new ATOM 0 HB3 LYS A 99 -25.925 0.630 28.529 1.00 73.20 H new ATOM 0 HG2 LYS A 99 -26.273 -1.529 27.549 1.00 35.41 H new ATOM 0 HG3 LYS A 99 -24.554 -1.831 27.393 1.00 35.41 H new ATOM 0 HD2 LYS A 99 -25.034 -3.100 29.288 1.00 14.14 H new ATOM 0 HD3 LYS A 99 -24.529 -1.595 30.029 1.00 14.14 H new ATOM 0 HE2 LYS A 99 -26.927 -0.922 30.275 1.00 63.35 H new ATOM 0 HE3 LYS A 99 -27.420 -2.443 29.559 1.00 63.35 H new ATOM 0 HZ1 LYS A 99 -27.436 -2.561 31.963 1.00 31.32 H new ATOM 0 HZ2 LYS A 99 -26.268 -3.621 31.334 1.00 31.32 H new ATOM 0 HZ3 LYS A 99 -25.791 -2.147 32.028 1.00 31.32 H new ATOM 1580 N VAL A 100 -23.188 2.585 27.687 1.00 12.22 N ATOM 1581 CA VAL A 100 -22.906 3.855 28.335 1.00 74.20 C ATOM 1582 C VAL A 100 -22.213 4.814 27.392 1.00 14.44 C ATOM 1583 O VAL A 100 -22.357 6.030 27.506 1.00 41.51 O ATOM 1584 CB VAL A 100 -22.079 3.702 29.617 1.00 62.23 C ATOM 1585 CG1 VAL A 100 -22.855 2.777 30.569 1.00 64.52 C ATOM 1586 CG2 VAL A 100 -20.654 3.184 29.382 1.00 22.01 C ATOM 0 H VAL A 100 -22.403 1.934 27.707 1.00 12.22 H new ATOM 0 HA VAL A 100 -23.876 4.265 28.616 1.00 74.20 H new ATOM 0 HB VAL A 100 -21.943 4.692 30.053 1.00 62.23 H new ATOM 0 HG11 VAL A 100 -22.290 2.649 31.492 1.00 64.52 H new ATOM 0 HG12 VAL A 100 -23.825 3.219 30.795 1.00 64.52 H new ATOM 0 HG13 VAL A 100 -23.000 1.806 30.095 1.00 64.52 H new ATOM 0 HG21 VAL A 100 -20.134 3.103 30.337 1.00 22.01 H new ATOM 0 HG22 VAL A 100 -20.697 2.203 28.908 1.00 22.01 H new ATOM 0 HG23 VAL A 100 -20.117 3.877 28.734 1.00 22.01 H new ATOM 1596 N ILE A 101 -21.442 4.279 26.420 1.00 60.01 N ATOM 1597 CA ILE A 101 -20.812 5.071 25.378 1.00 12.12 C ATOM 1598 C ILE A 101 -21.780 5.608 24.343 1.00 65.22 C ATOM 1599 O ILE A 101 -22.849 5.057 24.086 1.00 42.02 O ATOM 1600 CB ILE A 101 -19.705 4.345 24.633 1.00 12.24 C ATOM 1601 CG1 ILE A 101 -20.179 3.060 23.914 1.00 33.35 C ATOM 1602 CG2 ILE A 101 -18.540 4.064 25.601 1.00 4.34 C ATOM 1603 CD1 ILE A 101 -19.670 2.970 22.480 1.00 23.14 C ATOM 0 H ILE A 101 -21.248 3.280 26.349 1.00 60.01 H new ATOM 0 HA ILE A 101 -20.386 5.900 25.943 1.00 12.12 H new ATOM 0 HB ILE A 101 -19.363 5.001 23.832 1.00 12.24 H new ATOM 0 HG12 ILE A 101 -19.837 2.188 24.472 1.00 33.35 H new ATOM 0 HG13 ILE A 101 -21.269 3.030 23.912 1.00 33.35 H new ATOM 0 HG21 ILE A 101 -17.743 3.543 25.070 1.00 4.34 H new ATOM 0 HG22 ILE A 101 -18.158 5.006 25.994 1.00 4.34 H new ATOM 0 HG23 ILE A 101 -18.893 3.444 26.425 1.00 4.34 H new ATOM 0 HD11 ILE A 101 -20.032 2.049 22.022 1.00 23.14 H new ATOM 0 HD12 ILE A 101 -20.033 3.826 21.911 1.00 23.14 H new ATOM 0 HD13 ILE A 101 -18.580 2.971 22.480 1.00 23.14 H new ATOM 1615 N THR A 102 -21.390 6.717 23.672 1.00 34.44 N ATOM 1616 CA THR A 102 -22.055 7.139 22.450 1.00 35.53 C ATOM 1617 C THR A 102 -21.830 6.155 21.323 1.00 42.32 C ATOM 1618 O THR A 102 -20.702 5.890 20.907 1.00 72.04 O ATOM 1619 CB THR A 102 -21.656 8.536 21.979 1.00 13.33 C ATOM 1620 OG1 THR A 102 -22.018 9.503 22.955 1.00 71.21 O ATOM 1621 CG2 THR A 102 -22.305 8.920 20.632 1.00 51.34 C ATOM 0 H THR A 102 -20.623 7.321 23.966 1.00 34.44 H new ATOM 0 HA THR A 102 -23.113 7.171 22.710 1.00 35.53 H new ATOM 0 HB THR A 102 -20.575 8.519 21.837 1.00 13.33 H new ATOM 0 HG1 THR A 102 -21.756 10.395 22.644 1.00 71.21 H new ATOM 0 HG21 THR A 102 -21.986 9.922 20.347 1.00 51.34 H new ATOM 0 HG22 THR A 102 -21.998 8.209 19.865 1.00 51.34 H new ATOM 0 HG23 THR A 102 -23.390 8.900 20.732 1.00 51.34 H new ATOM 1629 N ILE A 103 -22.959 5.653 20.784 1.00 44.24 N ATOM 1630 CA ILE A 103 -23.101 4.813 19.639 1.00 52.23 C ATOM 1631 C ILE A 103 -23.610 5.735 18.590 1.00 4.54 C ATOM 1632 O ILE A 103 -24.548 6.502 18.810 1.00 55.44 O ATOM 1633 CB ILE A 103 -24.098 3.674 19.775 1.00 35.41 C ATOM 1634 CG1 ILE A 103 -23.669 2.724 20.913 1.00 72.42 C ATOM 1635 CG2 ILE A 103 -24.330 2.962 18.410 1.00 22.24 C ATOM 1636 CD1 ILE A 103 -24.610 1.535 21.056 1.00 53.45 C ATOM 0 H ILE A 103 -23.866 5.862 21.200 1.00 44.24 H new ATOM 0 HA ILE A 103 -22.146 4.325 19.441 1.00 52.23 H new ATOM 0 HB ILE A 103 -25.071 4.075 20.059 1.00 35.41 H new ATOM 0 HG12 ILE A 103 -22.658 2.364 20.722 1.00 72.42 H new ATOM 0 HG13 ILE A 103 -23.638 3.276 21.852 1.00 72.42 H new ATOM 0 HG21 ILE A 103 -25.048 2.152 18.539 1.00 22.24 H new ATOM 0 HG22 ILE A 103 -24.719 3.679 17.687 1.00 22.24 H new ATOM 0 HG23 ILE A 103 -23.386 2.556 18.047 1.00 22.24 H new ATOM 0 HD11 ILE A 103 -24.267 0.895 21.869 1.00 53.45 H new ATOM 0 HD12 ILE A 103 -25.616 1.892 21.275 1.00 53.45 H new ATOM 0 HD13 ILE A 103 -24.621 0.966 20.127 1.00 53.45 H new ATOM 1648 N VAL A 104 -22.985 5.679 17.417 1.00 62.13 N ATOM 1649 CA VAL A 104 -23.408 6.482 16.316 1.00 71.12 C ATOM 1650 C VAL A 104 -23.939 5.523 15.277 1.00 33.02 C ATOM 1651 O VAL A 104 -23.271 4.576 14.869 1.00 2.42 O ATOM 1652 CB VAL A 104 -22.284 7.224 15.693 1.00 75.41 C ATOM 1653 CG1 VAL A 104 -22.741 8.181 14.636 1.00 14.42 C ATOM 1654 CG2 VAL A 104 -21.365 