USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 838 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: B 13 LYS NZ :NH3+ -155:sc= 0.441 (180deg=-2.06!) USER MOD Set 1.2: B 81 ASN : amide:sc= -0.646! C(o=2.2!,f=-5.5!) USER MOD Set 1.3: B 83 SER OG : rot -61:sc= 1.19 USER MOD Set 1.4: B 84 THR OG1 : rot 37:sc= 1.21 USER MOD Set 2.1: B 56 SER OG : rot 150:sc= -0.353 USER MOD Set 2.2: B 64 GLN : amide:sc= -3.57! C(o=-3.9!,f=-5.3!) USER MOD Set 3.1: B 54 LYS NZ :NH3+ 168:sc= 0.469 (180deg=-0.493) USER MOD Set 3.2: B 66 GLN : amide:sc= -2.08 K(o=-7.3,f=-13!) USER MOD Set 3.3: B 76 ASN :FLIP amide:sc= -5.66! C(o=-8.7!,f=-7.3!) USER MOD Set 4.1: B 45 HIS : no HE2:sc= -2.47 K(o=-2.5,f=-5.9!) USER MOD Set 4.2: B 75 THR OG1 : rot 170:sc= 0 USER MOD Set 5.1: B 20 GLN : amide:sc= -0.762! K(o=1.8!,f=-5.4) USER MOD Set 5.2: B 38 LYS NZ :NH3+ -140:sc= 2.56 (180deg=0.854) USER MOD Set 6.1: B 17 GLN : amide:sc= 0.923 K(o=0.22,f=-6.2!) USER MOD Set 6.2: B 18 LYS NZ :NH3+ 155:sc= -0.706 (180deg=-1.55) USER MOD Single : A 404 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -150:sc= 0.558 (180deg=-1.25!) USER MOD Single : B 19 LYS NZ :NH3+ -162:sc=-0.00329 (180deg=-0.377) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 172:sc= 0 (180deg=-0.154) USER MOD Single : B 42 THR OG1 : rot 76:sc= -0.0416 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -155:sc= -0.236 (180deg=-0.945) USER MOD Single : B 47 TYR OH : rot 160:sc= 1.23 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 180:sc= -1.99! USER MOD Single : B 53 GLN : amide:sc= -0.862 K(o=-0.86,f=-2.3!) USER MOD Single : B 60 LYS NZ :NH3+ 179:sc= 3.14 (180deg=3.13) USER MOD Single : B 62 LYS NZ :NH3+ -165:sc= 0.988 (180deg=0.528) USER MOD Single : B 70 HIS : no HE2:sc= -5.61! C(o=-5.6!,f=-9.5!) USER MOD Single : B 74 THR OG1 : rot 42:sc= 0.00994 USER MOD Single : B 78 HIS : no HE2:sc= -2.31 X(o=-2.3,f=-2.7) USER MOD Single : B 80 SER OG : rot 155:sc= 0.54 USER MOD Single : B 87 LYS NZ :NH3+ 167:sc= 1.2 (180deg=0.857) USER MOD Single : B 93 LYS NZ :NH3+ -153:sc= 2.29 (180deg=2.09) USER MOD Single : B 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 98 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.76) USER MOD Single : B 102 LYS NZ :NH3+ -151:sc= 1.22 (180deg=0.514) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.792 12.357 11.815 1.00 0.00 N ATOM 102 CA GLU A 399 0.531 12.024 12.473 1.00 0.00 C ATOM 103 C GLU A 399 -0.027 10.704 11.984 1.00 0.00 C ATOM 104 O GLU A 399 0.184 10.319 10.832 1.00 0.00 O ATOM 105 CB GLU A 399 -0.496 13.112 12.201 1.00 0.00 C ATOM 106 CG GLU A 399 -0.834 13.958 13.404 1.00 0.00 C ATOM 107 CD GLU A 399 -1.559 15.228 13.015 1.00 0.00 C ATOM 108 OE1 GLU A 399 -0.914 16.129 12.432 1.00 0.00 O ATOM 109 OE2 GLU A 399 -2.780 15.313 13.262 1.00 0.00 O ATOM 0 HA GLU A 399 0.734 11.944 13.541 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -0.121 13.760 11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -1.410 12.649 11.828 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -1.454 13.382 14.090 1.00 0.00 H new ATOM 0 HG3 GLU A 399 0.082 14.212 13.938 1.00 0.00 H new ATOM 116 N ASP A 400 -0.757 10.026 12.867 1.00 0.00 N ATOM 117 CA ASP A 400 -1.380 8.751 12.545 1.00 0.00 C ATOM 118 C ASP A 400 -2.108 8.183 13.765 1.00 0.00 C ATOM 119 O ASP A 400 -1.621 7.272 14.430 1.00 0.00 O ATOM 120 CB ASP A 400 -0.343 7.730 12.035 1.00 0.00 C ATOM 121 CG ASP A 400 0.801 7.474 13.011 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.599 8.398 13.252 1.00 0.00 O ATOM 123 OD2 ASP A 400 0.898 6.348 13.546 1.00 0.00 O ATOM 0 H ASP A 400 -0.931 10.346 13.820 1.00 0.00 H new ATOM 0 HA ASP A 400 -2.103 8.933 11.749 1.00 0.00 H new ATOM 0 HB2 ASP A 400 -0.848 6.787 11.826 1.00 0.00 H new ATOM 0 HB3 ASP A 400 0.070 8.086 11.091 1.00 0.00 H new ATOM 128 N ASP A 401 -3.279 8.710 14.073 1.00 0.00 N ATOM 129 CA ASP A 401 -4.007 8.232 15.256 1.00 0.00 C ATOM 130 C ASP A 401 -5.496 8.065 15.008 1.00 0.00 C ATOM 131 O ASP A 401 -6.053 7.007 15.287 1.00 0.00 O ATOM 132 CB ASP A 401 -3.784 9.176 16.447 1.00 0.00 C ATOM 133 CG ASP A 401 -2.781 10.276 16.147 1.00 0.00 C ATOM 134 OD1 ASP A 401 -3.177 