7.937 16.673 1.00 20.50 C ATOM 0 H VAL A 104 -22.184 5.079 17.222 1.00 62.13 H new ATOM 0 HA VAL A 104 -24.140 7.209 16.666 1.00 71.12 H new ATOM 0 HB VAL A 104 -21.690 6.437 15.229 1.00 75.41 H new ATOM 0 HG11 VAL A 104 -21.878 8.696 14.214 1.00 14.42 H new ATOM 0 HG12 VAL A 104 -23.257 7.633 13.848 1.00 14.42 H new ATOM 0 HG13 VAL A 104 -23.421 8.911 15.075 1.00 14.42 H new ATOM 0 HG21 VAL A 104 -20.576 8.450 16.124 1.00 20.50 H new ATOM 0 HG22 VAL A 104 -21.939 8.664 17.247 1.00 20.50 H new ATOM 0 HG23 VAL A 104 -20.921 7.208 17.351 1.00 20.50 H new ATOM 1664 N ALA A 105 -25.161 5.780 14.800 1.00 2.21 N ATOM 1665 CA ALA A 105 -25.749 5.086 13.678 1.00 71.13 C ATOM 1666 C ALA A 105 -25.022 5.295 12.357 1.00 53.21 C ATOM 1667 O ALA A 105 -24.775 4.358 11.603 1.00 73.12 O ATOM 1668 CB ALA A 105 -27.215 5.515 13.509 1.00 42.32 C ATOM 0 H ALA A 105 -25.772 6.493 15.200 1.00 2.21 H new ATOM 0 HA ALA A 105 -25.667 4.025 13.916 1.00 71.13 H new ATOM 0 HB1 ALA A 105 -27.653 4.988 12.661 1.00 42.32 H new ATOM 0 HB2 ALA A 105 -27.772 5.272 14.414 1.00 42.32 H new ATOM 0 HB3 ALA A 105 -27.262 6.589 13.332 1.00 42.32 H new ATOM 1674 N ASP A 106 -24.652 6.560 12.067 1.00 34.20 N ATOM 1675 CA ASP A 106 -23.893 6.980 10.909 1.00 51.22 C ATOM 1676 C ASP A 106 -22.477 6.407 10.866 1.00 51.14 C ATOM 1677 O ASP A 106 -21.959 6.093 9.798 1.00 2.11 O ATOM 1678 CB ASP A 106 -23.886 8.538 10.851 1.00 15.53 C ATOM 1679 CG ASP A 106 -23.271 9.097 9.566 1.00 22.30 C ATOM 1680 OD1 ASP A 106 -22.212 9.768 9.675 1.00 4.03 O ATOM 1681 OD2 ASP A 106 -23.873 8.877 8.485 1.00 35.11 O ATOM 0 H ASP A 106 -24.895 7.342 12.675 1.00 34.20 H new ATOM 0 HA ASP A 106 -24.383 6.577 10.023 1.00 51.22 H new ATOM 0 HB2 ASP A 106 -24.909 8.902 10.943 1.00 15.53 H new ATOM 0 HB3 ASP A 106 -23.332 8.923 11.707 1.00 15.53 H new ATOM 1686 N ASP A 107 -21.801 6.343 12.029 1.00 0.41 N ATOM 1687 CA ASP A 107 -20.362 6.217 12.088 1.00 64.21 C ATOM 1688 C ASP A 107 -19.999 5.068 13.030 1.00 54.53 C ATOM 1689 O ASP A 107 -19.895 5.320 14.230 1.00 61.34 O ATOM 1690 CB ASP A 107 -19.744 7.545 12.612 1.00 12.41 C ATOM 1691 CG ASP A 107 -18.230 7.577 12.465 1.00 25.45 C ATOM 1692 OD1 ASP A 107 -17.752 7.635 11.304 1.00 22.12 O ATOM 1693 OD2 ASP A 107 -17.541 7.497 13.514 1.00 50.14 O ATOM 0 H ASP A 107 -22.251 6.378 12.944 1.00 0.41 H new ATOM 0 HA ASP A 107 -19.968 6.010 11.093 1.00 64.21 H new ATOM 0 HB2 ASP A 107 -20.177 8.384 12.067 1.00 12.41 H new ATOM 0 HB3 ASP A 107 -20.007 7.676 13.662 1.00 12.41 H new ATOM 1698 N PRO A 108 -19.736 3.832 12.620 1.00 24.21 N ATOM 1699 CA PRO A 108 -19.385 2.755 13.546 1.00 34.31 C ATOM 1700 C PRO A 108 -18.025 2.956 14.194 1.00 44.35 C ATOM 1701 O PRO A 108 -17.704 2.254 15.152 1.00 12.43 O ATOM 1702 CB PRO A 108 -19.415 1.500 12.656 1.00 23.44 C ATOM 1703 CG PRO A 108 -19.083 2.020 11.254 1.00 64.24 C ATOM 1704 CD PRO A 108 -19.793 3.374 11.229 1.00 12.22 C ATOM 0 HA PRO A 108 -20.070 2.698 14.392 1.00 34.31 H new ATOM 0 HB2 PRO A 108 -18.687 0.760 12.988 1.00 23.44 H new ATOM 0 HB3 PRO A 108 -20.393 1.019 12.680 1.00 23.44 H new ATOM 0 HG2 PRO A 108 -18.008 2.122 11.103 1.00 64.24 H new ATOM 0 HG3 PRO A 108 -19.453 1.353 10.475 1.00 64.24 H new ATOM 0 HD2 PRO A 108 -19.294 4.073 10.558 1.00 12.22 H new ATOM 0 HD3 PRO A 108 -20.822 3.278 10.882 1.00 12.22 H new ATOM 1712 N CYS A 109 -17.198 3.886 13.669 1.00 2.42 N ATOM 1713 CA CYS A 109 -15.850 4.142 14.111 1.00 61.23 C ATOM 1714 C CYS A 109 -15.843 4.777 15.494 1.00 44.44 C ATOM 1715 O CYS A 109 -15.114 4.345 16.383 1.00 22.03 O ATOM 1716 CB CYS A 109 -15.125 5.044 13.085 1.00 20.24 C ATOM 1717 SG CYS A 109 -15.062 4.279 11.427 1.00 73.54 S ATOM 0 H CYS A 109 -17.481 4.491 12.898 1.00 2.42 H new ATOM 0 HA CYS A 109 -15.318 3.193 14.182 1.00 61.23 H new ATOM 0 HB2 CYS A 109 -15.636 6.005 13.022 1.00 20.24 H new ATOM 0 HB3 CYS A 109 -14.111 5.244 13.431 1.00 20.24 H new ATOM 1722 N GLN A 110 -16.725 5.781 15.736 1.00 24.12 N ATOM 1723 CA GLN A 110 -16.956 6.374 17.046 1.00 2.43 C ATOM 1724 C GLN A 110 -17.472 5.364 18.028 1.00 61.34 C ATOM 1725 O GLN A 110 -16.932 5.262 19.121 1.00 22.20 O ATOM 1726 CB GLN A 110 -17.970 7.551 16.992 1.00 13.11 C ATOM 1727 CG GLN A 110 -17.419 8.913 17.479 1.00 53.11 C ATOM 1728 CD GLN A 110 -16.692 9.644 16.357 1.00 74.43 C ATOM 1729 OE1 GLN A 110 -15.773 8.908 15.690 1.00 14.23 O flip ATOM 1730 NE2 GLN A 110 -16.969 10.805 16.051 1.00 64.33 N flip ATOM 0 H GLN A 110 -17.298 6.197 15.002 1.00 24.12 H new ATOM 0 HA GLN A 110 -15.985 6.749 17.370 1.00 2.43 H new ATOM 0 HB2 GLN A 110 -18.319 7.663 15.965 1.00 13.11 H new ATOM 0 HB3 GLN A 110 -18.839 7.290 17.597 1.00 13.11 H new ATOM 0 HG2 GLN A 110 -18.239 9.530 17.847 1.00 53.11 H new ATOM 0 HG3 GLN A 110 -16.738 8.755 18.315 1.00 53.11 H new ATOM 0 HE21 GLN A 110 -17.670 11.320 16.584 1.00 64.33 H new ATOM 0 HE22 GLN A 110 -16.498 11.251 15.264 1.00 64.33 H new ATOM 1739 N THR A 111 -18.462 4.530 17.628 