11.295 15.541 1.00 0.00 O ATOM 135 OD2 ASP A 401 -1.590 10.105 16.487 1.00 0.00 O ATOM 0 H ASP A 401 -3.744 9.448 13.544 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.603 7.246 15.486 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -4.735 9.626 16.731 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -3.437 8.598 17.303 1.00 0.00 H new ATOM 140 N ASP A 402 -6.138 9.094 14.476 1.00 0.00 N ATOM 141 CA ASP A 402 -7.574 9.044 14.185 1.00 0.00 C ATOM 142 C ASP A 402 -7.839 8.149 12.984 1.00 0.00 C ATOM 143 O ASP A 402 -8.950 8.092 12.463 1.00 0.00 O ATOM 144 CB ASP A 402 -8.111 10.449 13.913 1.00 0.00 C ATOM 145 CG ASP A 402 -7.101 11.307 13.191 1.00 0.00 C ATOM 146 OD1 ASP A 402 -6.672 10.923 12.081 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.695 12.344 13.756 1.00 0.00 O ATOM 0 H ASP A 402 -5.691 9.979 14.234 1.00 0.00 H new ATOM 0 HA ASP A 402 -8.087 8.632 15.054 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -9.021 10.381 13.317 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -8.382 10.923 14.856 1.00 0.00 H new ATOM 152 N PHE A 403 -6.796 7.444 12.573 1.00 0.00 N ATOM 153 CA PHE A 403 -6.837 6.536 11.461 1.00 0.00 C ATOM 154 C PHE A 403 -7.989 5.548 11.599 1.00 0.00 C ATOM 155 O PHE A 403 -8.123 4.869 12.613 1.00 0.00 O ATOM 156 CB PHE A 403 -5.527 5.790 11.433 1.00 0.00 C ATOM 157 CG PHE A 403 -4.589 6.204 10.357 1.00 0.00 C ATOM 158 CD1 PHE A 403 -4.944 6.060 9.038 1.00 0.00 C ATOM 159 CD2 PHE A 403 -3.336 6.686 10.666 1.00 0.00 C ATOM 160 CE1 PHE A 403 -4.067 6.385 8.035 1.00 0.00 C ATOM 161 CE2 PHE A 403 -2.455 7.024 9.666 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.820 6.869 8.349 1.00 0.00 C ATOM 0 H PHE A 403 -5.881 7.496 13.021 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.991 7.094 10.537 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -5.032 5.920 12.395 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -5.735 4.726 11.323 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -5.926 5.686 8.788 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -3.044 6.799 11.700 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -4.356 6.261 7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -1.478 7.411 9.914 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.127 7.128 7.562 1.00 0.00 H new ATOM 172 N ASN A 404 -8.802 5.462 10.565 1.00 0.00 N ATOM 173 CA ASN A 404 -9.952 4.570 10.562 1.00 0.00 C ATOM 174 C ASN A 404 -9.602 3.285 9.852 1.00 0.00 C ATOM 175 O ASN A 404 -8.994 3.303 8.781 1.00 0.00 O ATOM 176 CB ASN A 404 -11.159 5.228 9.884 1.00 0.00 C ATOM 177 CG ASN A 404 -11.996 6.072 10.830 1.00 0.00 C ATOM 178 OD1 ASN A 404 -13.224 6.055 10.768 1.00 0.00 O ATOM 179 ND2 ASN A 404 -11.347 6.833 11.698 1.00 0.00 N ATOM 0 H ASN A 404 -8.689 6.003 9.708 1.00 0.00 H new ATOM 0 HA ASN A 404 -10.219 4.353 11.596 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.809 5.854 9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.788 4.453 9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.867 7.429 12.342 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.327 6.823 11.723 1.00 0.00 H new ATOM 361 N VAL B 8 -0.645 0.208 -13.862 1.00 0.00 N ATOM 362 CA VAL B 8 -1.006 1.176 -12.843 1.00 0.00 C ATOM 363 C VAL B 8 -2.498 1.444 -12.935 1.00 0.00 C ATOM 364 O VAL B 8 -2.970 2.062 -13.888 1.00 0.00 O ATOM 365 CB VAL B 8 -0.246 2.506 -12.999 1.00 0.00 C ATOM 366 CG1 VAL B 8 -0.867 3.570 -12.110 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.228 2.327 -12.671 1.00 0.00 C ATOM 0 HA VAL B 8 -0.737 0.757 -11.873 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.323 2.829 -14.037 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.322 4.506 -12.228 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.909 3.718 -12.394 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.816 3.250 -11.069 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.745 3.279 -12.788 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.333 1.981 -11.643 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.664 1.592 -13.347 1.00 0.00 H new ATOM 377 N LEU B 9 -3.238 0.949 -11.964 1.00 0.00 N ATOM 378 CA LEU B 9 -4.679 