1.00 65.05 N ATOM 1740 CA THR A 111 -18.959 3.450 18.483 1.00 63.14 C ATOM 1741 C THR A 111 -17.831 2.513 18.911 1.00 63.21 C ATOM 1742 O THR A 111 -17.689 2.211 20.092 1.00 60.31 O ATOM 1743 CB THR A 111 -20.015 2.589 17.807 1.00 65.55 C ATOM 1744 OG1 THR A 111 -21.101 3.393 17.366 1.00 65.33 O ATOM 1745 CG2 THR A 111 -20.559 1.516 18.783 1.00 3.20 C ATOM 0 H THR A 111 -18.924 4.592 16.721 1.00 65.05 H new ATOM 0 HA THR A 111 -19.399 3.957 19.342 1.00 63.14 H new ATOM 0 HB THR A 111 -19.545 2.099 16.954 1.00 65.55 H new ATOM 0 HG1 THR A 111 -21.603 2.914 16.674 1.00 65.33 H new ATOM 0 HG21 THR A 111 -21.313 0.913 18.277 1.00 3.20 H new ATOM 0 HG22 THR A 111 -19.741 0.875 19.111 1.00 3.20 H new ATOM 0 HG23 THR A 111 -21.007 2.005 19.648 1.00 3.20 H new ATOM 1753 N MET A 112 -16.952 2.078 17.976 1.00 63.21 N ATOM 1754 CA MET A 112 -15.831 1.212 18.301 1.00 22.50 C ATOM 1755 C MET A 112 -14.772 1.871 19.186 1.00 70.21 C ATOM 1756 O MET A 112 -14.363 1.318 20.201 1.00 14.13 O ATOM 1757 CB MET A 112 -15.115 0.732 17.013 1.00 14.32 C ATOM 1758 CG MET A 112 -14.184 -0.467 17.261 1.00 33.02 C ATOM 1759 SD MET A 112 -15.111 -1.973 17.706 1.00 30.12 S ATOM 1760 CE MET A 112 -13.685 -3.049 18.006 1.00 63.43 C ATOM 0 H MET A 112 -17.013 2.324 16.988 1.00 63.21 H new ATOM 0 HA MET A 112 -16.274 0.382 18.852 1.00 22.50 H new ATOM 0 HB2 MET A 112 -15.862 0.458 16.268 1.00 14.32 H new ATOM 0 HB3 MET A 112 -14.536 1.556 16.596 1.00 14.32 H new ATOM 0 HG2 MET A 112 -13.592 -0.657 16.366 1.00 33.02 H new ATOM 0 HG3 MET A 112 -13.484 -0.223 18.060 1.00 33.02 H new ATOM 0 HE1 MET A 112 -14.029 -4.013 18.382 1.00 63.43 H new ATOM 0 HE2 MET A 112 -13.138 -3.197 17.075 1.00 63.43 H new ATOM 0 HE3 MET A 112 -13.028 -2.586 18.742 1.00 63.43 H new ATOM 1770 N LEU A 113 -14.318 3.095 18.827 1.00 45.51 N ATOM 1771 CA LEU A 113 -13.293 3.855 19.543 1.00 34.23 C ATOM 1772 C LEU A 113 -13.747 4.291 20.915 1.00 71.53 C ATOM 1773 O LEU A 113 -13.034 4.098 21.899 1.00 54.43 O ATOM 1774 CB LEU A 113 -12.906 5.057 18.660 1.00 32.21 C ATOM 1775 CG LEU A 113 -11.631 5.916 18.893 1.00 32.50 C ATOM 1776 CD1 LEU A 113 -11.841 7.366 18.404 1.00 43.11 C ATOM 1777 CD2 LEU A 113 -10.879 5.850 20.229 1.00 70.23 C ATOM 0 H LEU A 113 -14.672 3.586 18.006 1.00 45.51 H new ATOM 0 HA LEU A 113 -12.425 3.219 19.721 1.00 34.23 H new ATOM 0 HB2 LEU A 113 -12.840 4.680 17.639 1.00 32.21 H new ATOM 0 HB3 LEU A 113 -13.750 5.746 18.691 1.00 32.21 H new ATOM 0 HG LEU A 113 -10.912 5.386 18.269 1.00 32.50 H new ATOM 0 HD11 LEU A 113 -10.934 7.944 18.579 1.00 43.11 H new ATOM 0 HD12 LEU A 113 -12.068 7.361 17.338 1.00 43.11 H new ATOM 0 HD13 LEU A 113 -12.670 7.817 18.949 1.00 43.11 H new ATOM 0 HD21 LEU A 113 -10.020 6.520 20.196 1.00 70.23 H new ATOM 0 HD22 LEU A 113 -11.545 6.154 21.037 1.00 70.23 H new ATOM 0 HD23 LEU A 113 -10.538 4.830 20.404 1.00 70.23 H new ATOM 1789 N ASN A 114 -14.992 4.818 21.019 1.00 21.34 N ATOM 1790 CA ASN A 114 -15.599 5.238 22.277 1.00 25.31 C ATOM 1791 C ASN A 114 -15.743 4.041 23.197 1.00 51.02 C ATOM 1792 O ASN A 114 -15.463 4.120 24.391 1.00 25.32 O ATOM 1793 CB ASN A 114 -17.021 5.851 22.150 1.00 52.24 C ATOM 1794 CG ASN A 114 -17.015 7.212 21.457 1.00 12.42 C ATOM 1795 OD1 ASN A 114 -16.020 7.935 21.400 1.00 73.15 O ATOM 1796 ND2 ASN A 114 -18.207 7.580 20.913 1.00 73.54 N ATOM 0 H ASN A 114 -15.600 4.959 20.212 1.00 21.34 H new ATOM 0 HA ASN A 114 -14.929 6.008 22.658 1.00 25.31 H new ATOM 0 HB2 ASN A 114 -17.659 5.166 21.592 1.00 52.24 H new ATOM 0 HB3 ASN A 114 -17.458 5.955 23.143 1.00 52.24 H new ATOM 0 HD21 ASN A 114 -18.296 8.479 20.440 1.00 73.54 H new ATOM 0 HD22 ASN A 114 -19.012 6.956 20.978 1.00 73.54 H new ATOM 1803 N LEU A 115 -16.155 2.874 22.646 1.00 64.14 N ATOM 1804 CA LEU A 115 -16.206 1.637 23.390 1.00 10.31 C ATOM 1805 C LEU A 115 -14.859 1.195 23.862 1.00 52.42 C ATOM 1806 O LEU A 115 -14.686 0.831 25.018 1.00 14.24 O ATOM 1807 CB LEU A 115 -16.792 0.491 22.545 1.00 20.33 C ATOM 1808 CG LEU A 115 -16.865 -0.876 23.254 1.00 21.24 C ATOM 1809 CD1 LEU A 115 -15.598 -1.734 23.182 1.00 14.03 C ATOM 1810 CD2 LEU A 115 -17.480 -0.796 24.643 1.00 64.35 C ATOM 0 H LEU A 115 -16.456 2.786 21.675 1.00 64.14 H new ATOM 0 HA LEU A 115 -16.844 1.848 24.248 1.00 10.31 H new ATOM 0 HB2 LEU A 115 -17.796 0.772 22.228 1.00 20.33 H new ATOM 0 HB3 LEU A 115 -16.191 0.383 21.642 1.00 20.33 H new ATOM 0 HG LEU A 115 -17.569 -1.444 22.646 1.00 21.24 H new ATOM 0 HD11 LEU A 115 -15.763 -2.671 23.713 1.00 14.03 H new ATOM 0 HD12 LEU A 115 -15.360 -1.945 22.139 1.00 14.03 H new ATOM 0 HD13 LEU A 115 -14.768 -1.197 23.642 1.00 14.03 H new ATOM 0 HD21 LEU A 115 -17.503 -1.790 25.089 1.00 64.35 H new ATOM 0 HD22 LEU A 115 -16.883 -0.132 25.268 1.00 64.35 H new ATOM 0 HD23 LEU A 115 -18.496 -0.408 24.569 1.00 64.35 H new ATOM 1822 N ALA A 116 -13.866 1.227 22.963 1.00 10.20 N ATOM 1823 CA ALA A 116 -12.533 0.726 23.214 1.00 33.13 C ATOM 1824 C ALA A 