1.131 -11.949 1.00 0.00 C ATOM 379 C LEU B 9 -5.070 2.465 -11.324 1.00 0.00 C ATOM 380 O LEU B 9 -6.095 3.045 -11.674 1.00 0.00 O ATOM 381 CB LEU B 9 -5.352 -0.016 -11.188 1.00 0.00 C ATOM 382 CG LEU B 9 -4.924 -1.424 -11.606 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.526 -2.460 -10.668 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.332 -1.705 -13.045 1.00 0.00 C ATOM 0 H LEU B 9 -2.868 0.418 -11.175 1.00 0.00 H new ATOM 0 HA LEU B 9 -5.021 1.129 -12.984 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.146 0.107 -10.125 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.431 0.070 -11.316 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.838 -1.487 -11.542 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.213 -3.457 -10.978 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.184 -2.272 -9.650 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.613 -2.394 -10.703 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.018 -2.711 -13.322 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.415 -1.624 -13.139 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.855 -0.981 -13.706 1.00 0.00 H new ATOM 396 N LEU B 10 -4.258 2.953 -10.399 1.00 0.00 N ATOM 397 CA LEU B 10 -4.553 4.209 -9.731 1.00 0.00 C ATOM 398 C LEU B 10 -3.326 5.097 -9.609 1.00 0.00 C ATOM 399 O LEU B 10 -2.257 4.642 -9.202 1.00 0.00 O ATOM 400 CB LEU B 10 -5.100 3.928 -8.341 1.00 0.00 C ATOM 401 CG LEU B 10 -5.560 5.167 -7.567 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.005 5.511 -7.872 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.379 4.958 -6.079 1.00 0.00 C ATOM 0 H LEU B 10 -3.395 2.501 -10.096 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.290 4.736 -10.337 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -5.941 3.240 -8.429 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.331 3.419 -7.760 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.940 6.004 -7.889 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.296 6.395 -7.305 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.114 5.711 -8.938 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.645 4.674 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.711 5.848 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -5.969 4.100 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.326 4.776 -5.863 1.00 0.00 H new ATOM 415 N ILE B 11 -3.492 6.363 -9.959 1.00 0.00 N ATOM 416 CA ILE B 11 -2.417 7.333 -9.848 1.00 0.00 C ATOM 417 C ILE B 11 -2.815 8.411 -8.860 1.00 0.00 C ATOM 418 O ILE B 11 -3.826 9.090 -9.040 1.00 0.00 O ATOM 419 CB ILE B 11 -2.062 8.010 -11.185 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.735 6.966 -12.254 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.885 8.960 -10.978 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.463 7.558 -13.619 1.00 0.00 C ATOM 0 H ILE B 11 -4.366 6.743 -10.324 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.537 6.783 -9.515 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.923 8.581 -11.533 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.864 6.394 -11.936 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.566 6.265 -12.331 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.634 9.439 -11.924 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -1.156 9.721 -10.246 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -0.024 8.399 -10.615 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.239 6.758 -14.324 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.341 8.106 -13.959 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.612 8.237 -13.558 1.00 0.00 H new ATOM 434 N VAL B 12 -2.024 8.553 -7.822 1.00 0.00 N ATOM 435 CA VAL B 12 -2.274 9.537 -6.796 1.00 0.00 C ATOM 436 C VAL B 12 -1.190 10.593 -6.837 1.00 0.00 C ATOM 437 O VAL B 12 -0.045 10.306 -7.179 1.00 0.00 O ATOM 438 CB VAL B 12 -2.315 8.891 -5.405 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.925 9.832 -4.388 1.00 0.00 C ATOM 440 CG2 VAL B 12 -3.084 7.583 -5.454 1.00 0.00 C ATOM 0 H VAL B 12 -1.189 7.989 -7.665 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.245 9.993 -6.986 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.291 