116 -11.862 1.512 24.308 1.00 52.40 C ATOM 1825 O ALA A 116 -11.262 0.948 25.223 1.00 34.31 O ATOM 1826 CB ALA A 116 -11.663 0.761 21.946 1.00 65.34 C ATOM 0 H ALA A 116 -13.982 1.612 22.026 1.00 10.20 H new ATOM 0 HA ALA A 116 -12.637 -0.312 23.530 1.00 33.13 H new ATOM 0 HB1 ALA A 116 -10.669 0.377 22.176 1.00 65.34 H new ATOM 0 HB2 ALA A 116 -12.121 0.144 21.173 1.00 65.34 H new ATOM 0 HB3 ALA A 116 -11.581 1.788 21.589 1.00 65.34 H new ATOM 1832 N MET A 117 -12.009 2.855 24.262 1.00 22.40 N ATOM 1833 CA MET A 117 -11.502 3.714 25.293 1.00 5.21 C ATOM 1834 C MET A 117 -12.287 3.564 26.609 1.00 44.14 C ATOM 1835 O MET A 117 -11.693 3.708 27.672 1.00 42.41 O ATOM 1836 CB MET A 117 -11.409 5.182 24.757 1.00 2.40 C ATOM 1837 CG MET A 117 -12.734 5.943 24.619 1.00 70.22 C ATOM 1838 SD MET A 117 -12.596 7.592 23.850 1.00 4.10 S ATOM 1839 CE MET A 117 -11.547 8.392 25.099 1.00 35.03 C ATOM 0 H MET A 117 -12.483 3.347 23.504 1.00 22.40 H new ATOM 0 HA MET A 117 -10.488 3.409 25.553 1.00 5.21 H new ATOM 0 HB2 MET A 117 -10.758 5.748 25.423 1.00 2.40 H new ATOM 0 HB3 MET A 117 -10.925 5.159 23.781 1.00 2.40 H new ATOM 0 HG2 MET A 117 -13.423 5.339 24.029 1.00 70.22 H new ATOM 0 HG3 MET A 117 -13.176 6.056 25.609 1.00 70.22 H new ATOM 0 HE1 MET A 117 -11.566 9.472 24.953 1.00 35.03 H new ATOM 0 HE2 MET A 117 -11.921 8.154 26.095 1.00 35.03 H new ATOM 0 HE3 MET A 117 -10.523 8.031 25.000 1.00 35.03 H new ATOM 1849 N CYS A 118 -13.613 3.215 26.593 1.00 40.30 N ATOM 1850 CA CYS A 118 -14.353 2.784 27.797 1.00 74.44 C ATOM 1851 C CYS A 118 -13.912 1.430 28.336 1.00 30.42 C ATOM 1852 O CYS A 118 -13.654 1.278 29.528 1.00 11.34 O ATOM 1853 CB CYS A 118 -15.896 2.721 27.571 1.00 25.21 C ATOM 1854 SG CYS A 118 -16.940 2.271 29.027 1.00 15.11 S ATOM 0 H CYS A 118 -14.182 3.229 25.747 1.00 40.30 H new ATOM 0 HA CYS A 118 -14.113 3.555 28.529 1.00 74.44 H new ATOM 0 HB2 CYS A 118 -16.225 3.694 27.206 1.00 25.21 H new ATOM 0 HB3 CYS A 118 -16.093 2.000 26.777 1.00 25.21 H new ATOM 1859 N PHE A 119 -13.769 0.408 27.463 1.00 43.32 N ATOM 1860 CA PHE A 119 -13.260 -0.899 27.831 1.00 41.33 C ATOM 1861 C PHE A 119 -11.891 -0.899 28.491 1.00 54.33 C ATOM 1862 O PHE A 119 -11.709 -1.499 29.552 1.00 20.11 O ATOM 1863 CB PHE A 119 -13.248 -1.739 26.531 1.00 54.40 C ATOM 1864 CG PHE A 119 -12.597 -3.089 26.655 1.00 11.24 C ATOM 1865 CD1 PHE A 119 -11.233 -3.177 26.327 1.00 25.42 C ATOM 1866 CD2 PHE A 119 -13.258 -4.225 27.136 1.00 31.43 C ATOM 1867 CE1 PHE A 119 -10.534 -4.373 26.494 1.00 14.13 C ATOM 1868 CE2 PHE A 119 -12.553 -5.424 27.305 1.00 12.01 C ATOM 1869 CZ PHE A 119 -11.195 -5.500 26.987 1.00 11.22 C ATOM 0 H PHE A 119 -14.011 0.485 26.475 1.00 43.32 H new ATOM 0 HA PHE A 119 -13.910 -1.317 28.600 1.00 41.33 H new ATOM 0 HB2 PHE A 119 -14.276 -1.877 26.195 1.00 54.40 H new ATOM 0 HB3 PHE A 119 -12.733 -1.173 25.755 1.00 54.40 H new ATOM 0 HD1 PHE A 119 -10.720 -2.309 25.941 1.00 25.42 H new ATOM 0 HD2 PHE A 119 -14.310 -4.178 27.377 1.00 31.43 H new ATOM 0 HE1 PHE A 119 -9.485 -4.427 26.243 1.00 14.13 H new ATOM 0 HE2 PHE A 119 -13.064 -6.297 27.684 1.00 12.01 H new ATOM 0 HZ PHE A 119 -10.658 -6.427 27.122 1.00 11.22 H new ATOM 1879 N LYS A 120 -10.902 -0.189 27.906 1.00 64.43 N ATOM 1880 CA LYS A 120 -9.574 -0.100 28.466 1.00 61.11 C ATOM 1881 C LYS A 120 -9.559 0.672 29.775 1.00 22.24 C ATOM 1882 O LYS A 120 -8.671 0.504 30.609 1.00 12.32 O ATOM 1883 CB LYS A 120 -8.549 0.560 27.499 1.00 64.41 C ATOM 1884 CG LYS A 120 -8.299 -0.203 26.181 1.00 40.34 C ATOM 1885 CD LYS A 120 -7.769 -1.633 26.378 1.00 52.51 C ATOM 1886 CE LYS A 120 -7.432 -2.412 25.106 1.00 23.12 C ATOM 1887 NZ LYS A 120 -8.553 -2.348 24.152 1.00 61.24 N ATOM 0 H LYS A 120 -11.021 0.330 27.036 1.00 64.43 H new ATOM 0 HA LYS A 120 -9.276 -1.134 28.642 1.00 61.11 H new ATOM 0 HB2 LYS A 120 -8.897 1.564 27.258 1.00 64.41 H new ATOM 0 HB3 LYS A 120 -7.599 0.669 28.022 1.00 64.41 H new ATOM 0 HG2 LYS A 120 -9.230 -0.246 25.616 1.00 40.34 H new ATOM 0 HG3 LYS A 120 -7.585 0.358 25.578 1.00 40.34 H new ATOM 0 HD2 LYS A 120 -6.873 -1.583 26.996 1.00 52.51 H new ATOM 0 HD3 LYS A 120 -8.513 -2.199 26.939 1.00 52.51 H new ATOM 0 HE2 LYS A 120 -6.532 -2.001 24.648 1.00 23.12 H new ATOM 0 HE3 LYS A 120 -7.217 -3.451 25.355 1.00 23.12 H new ATOM 0 HZ1 LYS A 120 -8.652 -3.265 23.671 1.00 61.24 H new ATOM 0 HZ2 LYS A 120 -9.432 -2.128 24.663 1.00 61.24 H new ATOM 0 HZ3 LYS A 120 -8.367 -1.606 23.447 1.00 61.24 H new ATOM 1901 N ALA A 121 -10.577 1.533 29.986 1.00 15.23 N ATOM 1902 CA ALA A 121 -10.749 2.288 31.213 1.00 13.31 C ATOM 1903 C ALA A 121 -11.032 1.396 32.413 1.00 53.22 C ATOM 1904 O ALA A 121 -10.492 1.569 33.502 1.00 3.15 O ATOM 1905 CB ALA A 121 -11.899 3.303 31.054 1.00 63.32 C ATOM 0 H ALA A 121 -11.302 1.715 29.292 1.00 15.23 H new ATOM 0 HA ALA A 121 -9.808 2.807 31.398 1.00 13.31 H new ATOM 0 HB1 ALA A 121 -12.020 3.864 31.981 1.00 63.32 H new ATOM 0 HB2 ALA A 121 -11.667 