8.681 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.942 9.350 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.330 10.743 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.943 10.081 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.105 7.136 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.104 7.773 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.596 6.900 -6.149 1.00 0.00 H new ATOM 450 N LYS B 13 -1.551 11.804 -6.486 1.00 0.00 N ATOM 451 CA LYS B 13 -0.613 12.910 -6.506 1.00 0.00 C ATOM 452 C LYS B 13 -0.274 13.335 -5.096 1.00 0.00 C ATOM 453 O LYS B 13 -0.875 12.839 -4.149 1.00 0.00 O ATOM 454 CB LYS B 13 -1.187 14.101 -7.282 1.00 0.00 C ATOM 455 CG LYS B 13 -1.188 13.914 -8.792 1.00 0.00 C ATOM 456 CD LYS B 13 -2.215 12.886 -9.240 1.00 0.00 C ATOM 457 CE LYS B 13 -3.607 13.483 -9.368 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.226 13.802 -8.047 1.00 0.00 N ATOM 0 H LYS B 13 -2.492 12.053 -6.181 1.00 0.00 H new ATOM 0 HA LYS B 13 0.294 12.573 -7.008 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.209 14.281 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.610 14.993 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -1.397 14.869 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.196 13.601 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -1.912 12.466 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.239 12.063 -8.525 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.553 14.392 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.249 12.784 -9.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.262 13.795 -8.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.935 13.091 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.913 14.743 -7.735 1.00 0.00 H new ATOM 472 N LYS B 14 0.650 14.294 -5.009 1.00 0.00 N ATOM 473 CA LYS B 14 1.150 14.864 -3.750 1.00 0.00 C ATOM 474 C LYS B 14 0.866 13.995 -2.529 1.00 0.00 C ATOM 475 O LYS B 14 -0.080 14.228 -1.778 1.00 0.00 O ATOM 476 CB LYS B 14 0.552 16.254 -3.546 1.00 0.00 C ATOM 477 CG LYS B 14 1.291 17.355 -4.283 1.00 0.00 C ATOM 478 CD LYS B 14 2.104 18.210 -3.326 1.00 0.00 C ATOM 479 CE LYS B 14 3.448 18.585 -3.924 1.00 0.00 C ATOM 480 NZ LYS B 14 4.245 17.384 -4.270 1.00 0.00 N ATOM 0 H LYS B 14 1.085 14.709 -5.833 1.00 0.00 H new ATOM 0 HA LYS B 14 2.235 14.920 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.487 16.244 -3.875 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.546 16.484 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS B 14 1.950 16.916 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.576 17.982 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.548 19.115 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.258 17.668 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.293 19.190 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.004 19.199 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.258 17.603 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.002 16.608 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.034 17.097 -5.247 1.00 0.00 H new ATOM 494 N VAL B 15 1.678 12.966 -2.377 1.00 0.00 N ATOM 495 CA VAL B 15 1.581 12.049 -1.255 1.00 0.00 C ATOM 496 C VAL B 15 2.953 11.909 -0.617 1.00 0.00 C ATOM 497 O VAL B 15 3.925 11.604 -1.301 1.00 0.00 O ATOM 498 CB VAL B 15 1.059 10.654 -1.683 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.319 9.614 -0.602 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.425 10.711 -1.999 1.00 0.00 C ATOM 0 H VAL B 15 2.428 12.741 -3.031 1.00 0.00 H new ATOM 0 HA VAL B 15 0.864 12.458 -0.543 1.00 0.00 H new ATOM 0 HB VAL B 15 1.601 10.360 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL B 15 0.942 8.646 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.391 9.542 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.811 9.909 0.316 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.772 9.722 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.973 11.036 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.597 11.416 -2.812 1.00 0.00 H new ATOM 510 N ARG B 16 3.039 12.153 0.678 1.00 0.00 N ATOM 511 CA ARG B 16 