3.991 30.241 1.00 63.32 H new ATOM 0 HB3 ALA A 121 -12.824 2.772 30.828 1.00 63.32 H new ATOM 1911 N GLU A 122 -11.914 0.398 32.217 1.00 61.32 N ATOM 1912 CA GLU A 122 -12.279 -0.587 33.206 1.00 52.14 C ATOM 1913 C GLU A 122 -11.153 -1.547 33.580 1.00 55.10 C ATOM 1914 O GLU A 122 -10.889 -1.753 34.756 1.00 20.14 O ATOM 1915 CB GLU A 122 -13.542 -1.317 32.685 1.00 54.44 C ATOM 1916 CG GLU A 122 -14.828 -0.445 32.744 1.00 21.20 C ATOM 1917 CD GLU A 122 -15.339 -0.246 34.172 1.00 23.21 C ATOM 1918 OE1 GLU A 122 -15.314 0.914 34.663 1.00 24.11 O ATOM 1919 OE2 GLU A 122 -15.771 -1.260 34.781 1.00 31.42 O ATOM 0 H GLU A 122 -12.399 0.266 31.329 1.00 61.32 H new ATOM 0 HA GLU A 122 -12.492 -0.081 34.148 1.00 52.14 H new ATOM 0 HB2 GLU A 122 -13.372 -1.631 31.655 1.00 54.44 H new ATOM 0 HB3 GLU A 122 -13.698 -2.222 33.273 1.00 54.44 H new ATOM 0 HG2 GLU A 122 -14.624 0.528 32.296 1.00 21.20 H new ATOM 0 HG3 GLU A 122 -15.608 -0.914 32.145 1.00 21.20 H new ATOM 1926 N ILE A 123 -10.391 -2.111 32.618 1.00 24.31 N ATOM 1927 CA ILE A 123 -9.233 -2.953 32.887 1.00 32.03 C ATOM 1928 C ILE A 123 -8.065 -2.228 33.536 1.00 51.01 C ATOM 1929 O ILE A 123 -7.252 -2.854 34.209 1.00 34.55 O ATOM 1930 CB ILE A 123 -8.766 -3.716 31.657 1.00 72.22 C ATOM 1931 CG1 ILE A 123 -8.212 -2.783 30.570 1.00 73.12 C ATOM 1932 CG2 ILE A 123 -9.922 -4.595 31.129 1.00 5.05 C ATOM 1933 CD1 ILE A 123 -7.828 -3.479 29.267 1.00 51.11 C ATOM 0 H ILE A 123 -10.576 -1.985 31.623 1.00 24.31 H new ATOM 0 HA ILE A 123 -9.597 -3.671 33.622 1.00 32.03 H new ATOM 0 HB ILE A 123 -7.936 -4.362 31.945 1.00 72.22 H new ATOM 0 HG12 ILE A 123 -8.958 -2.019 30.352 1.00 73.12 H new ATOM 0 HG13 ILE A 123 -7.335 -2.269 30.964 1.00 73.12 H new ATOM 0 HG21 ILE A 123 -9.589 -5.143 30.247 1.00 5.05 H new ATOM 0 HG22 ILE A 123 -10.224 -5.301 31.902 1.00 5.05 H new ATOM 0 HG23 ILE A 123 -10.769 -3.962 30.865 1.00 5.05 H new ATOM 0 HD11 ILE A 123 -7.447 -2.742 28.559 1.00 51.11 H new ATOM 0 HD12 ILE A 123 -7.057 -4.223 29.466 1.00 51.11 H new ATOM 0 HD13 ILE A 123 -8.705 -3.969 28.844 1.00 51.11 H new ATOM 1945 N HIS A 124 -7.979 -0.883 33.398 1.00 63.11 N ATOM 1946 CA HIS A 124 -7.070 -0.034 34.153 1.00 41.10 C ATOM 1947 C HIS A 124 -7.353 -0.091 35.651 1.00 5.24 C ATOM 1948 O HIS A 124 -6.436 -0.108 36.468 1.00 55.24 O ATOM 1949 CB HIS A 124 -7.145 1.442 33.676 1.00 24.23 C ATOM 1950 CG HIS A 124 -6.179 2.373 34.357 1.00 44.02 C ATOM 1951 ND1 HIS A 124 -4.832 2.321 34.137 1.00 52.11 N ATOM 1952 CD2 HIS A 124 -6.393 3.347 35.269 1.00 20.12 C ATOM 1953 CE1 HIS A 124 -4.244 3.234 34.889 1.00 61.40 C ATOM 1954 NE2 HIS A 124 -5.169 3.869 35.585 1.00 25.43 N ATOM 0 H HIS A 124 -8.559 -0.362 32.740 1.00 63.11 H new ATOM 0 HA HIS A 124 -6.067 -0.419 33.971 1.00 41.10 H new ATOM 0 HB2 HIS A 124 -6.962 1.472 32.602 1.00 24.23 H new ATOM 0 HB3 HIS A 124 -8.158 1.810 33.837 1.00 24.23 H new ATOM 0 HD2 HIS A 124 -7.347 3.654 35.671 1.00 20.12 H new ATOM 0 HE1 HIS A 124 -3.182 3.429 34.928 1.00 61.40 H new ATOM 0 HE2 HIS A 124 -4.999 4.624 36.249 1.00 25.43 H new ATOM 1963 N LYS A 125 -8.653 -0.095 36.042 1.00 4.13 N ATOM 1964 CA LYS A 125 -9.092 -0.060 37.431 1.00 35.55 C ATOM 1965 C LYS A 125 -8.823 -1.365 38.182 1.00 72.23 C ATOM 1966 O LYS A 125 -8.678 -1.390 39.403 1.00 62.11 O ATOM 1967 CB LYS A 125 -10.603 0.330 37.512 1.00 63.12 C ATOM 1968 CG LYS A 125 -11.644 -0.799 37.678 1.00 10.00 C ATOM 1969 CD LYS A 125 -13.086 -0.388 37.321 1.00 63.14 C ATOM 1970 CE LYS A 125 -13.601 0.860 38.036 1.00 43.42 C ATOM 1971 NZ LYS A 125 -15.011 1.091 37.661 1.00 41.13 N ATOM 0 H LYS A 125 -9.426 -0.123 35.378 1.00 4.13 H new ATOM 0 HA LYS A 125 -8.496 0.704 37.930 1.00 35.55 H new ATOM 0 HB2 LYS A 125 -10.724 1.019 38.348 1.00 63.12 H new ATOM 0 HB3 LYS A 125 -10.853 0.882 36.606 1.00 63.12 H new ATOM 0 HG2 LYS A 125 -11.353 -1.641 37.051 1.00 10.00 H new ATOM 0 HG3 LYS A 125 -11.623 -1.148 38.710 1.00 10.00 H new ATOM 0 HD2 LYS A 125 -13.144 -0.221 36.245 1.00 63.14 H new ATOM 0 HD3 LYS A 125 -13.752 -1.220 37.551 1.00 63.14 H new ATOM 0 HE2 LYS A 125 -13.516 0.736 39.116 1.00 43.42 H new ATOM 0 HE3 LYS A 125 -12.995 1.724 37.766 1.00 43.42 H new ATOM 0 HZ1 LYS A 125 -15.304 2.038 37.977 1.00 41.13 H new ATOM 0 HZ2 LYS A 125 -15.111 1.024 36.628 1.00 41.13 H new ATOM 0 HZ3 LYS A 125 -15.613 0.374 38.114 1.00 41.13 H new ATOM 1985 N LEU A 126 -8.786 -2.491 37.435 1.00 44.42 N ATOM 1986 CA LEU A 126 -8.648 -3.855 37.908 1.00 23.14 C ATOM 1987 C LEU A 126 -7.294 -4.196 38.506 1.00 53.04 C ATOM 1988 O LEU A 126 -6.256 -3.619 38.198 1.00 54.12 O ATOM 1989 CB LEU A 126 -8.966 -4.864 36.770 1.00 51.33 C ATOM 1990 CG LEU A 126 -10.436 -4.807 36.295 1.00 1.52 C ATOM 1991 CD1 LEU A 126 -10.632 -5.482 34.931 1.00 14.53 C ATOM 1992 CD2 LEU A 126 -11.396 -5.426 37.321 1.00 62.33 C ATOM 0 H LEU A 126 -8.858 -2.450 36.418 1.00 44.42 H new ATOM 0 HA LEU A 126 -9.371 -3.936 38.720 1.00 23.14 H new ATOM 0 HB2 LEU A 126 -8.310 -4.664 35.923 1.00 51.33 H new ATOM 0 HB3 LEU A 126 -8.742 -5.873 37.116 1.00 51.33 H new ATOM 0 HG LEU A 126 -10.674 -3.748 36.191 1.00 1.52 H new ATOM 0 HD11 LEU A 126 -11.680 -5.416 34.640 1.00 14.53 H new ATOM 0 HD12 LEU A 126 -10.016 -4.980 34.185 1.00 14.53 H new ATOM 0 HD13 LEU A 126 -10.339 -6.530 34.998 1.00 14.53 H new ATOM 0 HD21 LEU A 126 -12.418 -5.365 36.946 1.00 62.33 H new ATOM 0 HD22 LEU A 126 -11.131 -6.471 37.483 1.00 62.33 H new ATOM 0 HD23 LEU A 126 -11.322 -4.883 38.263 1.00 62.33 H new ATOM 2004 N ASP A 127 -7.300 -5.192 39.422 1.00 72.34 N ATOM 2005 CA ASP A 127 -6.136 -5.632 40.168 1.00 42.42 C ATOM 2006 C ASP A 127 -5.327 -6.680 39.394 1.00 3.42 C ATOM 2007 O ASP A 127 -4.313 -7.169 39.884 1.00 0.20 O ATOM 2008 CB ASP A 127 -6.618 -6.165 41.551 1.00 61.04 C ATOM 2009 CG ASP A 127 -5.483 -6.405 42.549 1.00 42.43 C ATOM 2010 OD1 ASP A 127 -5.365 -7.560 43.034 1.00 34.43 O ATOM 2011 OD2 ASP A 127 -4.763 -5.422 42.861 1.00 11.31 O ATOM 0 H ASP A 127 -8.144 -5.714 39.656 1.00 72.34 H new ATOM 0 HA ASP A 127 -5.457 -4.793 40.321 1.00 42.42 H new ATOM 0 HB2 ASP A 127 -7.322 -5.452 41.980 1.00 61.04 H new ATOM 0 HB3 ASP A 127 -7.161 -7.098 41.401 1.00 61.04 H new ATOM 2016 N TRP A 128 -5.754 -7.041 38.166 1.00 74.10 N ATOM 2017 CA TRP A 128 -5.042 -7.969 37.305 1.00 15.22 C ATOM 2018 C TRP A 128 -4.921 -7.312 35.946 1.00 2.52 C ATOM 2019 O TRP A 128 -5.726 -6.449 35.599 1.00 51.11 O ATOM 2020 CB TRP A 128 -5.760 -9.349 37.165 1.00 14.12 C ATOM 2021 CG TRP A 128 -7.124 -9.263 36.504 1.00 63.43 C ATOM 2022 CD1 TRP A 128 -8.252 -8.712 37.028 1.00 13.12 C ATOM 2023 CD2 TRP A 128 -7.423 -9.595 35.135 1.00 64.23 C ATOM 2024 NE1 TRP A 128 -9.224 -8.610 36.060 1.00 60.23 N ATOM 2025 CE2 TRP A 128 -8.737 -9.147 34.889 1.00 4.31 C ATOM 2026 CE3 TRP A 128 -6.667 -10.199 34.133 1.00 64.21 C ATOM 2027 CZ2 TRP A 128 -9.315 -9.282 33.632 1.00 11.04 C ATOM 2028 CZ3 TRP A 128 -7.262 -10.363 32.873 1.00 71.51 C ATOM 2029 CH2 TRP A 128 -8.561 -9.895 32.619 1.00 34.12 C ATOM 0 H TRP A 128 -6.615 -6.684 37.752 1.00 74.10 H new ATOM 0 HA TRP A 128 -4.068 -8.181 37.746 1.00 15.22 H new ATOM 0 HB2 TRP A 128 -5.127 -10.021 36.585 1.00 14.12 H new ATOM 0 HB3 TRP A 128 -5.873 -9.792 38.155 1.00 14.12 H new ATOM 0 HD1 TRP A 128 -8.368 -8.400 38.055 1.00 13.12 H new ATOM 0 HE1 TRP A 128 -10.151 -8.204 36.188 1.00 60.23 H new ATOM 0 HE3 TRP A 128 -5.656 -10.530 34.320 1.00 64.21 H new ATOM 0 HZ2 TRP A 128 -10.316 -8.925 33.440 1.00 11.04 H new ATOM 0 HZ3 TRP A 128 -6.712 -10.857 32.086 1.00 71.51 H new ATOM 0 HH2 TRP A 128 -8.985 -10.008 31.632 1.00 34.12 H new ATOM 2040 N ALA A 129 -3.909 -7.702 35.143 1.00 63.23 N ATOM 2041 CA ALA A 129 -3.712 -7.133 33.831 1.00 34.23 C ATOM 2042 C ALA A 129 -3.931 -8.170 32.733 1.00 44.43 C ATOM 2043 O ALA A 129 -3.191 -9.156 32.696 1.00 1.30 O ATOM 2044 CB ALA A 129 -2.293 -6.558 33.699 1.00 21.23 C ATOM 0 H ALA A 129 -3.223 -8.413 35.399 1.00 63.23 H new ATOM 0 HA ALA A 129 -4.446 -6.335 33.713 1.00 34.23 H new ATOM 0 HB1 ALA A 129 -2.164 -6.134 32.703 1.00 21.23 H new ATOM 0 HB2 ALA A 129 -2.145 -5.779 34.447 1.00 21.23 H new ATOM 0 HB3 ALA A 129 -1.563 -7.353 33.853 1.00 21.23 H new ATOM 2050 N PRO A 130 -4.881 -8.029 31.805 1.00 14.10 N ATOM 2051 CA PRO A 130 -4.796 -8.664 30.491 1.00 24.54 C ATOM 2052 C PRO A 130 -3.703 -7.980 29.681 1.00 24.43 C ATOM 2053 O PRO A 130 -3.387 -6.814 29.917 1.00 10.22 O ATOM 2054 CB PRO A 130 -6.187 -8.415 29.888 1.00 60.15 C ATOM 2055 CG PRO A 130 -6.642 -7.096 30.518 1.00 70.04 C ATOM 2056 CD PRO A 130 -6.040 -7.134 31.920 1.00 34.32 C ATOM 0 HA PRO A 130 -4.547 -9.725 30.517 1.00 24.54 H new ATOM 0 HB2 PRO A 130 -6.142 -8.342 28.801 1.00 60.15 H new ATOM 0 HB3 PRO A 130 -6.874 -9.227 30.125 1.00 60.15 H new ATOM 0 HG2 PRO A 130 -6.282 -6.237 29.951 1.00 70.04 H new ATOM 0 HG3 PRO A 130 -7.729 -7.023 30.551 1.00 70.04 H new ATOM 0 HD2 PRO A 130 -5.741 -6.139 32.249 1.00 34.32 H new ATOM 0 HD3 PRO A 130 -6.758 -7.508 32.649 1.00 34.32 H new ATOM 2064 N THR A 131 -3.099 -8.693 28.711 1.00 25.34 N ATOM 2065 CA THR A 131 -2.142 -8.120 27.777 1.00 72.13 C ATOM 2066 C THR A 131 -2.952 -7.527 26.644 1.00 24.10 C ATOM 2067 O THR A 131 -4.146 -7.803 26.525 1.00 61.44 O ATOM 2068 CB THR A 131 -1.117 -9.119 27.219 1.00 52.52 C ATOM 2069 OG1 THR A 131 -1.627 -10.052 26.271 1.00 3.10 O ATOM 2070 CG2 THR A 131 -0.625 -9.981 28.391 1.00 34.24 C ATOM 0 H THR A 131 -3.270 -9.687 28.562 1.00 25.34 H new ATOM 0 HA THR A 131 -1.545 -7.380 28.310 1.00 72.13 H new ATOM 0 HB THR A 131 -0.360 -8.511 26.724 1.00 52.52 H new ATOM 0 HG1 THR A 131 -0.905 -10.643 25.972 1.00 3.10 H new ATOM 0 HG21 THR A 131 0.106 -10.704 28.029 1.00 34.24 H new ATOM 0 HG22 THR A 131 -0.163 -9.342 29.143 1.00 34.24 H new ATOM 0 HG23 THR A 131 -1.469 -10.510 28.833 1.00 34.24 H new ATOM 2078 N LEU A 132 -2.343 -6.730 25.737 1.00 34.12 N ATOM 2079 CA LEU A 132 -3.065 -6.181 24.599 1.00 30.25 C ATOM 2080 C