4.302 12.062 1.380 1.00 0.00 C ATOM 512 C ARG B 16 4.433 10.740 2.124 1.00 0.00 C ATOM 513 O ARG B 16 3.476 10.241 2.709 1.00 0.00 O ATOM 514 CB ARG B 16 4.464 13.221 2.374 1.00 0.00 C ATOM 515 CG ARG B 16 4.066 14.577 1.815 1.00 0.00 C ATOM 516 CD ARG B 16 3.820 15.597 2.920 1.00 0.00 C ATOM 517 NE ARG B 16 5.040 15.924 3.665 1.00 0.00 N ATOM 518 CZ ARG B 16 5.056 16.274 4.956 1.00 0.00 C ATOM 519 NH1 ARG B 16 3.927 16.354 5.644 1.00 0.00 N ATOM 520 NH2 ARG B 16 6.201 16.555 5.562 1.00 0.00 N ATOM 0 H ARG B 16 2.247 12.416 1.264 1.00 0.00 H new ATOM 0 HA ARG B 16 5.089 12.120 0.628 1.00 0.00 H new ATOM 0 HB2 ARG B 16 3.862 13.014 3.259 1.00 0.00 H new ATOM 0 HB3 ARG B 16 5.504 13.265 2.699 1.00 0.00 H new ATOM 0 HG2 ARG B 16 4.851 14.941 1.153 1.00 0.00 H new ATOM 0 HG3 ARG B 16 3.164 14.471 1.212 1.00 0.00 H new ATOM 0 HD2 ARG B 16 3.409 16.508 2.484 1.00 0.00 H new ATOM 0 HD3 ARG B 16 3.071 15.207 3.609 1.00 0.00 H new ATOM 0 HE ARG B 16 5.930 15.882 3.169 1.00 0.00 H new ATOM 0 HH11 ARG B 16 3.037 16.148 5.190 1.00 0.00 H new ATOM 0 HH12 ARG B 16 3.947 16.622 6.628 1.00 0.00 H new ATOM 0 HH21 ARG B 16 7.078 16.505 5.044 1.00 0.00 H new ATOM 0 HH22 ARG B 16 6.205 16.821 6.547 1.00 0.00 H new ATOM 534 N GLN B 17 5.614 10.167 2.050 1.00 0.00 N ATOM 535 CA GLN B 17 5.931 8.940 2.757 1.00 0.00 C ATOM 536 C GLN B 17 7.161 9.226 3.592 1.00 0.00 C ATOM 537 O GLN B 17 8.219 9.533 3.039 1.00 0.00 O ATOM 538 CB GLN B 17 6.206 7.785 1.790 1.00 0.00 C ATOM 539 CG GLN B 17 5.856 6.400 2.335 1.00 0.00 C ATOM 540 CD GLN B 17 6.345 6.154 3.756 1.00 0.00 C ATOM 541 OE1 GLN B 17 7.501 5.790 3.982 1.00 0.00 O ATOM 542 NE2 GLN B 17 5.459 6.335 4.719 1.00 0.00 N ATOM 0 H GLN B 17 6.386 10.538 1.496 1.00 0.00 H new ATOM 0 HA GLN B 17 5.087 8.634 3.376 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.641 7.954 0.874 1.00 0.00 H new ATOM 0 HB3 GLN B 17 7.262 7.798 1.520 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.774 6.272 2.306 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.284 5.643 1.678 1.00 0.00 H new ATOM 0 HE21 GLN B 17 4.512 6.637 4.490 1.00 0.00 H new ATOM 0 HE22 GLN B 17 5.722 6.173 5.691 1.00 0.00 H new ATOM 551 N LYS B 18 7.005 9.191 4.910 1.00 0.00 N ATOM 552 CA LYS B 18 8.106 9.474 5.822 1.00 0.00 C ATOM 553 C LYS B 18 8.459 10.956 5.708 1.00 0.00 C ATOM 554 O LYS B 18 9.614 11.361 5.869 1.00 0.00 O ATOM 555 CB LYS B 18 9.313 8.579 5.502 1.00 0.00 C ATOM 556 CG LYS B 18 10.303 8.428 6.645 1.00 0.00 C ATOM 557 CD LYS B 18 10.527 6.965 7.001 1.00 0.00 C ATOM 558 CE LYS B 18 9.384 6.408 7.839 1.00 0.00 C ATOM 559 NZ LYS B 18 8.166 6.132 7.032 1.00 0.00 N ATOM 0 H LYS B 18 6.123 8.969 5.372 1.00 0.00 H new ATOM 0 HA LYS B 18 7.811 9.256 6.848 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.952 7.591 5.217 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.835 8.989 4.637 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.253 8.885 6.368 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.935 8.964 7.520 1.00 0.00 H new ATOM 0 HD2 LYS B 18 10.627 6.379 6.087 1.00 0.00 H new ATOM 0 HD3 LYS B 18 11.464 6.863 7.549 1.00 0.00 H new ATOM 0 HE2 LYS B 18 9.709 5.488 8.325 1.00 0.00 H new ATOM 0 HE3 LYS B 18 9.139 7.117 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 7.597 5.399 7.502 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 7.604 7.003 6.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 8.444 5.801 6.086 1.00 0.00 H new ATOM 573 N LYS B 19 7.422 11.749 5.414 1.00 0.00 N ATOM 574 CA LYS B 19 7.525 13.201 5.251 1.00 0.00 C ATOM 575 C LYS B 19 8.148 13.588 3.908 1.00 0.00 C ATOM 576 O LYS B 19 8.503 14.748 3.695 1.00 0.00 O ATOM 577 CB LYS B 19 8.299 13.843 6.408 1.00 0.00 C ATOM 578 CG LYS B 19 7.413 14.236 7.577 1.00 0.00 C ATOM 579 CD LYS B 19 7.420 13.192 8.680 1.00 0.00 C ATOM 580 CE LYS B 19 8.530 13.447 9.678 1.00 0.00 C ATOM 581 NZ LYS B 19 9.769 12.700 9.330 1.00 0.00 N ATOM 0 H LYS B 19 6.475 11.394 5.281 1.00 0.00 H new ATOM 0 HA LYS B 19 6.506 13.588 5.265 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.062 13.147 6.757 1.00 0.00 H new ATOM 0 HB3 LYS B 19 8.819 14.728 6.041 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.750 15.191 7.981 1.00 0.00 H new ATOM 0 HG3 LYS B 19 6.392 14.382 7.224 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.459 13.198 9.194 1.00 0.00 H new ATOM 0 HD3 LYS B 19 7.542 12.201 8.244 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.747 14.514 9.715 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.197 13.155 10.