LEU A 132 -3.608 -7.265 23.684 1.00 74.21 C ATOM 2081 O LEU A 132 -4.696 -7.112 23.142 1.00 42.45 O ATOM 2082 CB LEU A 132 -2.237 -5.181 23.742 1.00 12.05 C ATOM 2083 CG LEU A 132 -1.923 -3.809 24.397 1.00 63.12 C ATOM 2084 CD1 LEU A 132 -3.182 -3.101 24.931 1.00 60.41 C ATOM 2085 CD2 LEU A 132 -0.822 -3.862 25.470 1.00 25.20 C ATOM 0 H LEU A 132 -1.360 -6.462 25.782 1.00 34.12 H new ATOM 0 HA LEU A 132 -3.888 -5.631 25.055 1.00 30.25 H new ATOM 0 HB2 LEU A 132 -1.293 -5.658 23.477 1.00 12.05 H new ATOM 0 HB3 LEU A 132 -2.775 -5.001 22.812 1.00 12.05 H new ATOM 0 HG LEU A 132 -1.524 -3.207 23.580 1.00 63.12 H new ATOM 0 HD11 LEU A 132 -2.901 -2.147 25.378 1.00 60.41 H new ATOM 0 HD12 LEU A 132 -3.877 -2.926 24.110 1.00 60.41 H new ATOM 0 HD13 LEU A 132 -3.660 -3.728 25.684 1.00 60.41 H new ATOM 0 HD21 LEU A 132 -0.663 -2.864 25.878 1.00 25.20 H new ATOM 0 HD22 LEU A 132 -1.126 -4.537 26.270 1.00 25.20 H new ATOM 0 HD23 LEU A 132 0.104 -4.223 25.023 1.00 25.20 H new ATOM 2097 N ASP A 133 -2.901 -8.413 23.541 1.00 60.33 N ATOM 2098 CA ASP A 133 -3.315 -9.518 22.686 1.00 25.02 C ATOM 2099 C ASP A 133 -4.666 -10.100 23.105 1.00 3.54 C ATOM 2100 O ASP A 133 -5.499 -10.401 22.261 1.00 54.23 O ATOM 2101 CB ASP A 133 -2.272 -10.667 22.722 1.00 13.43 C ATOM 2102 CG ASP A 133 -0.956 -10.223 22.103 1.00 11.13 C ATOM 2103 OD1 ASP A 133 0.049 -10.177 22.861 1.00 64.01 O ATOM 2104 OD2 ASP A 133 -0.940 -9.929 20.882 1.00 2.32 O ATOM 0 H ASP A 133 -2.021 -8.585 24.027 1.00 60.33 H new ATOM 0 HA ASP A 133 -3.398 -9.106 21.680 1.00 25.02 H new ATOM 0 HB2 ASP A 133 -2.106 -10.981 23.752 1.00 13.43 H new ATOM 0 HB3 ASP A 133 -2.659 -11.532 22.183 1.00 13.43 H new ATOM 2109 N VAL A 134 -4.896 -10.252 24.423 1.00 41.32 N ATOM 2110 CA VAL A 134 -6.127 -10.743 25.039 1.00 61.13 C ATOM 2111 C VAL A 134 -7.149 -9.655 25.262 1.00 15.05 C ATOM 2112 O VAL A 134 -8.321 -9.835 24.924 1.00 63.43 O ATOM 2113 CB VAL A 134 -5.900 -11.584 26.289 1.00 12.04 C ATOM 2114 CG1 VAL A 134 -4.774 -11.044 27.145 1.00 75.21 C ATOM 2115 CG2 VAL A 134 -7.175 -11.882 27.109 1.00 24.23 C ATOM 0 H VAL A 134 -4.185 -10.021 25.117 1.00 41.32 H new ATOM 0 HA VAL A 134 -6.551 -11.424 24.301 1.00 61.13 H new ATOM 0 HB VAL A 134 -5.586 -12.558 25.914 1.00 12.04 H new ATOM 0 HG11 VAL A 134 -4.650 -11.676 28.024 1.00 75.21 H new ATOM 0 HG12 VAL A 134 -3.849 -11.039 26.568 1.00 75.21 H new ATOM 0 HG13 VAL A 134 -5.011 -10.028 27.460 1.00 75.21 H new ATOM 0 HG21 VAL A 134 -6.915 -12.485 27.979 1.00 24.23 H new ATOM 0 HG22 VAL A 134 -7.623 -10.945 27.438 1.00 24.23 H new ATOM 0 HG23 VAL A 134 -7.887 -12.427 26.489 1.00 24.23 H new ATOM 2125 N ALA A 135 -6.739 -8.472 25.783 1.00 62.22 N ATOM 2126 CA ALA A 135 -7.634 -7.352 25.996 1.00 32.22 C ATOM 2127 C ALA A 135 -8.229 -6.810 24.719 1.00 21.23 C ATOM 2128 O ALA A 135 -9.441 -6.630 24.639 1.00 13.04 O ATOM 2129 CB ALA A 135 -6.915 -6.205 26.729 1.00 32.11 C ATOM 0 H ALA A 135 -5.775 -8.287 26.061 1.00 62.22 H new ATOM 0 HA ALA A 135 -8.449 -7.743 26.606 1.00 32.22 H new ATOM 0 HB1 ALA A 135 -7.608 -5.377 26.877 1.00 32.11 H new ATOM 0 HB2 ALA A 135 -6.560 -6.558 27.697 1.00 32.11 H new ATOM 0 HB3 ALA A 135 -6.067 -5.867 26.133 1.00 32.11 H new ATOM 2135 N VAL A 136 -7.426 -6.587 23.649 1.00 55.33 N ATOM 2136 CA VAL A 136 -8.030 -6.176 22.396 1.00 25.20 C ATOM 2137 C VAL A 136 -8.612 -7.401 21.746 1.00 70.55 C ATOM 2138 O VAL A 136 -9.572 -7.310 20.991 1.00 52.43 O ATOM 2139 CB VAL A 136 -7.124 -5.505 21.362 1.00 52.32 C ATOM 2140 CG1 VAL A 136 -6.276 -4.397 22.018 1.00 44.42 C ATOM 2141 CG2 VAL A 136 -6.339 -6.433 20.412 1.00 75.13 C ATOM 0 H VAL A 136 -6.411 -6.683 23.641 1.00 55.33 H new ATOM 0 HA VAL A 136 -8.752 -5.410 22.680 1.00 25.20 H new ATOM 0 HB VAL A 136 -7.806 -5.035 20.653 1.00 52.32 H new ATOM 0 HG11 VAL A 136 -5.639 -3.933 21.265 1.00 44.42 H new ATOM 0 HG12 VAL A 136 -6.934 -3.644 22.451 1.00 44.42 H new ATOM 0 HG13 VAL A 136 -5.655 -4.830 22.802 1.00 44.42 H new ATOM 0 HG21 VAL A 136 -5.737 -5.831 19.731 1.00 75.13 H new ATOM 0 HG22 VAL A 136 -5.687 -7.083 20.995 1.00 75.13 H new ATOM 0 HG23 VAL A 136 -7.038 -7.041 19.838 1.00 75.13 H new ATOM 2151 N GLY A 137 -8.025 -8.598 22.000 1.00 12.21 N ATOM 2152 CA GLY A 137 -8.422 -9.794 21.282 1.00 22.34 C ATOM 2153 C GLY A 137 -9.832 -10.219 21.531 1.00 44.24 C ATOM 2154 O GLY A 137 -10.525 -10.589 20.591 1.00 75.41 O ATOM 0 H GLY A 137 -7.287 -8.741 22.690 1.00 12.21 H new ATOM 0 HA2 GLY A 137 -8.289 -9.624 20.214 1.00 22.34 H new ATOM 0 HA3 GLY A 137 -7.754 -10.609 21.560 1.00 22.34 H new ATOM 2158 N GLU A 138 -10.320 -10.157 22.793 1.00 43.31 N ATOM 2159 CA GLU A 138 -11.716 -10.453 23.075 1.00 54.21 C ATOM 2160 C GLU A 138 -12.680 -9.464 22.423 1.00 5.20 C ATOM 2161 O GLU A 138 -13.739 -9.856 21.932 1.00 55.22 O ATOM 2162 CB GLU A 138 -12.033 -10.556 24.588 1.00 21.14 C ATOM 2163 CG GLU A 138 -11.182 -11.672 25.234 1.00 34.14 C ATOM 2164 CD GLU A 138 -11.843 -12.315 26.446 1.00 21.44 C ATOM 2165 OE1 GLU A 138 -11.295 -12.167 27.564 1.00 50.02 O ATOM 2166 OE2 GLU A 138 -12.852 -13.033 26.233 1.00 30.20 O ATOM 0 H GLU A 138 -9.764 -9.907 23.611 1.00 43.31 H new ATOM 0 HA GLU A 138 -11.871 -11.436 22.629 1.00 54.21 H new ATOM 0 HB2 GLU A 138 -11.828 -9.603 25.076 1.00 21.14 H new ATOM 0 HB3 GLU A 138 -13.093 -10.767 24.732 1.00 21.14 H new ATOM 0 HG2 GLU A 138 -10.980 -12.442 24.489 1.00 34.14 H new ATOM 0 HG3 GLU A 138 -10.219 -11.257 25.532 1.00 34.14 H new ATOM 2173 N LEU A 139 -12.310 -8.160 22.375 1.00 73.51 N ATOM 2174 CA LEU A 139 -13.041 -7.115 21.684 1.00 3.22 C ATOM 2175 C LEU A 139 -13.097 -7.318 20.222 1.00 1.43 C ATOM 2176 O LEU A 139 -14.162 -7.280 19.608 1.00 52.13 O ATOM 2177 CB LEU A 139 -12.353 -5.737 21.765 1.00 75.13 C ATOM 2178 CG LEU A 139 -12.463 -5.021 23.085 1.00 11.24 C ATOM 2179 CD1 LEU A 139 -11.577 -3.769 23.044 1.00 31.00 C ATOM 2180 CD2 LEU A 139 -13.926 -4.621 23.249 1.00 42.31 C ATOM 0 H LEU A 139 -11.467 -7.816 22.835 1.00 73.51 H new ATOM 0 HA LEU A 139 -14.013 -7.153 22.175 1.00 3.22 H new ATOM 0 HB2 LEU A 139 -11.296 -5.866 21.531 1.00 75.13 H new ATOM 0 HB3 LEU A 139 -12.775 -5.096 20.990 1.00 75.13 H new ATOM 0 HG LEU A 139 -12.141 -5.650 23.915 1.00 11.24 H new ATOM 0 HD11 LEU A 139 -11.648 -3.242 23.995 1.00 31.00 H new ATOM 0 HD12 LEU A 139 -10.542 -4.061 22.868 1.00 31.00 H new ATOM 0 HD13 LEU A 139 -11.911 -3.113 22.240 1.00 31.00 H new ATOM 0 HD21 LEU A 139 -14.056 -4.097 24.196 1.00 42.31 H new ATOM 0 HD22 LEU A 139 -14.218 -3.966 22.428 1.00 42.31 H new ATOM 0 HD23 LEU A 139 -14.551 -5.514 23.240 1.00 42.31 H new ATOM 2192 N LEU A 140 -11.905 -7.527 19.635 1.00 31.43 N ATOM 2193 CA LEU A 140 -11.841 -7.697 18.211 1.00 53.24 C ATOM 2194 C LEU A 140 -12.467 -9.007 17.764 1.00 25.22 C ATOM 2195 O LEU A 140 -13.182 -9.059 16.768 1.00 74.52 O ATOM 2196 CB LEU A 140 -10.404 -7.552 17.661 1.00 20.03 C ATOM 2197 CG LEU A 140 -9.794 -6.138 17.818 1.00 15.44 C ATOM 2198 CD1 LEU A 140 -8.428 -6.059 17.115 1.00 34.03 C ATOM 2199 CD2 LEU A 140 -10.707 -4.957 17.464 1.00 75.33 C ATOM 0 H LEU A 140 -11.011 -7.578 20.124 1.00 31.43 H new ATOM 0 HA LEU A 140 -12.431 -6.886 17.785 1.00 53.24 H new ATOM 0 HB2 LEU A 140 -9.760 -8.270 18.169 1.00 20.03 H new ATOM 0 HB3 LEU A 140 -10.405 -7.818 16.604 1.00 20.03 H new ATOM 0 HG LEU A 140 -9.656 -6.012 18.892 1.00 15.44 H new ATOM 0 HD11 LEU A 140 -8.014 -5.058 17.236 1.00 34.03 H new ATOM 0 HD12 LEU A 140 -7.749 -6.788 17.557 1.00 34.03 H new ATOM 0 HD13 LEU A 140 -8.552 -6.275 16.054 1.00 34.03 H new ATOM 0 HD21 LEU A 140 -10.167 -4.022 17.614 1.00 75.33 H new ATOM 0 HD22 LEU A 140 -11.015 -5.035 16.421 1.00 75.33 H new ATOM 0 HD23 LEU A 140 -11.589 -4.974 18.105 1.00 75.33 H new ATOM 2211 N ALA A 141 -12.275 -10.113 18.515 1.00 53.33 N ATOM 2212 CA ALA A 141 -12.962 -11.350 18.225 1.00 51.42 C ATOM 2213 C ALA A 141 -14.480 -11.234 18.319 1.00 3.24 C ATOM 2214 O ALA A 141 -15.179 -11.724 17.437 1.00 3.21 O ATOM 2215 CB ALA A 141 -12.482 -12.472 19.166 1.00 12.00 C ATOM 0 H ALA A 141 -11.649 -10.155 19.319 1.00 53.33 H new ATOM 0 HA ALA A 141 -12.716 -11.592 17.191 1.00 51.42 H new ATOM 0 HB1 ALA A 141 -13.012 -13.395 18.931 1.00 12.00 H new ATOM 0 HB2 ALA A 141 -11.411 -12.624 19.034 1.00 12.00 H new ATOM 0 HB3 ALA A 141 -12.684 -12.191 20.200 1.00 12.00 H new ATOM 2221 N ASP A 142 -15.038 -10.560 19.351 1.00 71.13 N ATOM 2222 CA ASP A 142 -16.474 -10.410 19.503 1.00 52.02 C ATOM 2223 C ASP A 142 -16.987 -9.124 18.842 1.00 5.32 C ATOM 2224 O ASP A 142 -17.935 -8.515 19.331 1.00 23.50 O ATOM 2225 CB ASP A 142 -16.820 -10.451 21.024 1.00 13.15 C ATOM 2226 CG ASP A 142 -18.309 -10.622 21.325 1.00 0.01 C ATOM 2227 OD1 ASP A 142 -18.858 -9.804 22.116 1.00 41.32 O ATOM 2228 OD2 ASP A 142 -18.900 -11.600 20.799 1.00 64.34 O ATOM 0 H ASP A 142 -14.495 -10.113 20.090 1.00 71.13 H new ATOM 0 HA ASP A 142 -16.976 -11.232 18.993 1.00 52.02 H new ATOM 0 HB2 ASP A 142 -16.271 -11.270 21.488 1.00 13.15 H new ATOM 0 HB3 ASP A 142 -16.470 -9.529 21.489 1.00 13.15 H new ATOM 2233 N THR A 143 -16.409 -8.668 17.703 1.00 11.44 N ATOM 2234 CA THR A 143 -16.891 -7.453 17.030 1.00 13.30 C ATOM 2235 C THR A 143 -18.338 -7.563 16.463 1.00 50.34 C ATOM 2236 O THR A 143 -18.657 -8.577 15.783 1.00 0.00 O ATOM 2237 CB THR A 143 -15.949 -6.944 15.927 1.00 60.54 C ATOM 2238 OG1 THR A 143 -16.426 -5.721 15.382 1.00 34.23 O ATOM 2239 CG2 THR A 143 -15.752 -7.951 14.774 1.00 23.23 C ATOM 2240 OXT THR A 143 -19.146 -6.634 16.739 1.00 0.00 O ATOM 0 H THR A 143 -15.620 -9.121 17.242 1.00 11.44 H new ATOM 0 HA THR A 143 -16.906 -6.721 17.837 1.00 13.30 H new ATOM 0 HB THR A 143 -14.984 -6.799 16.413 1.00 60.54 H new ATOM 0 HG1 THR A 143 -15.812 -5.413 14.683 1.00 34.23 H new ATOM 0 HG21 THR A 143 -15.076 -7.526 14.032 1.00 23.23 H new ATOM 0 HG22 THR A 143 -15.326 -8.875 15.166 1.00 23.23 H new ATOM 0 HG23 THR A 143 -16.714 -8.164 14.309 1.00 23.23 H new