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 10.388 12.647 10.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.520 11.738 9.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.266 13.192 8.560 1.00 0.00 H new ATOM 595 N GLN B 20 8.253 12.629 2.996 1.00 0.00 N ATOM 596 CA GLN B 20 8.815 12.880 1.671 1.00 0.00 C ATOM 597 C GLN B 20 7.684 12.902 0.652 1.00 0.00 C ATOM 598 O GLN B 20 7.001 11.904 0.477 1.00 0.00 O ATOM 599 CB GLN B 20 9.838 11.794 1.316 1.00 0.00 C ATOM 600 CG GLN B 20 10.475 11.955 -0.059 1.00 0.00 C ATOM 601 CD GLN B 20 11.550 13.029 -0.099 1.00 0.00 C ATOM 602 OE1 GLN B 20 11.801 13.632 -1.144 1.00 0.00 O ATOM 603 NE2 GLN B 20 12.196 13.269 1.031 1.00 0.00 N ATOM 0 H GLN B 20 7.955 11.666 3.149 1.00 0.00 H new ATOM 0 HA GLN B 20 9.327 13.842 1.664 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.625 11.793 2.070 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.349 10.821 1.365 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.910 11.003 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN B 20 9.700 12.199 -0.785 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.958 12.748 1.875 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.932 13.975 1.058 1.00 0.00 H new ATOM 612 N ASP B 21 7.499 14.027 -0.024 1.00 0.00 N ATOM 613 CA ASP B 21 6.408 14.168 -0.992 1.00 0.00 C ATOM 614 C ASP B 21 6.708 13.468 -2.318 1.00 0.00 C ATOM 615 O ASP B 21 7.868 13.345 -2.729 1.00 0.00 O ATOM 616 CB ASP B 21 6.108 15.651 -1.235 1.00 0.00 C ATOM 617 CG ASP B 21 4.628 15.920 -1.437 1.00 0.00 C ATOM 618 OD1 ASP B 21 4.012 16.575 -0.570 1.00 0.00 O ATOM 619 OD2 ASP B 21 4.078 15.487 -2.468 1.00 0.00 O ATOM 0 H ASP B 21 8.085 14.856 0.076 1.00 0.00 H new ATOM 0 HA ASP B 21 5.532 13.682 -0.563 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.467 16.235 -0.387 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.659 15.991 -2.112 1.00 0.00 H new ATOM 624 N GLY B 22 5.649 13.008 -2.974 1.00 0.00 N ATOM 625 CA GLY B 22 5.767 12.323 -4.246 1.00 0.00 C ATOM 626 C GLY B 22 4.410 11.933 -4.805 1.00 0.00 C ATOM 627 O GLY B 22 3.398 12.541 -4.460 1.00 0.00 O ATOM 0 H GLY B 22 4.691 13.101 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.282 12.967 -4.959 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.379 11.430 -4.122 1.00 0.00 H new ATOM 631 N ALA B 23 4.379 10.910 -5.649 1.00 0.00 N ATOM 632 CA ALA B 23 3.132 10.445 -6.247 1.00 0.00 C ATOM 633 C ALA B 23 2.985 8.941 -6.052 1.00 0.00 C ATOM 634 O ALA B 23 3.944 8.181 -6.207 1.00 0.00 O ATOM 635 CB ALA B 23 3.054 10.821 -7.722 1.00 0.00 C ATOM 0 H ALA B 23 5.205 10.385 -5.936 1.00 0.00 H new ATOM 0 HA ALA B 23 2.302 10.940 -5.742 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.114 10.461 -8.140 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.105 11.905 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA B 23 3.887 10.366 -8.258 1.00 0.00 H new ATOM 641 N LEU B 24 1.780 8.526 -5.709 1.00 0.00 N ATOM 642 CA LEU B 24 1.476 7.125 -5.450 1.00 0.00 C ATOM 643 C LEU B 24 0.859 6.461 -6.682 1.00 0.00 C ATOM 644 O LEU B 24 0.043 7.058 -7.371 1.00 0.00 O ATOM 645 CB LEU B 24 0.523 7.054 -4.256 1.00 0.00 C ATOM 646 CG LEU B 24 0.074 5.654 -3.855 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.009 5.043 -2.839 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.339 5.694 -3.308 1.00 0.00 C ATOM 0 H LEU B 24 0.980 9.150 -5.601 1.00 0.00 H new ATOM 0 HA LEU B 24 2.395 6.584 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.008 7.520 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.362 7.649 -4.484 1.00 0.00 H new ATOM 0 HG LEU B 24 0.095 5.028 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.658 4.045 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.012 4.976 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.033 5.667 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.648 4.688 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.372 6.343 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.014 6.080 -4.072 1.00 0.00 H new ATOM 660 N TYR B 25 1.265 5.230 -6.966 1.00 0.00 N ATOM 661 CA TYR B 25 0.751 4.491 -8.118 1.00 0.00 C ATOM 662 C TYR B 25 0.387 3.065 -7.714 1.00 0.00 C ATOM 663 O TYR B 25 1.264 2.249 -7.432 1.00 0.00 O ATOM 664 CB TYR B 25 1.790 4.430 -9.247 1.00 0.00 C ATOM 665 CG TYR B 25 2.268 5.773 -9.761 1.00 0.00 C ATOM 666 CD1 TYR B 25 1.745 6.316 -10.926 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.257 6.484 -9.092 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.194 7.530 -11.409 1.00 0.00 C ATOM 669 CE2 TYR B 25 3.706 7.700 -9.567 1.00 0.00 C ATOM 670 CZ TYR B 25 3.173 8.219 -10.725 1.00 0.00 C ATOM 671 OH TYR B 25 3.623 9.427 -11.205 1.00 0.00 O ATOM 0 H TYR B 25 1.952 4.718 -6.413 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.135 5.017 -8.474 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.654 3.867 -8.894 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.364 3.871 -10.080 1.00 0.00 H new ATOM 0 HD1 TYR B 25 0.975 5.782 -11.463 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.681 6.079 -8.185 1.00 0.00 H new ATOM 0 HE1 TYR B 25 1.780 7.938 -12.319 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.472 8.242 -9.032 1.00 0.00 H new ATOM 0 HH TYR B 25 4.312 9.781 -10.605 1.00 0.00 H new ATOM 681 N LEU B 26 -0.898 2.756 -7.690 1.00 0.00 N ATOM 682 CA LEU B 26 -1.334 1.419 -7.313 1.00 0.00 C ATOM 683 C LEU B 26 -1.363 0.516 -8.535 1.00 0.00 C ATOM 684 O LEU B 26 -1.946 0.865 -9.561 1.00 0.00 O ATOM 685 CB LEU B 26 -2.708 1.446 -6.647 1.00 0.00 C ATOM 686 CG LEU B 26 -2.861 2.461 -5.519 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.076 2.152 -4.674 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.638 2.501 -4.637 1.00 0.00 C ATOM 0 H LEU B 26 -1.651 3.403 -7.924 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.620 1.025 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.459 1.656 -7.408 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.923 0.453 -6.253 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.985 3.438 -5.987 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.162 2.890 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.970 2.184 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.973 1.158 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.784 3.236 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.476 1.518 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.769 2.778 -5.233 1.00 0.00 H new ATOM 700 N MET B 27 -0.732 -0.639 -8.423 1.00 0.00 N ATOM 701 CA MET B 27 -0.671 -1.586 -9.520 1.00 0.00 C ATOM 702 C MET B 27 -1.525 -2.806 -9.232 1.00 0.00 C ATOM 703 O MET B 27 -1.969 -3.013 -8.105 1.00 0.00 O ATOM 704 CB MET B 27 0.772 -1.998 -9.794 1.00 0.00 C ATOM 705 CG MET B 27 1.581 -0.891 -10.436 1.00 0.00 C ATOM 706 SD MET B 27 3.346 -1.031 -10.126 1.00 0.00 S ATOM 707 CE MET B 27 3.813 0.681 -10.341 1.00 0.00 C ATOM 0 H MET B 27 -0.252 -0.945 -7.577 1.00 0.00 H new ATOM 0 HA MET B 27 -1.067 -1.097 -10.410 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.246 -2.293 -8.858 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.779 -2.873 -10.445 1.00 0.00 H new ATOM 0 HG2 MET B 27 1.406 -0.899 -11.512 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.229 0.071 -10.063 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.854 0.814 -10.048 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.692 0.963 -11.387 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.178 1.312 -9.719 1.00 0.00 H new ATOM 717 N ALA B 28 -1.712 -3.616 -10.261 1.00 0.00 N ATOM 718 CA ALA B 28 -2.536 -4.821 -10.195 1.00 0.00 C ATOM 719 C ALA B 28 -2.277 -5.681 -8.956 1.00 0.00 C ATOM 720 O ALA B 28 -3.213 -6.052 -8.255 1.00 0.00 O ATOM 721 CB ALA B 28 -2.331 -5.646 -11.456 1.00 0.00 C ATOM 0 H ALA B 28 -1.293 -3.457 -11.177 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.571 -4.487 -10.118 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.946 -6.545 -11.407 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.619 -5.057 -12.327 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.282 -5.928 -11.539 1.00 0.00 H new ATOM 727 N GLU B 29 -1.020 -6.000 -8.682 1.00 0.00 N ATOM 728 CA GLU B 29 -0.700 -6.854 -7.543 1.00 0.00 C ATOM 729 C GLU B 29 0.114 -6.138 -6.467 1.00 0.00 C ATOM 730 O GLU B 29 0.525 -6.767 -5.486 1.00 0.00 O ATOM 731 CB GLU B 29 0.077 -8.092 -8.010 1.00 0.00 C ATOM 732 CG GLU B 29 -0.322 -8.604 -9.389 1.00 0.00 C ATOM 733 CD GLU B 29 0.448 -7.932 -10.513 1.00 0.00 C ATOM 734 OE1 GLU B 29 0.441 -8.459 -11.644 1.00 0.00 O ATOM 735 OE2 GLU B 29 1.062 -6.868 -10.267 1.00 0.00 O ATOM 0 H GLU B 29 -0.214 -5.687 -9.223 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.654 -7.142 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.141 -7.856 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.067 -8.892 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.156 -9.680 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.389 -8.440 -9.537 1.00 0.00 H new ATOM 742 N ARG B 30 0.327 -4.832 -6.596 1.00 0.00 N ATOM 743 CA ARG B 30 1.138 -4.133 -5.602 1.00 0.00 C ATOM 744 C ARG B 30 0.873 -2.638 -5.570 1.00 0.00 C ATOM 745 O ARG B 30 0.398 -2.057 -6.536 1.00 0.00 O ATOM 746 CB ARG B 30 2.629 -4.375 -5.877 1.00 0.00 C ATOM 747 CG ARG B 30 3.247 -3.380 -6.850 1.00 0.00 C ATOM 748 CD ARG B 30 4.191 -4.063 -7.820 1.00 0.00 C ATOM 749 NE ARG B 30 3.467 -4.789 -8.862 1.00 0.00 N ATOM 750 CZ ARG B 30 3.828 -4.803 -10.141 1.00 0.00 C ATOM 751 NH1 ARG B 30 4.896 -4.131 -10.542 1.00 0.00 N ATOM 752 NH2 ARG B 30 3.117 -5.484 -11.024 1.00 0.00 N ATOM 0 H ARG B 30 -0.036 -4.251 -7.352 1.00 0.00 H new ATOM 0 HA ARG B 30 0.858 -4.537 -4.629 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.174 -4.332 -4.934 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.756 -5.382 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.457 -2.874 -7.405 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.787 -2.614 -6.294 1.00 0.00 H new ATOM 0 HD2 ARG B 30 4.841 -3.318 -8.280 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.834 -4.754 -7.275 1.00 0.00 H new ATOM 0 HE ARG B 30 2.636 -5.316 -8.592 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.447 -3.599 -9.868 1.00 0.00 H new ATOM 0 HH12 ARG B 30 5.168 -4.145 -11.525 1.00 0.00 H new ATOM 0 HH21 ARG B 30 2.290 -6.000 -10.724 1.00 0.00 H new ATOM 0 HH22 ARG B 30 3.396 -5.493 -12.005 1.00 0.00 H new ATOM 766 N ILE B 31 1.195 -2.032 -4.442 1.00 0.00 N ATOM 767 CA ILE B 31 1.047 -0.602 -4.255 1.00 0.00 C ATOM 768 C ILE B 31 2.435 0.030 -4.277 1.00 0.00 C ATOM 769 O ILE B 31 3.283 -0.281 -3.436 1.00 0.00 O ATOM 770 CB ILE B 31 0.319 -0.268 -2.927 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.630 1.165 -2.483 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.694 -1.262 -1.835 1.00 0.00 C ATOM 773 CD1 ILE B 31 -0.268 1.663 -1.374 1.00 0.00 C ATOM 0 H ILE B 31 1.568 -2.520 -3.628 1.00 0.00 H new ATOM 0 HA ILE B 31 0.434 -0.199 -5.061 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.754 -0.347 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.667 1.217 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.537 1.831 -3.341 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.170 -1.006 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.411 -2.268 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.770 -1.225 -1.663 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.010 2.684 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.305 1.644 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -0.158 1.021 -0.500 1.00 0.00 H new ATOM 785 N ALA B 32 2.680 0.879 -5.260 1.00 0.00 N ATOM 786 CA ALA B 32 3.972 1.524 -5.392 1.00 0.00 C ATOM 787 C ALA B 32 3.844 3.033 -5.266 1.00 0.00 C ATOM 788 O ALA B 32 2.797 3.605 -5.556 1.00 0.00 O ATOM 789 CB ALA B 32 4.615 1.151 -6.720 1.00 0.00 C ATOM 0 H ALA B 32 2.002 1.137 -5.977 1.00 0.00 H new ATOM 0 HA ALA B 32 4.612 1.173 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.584 1.642 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.750 0.070 -6.768 1.00 0.00 H new ATOM 0 HB3 ALA B 32 3.972 1.473 -7.539 1.00 0.00 H new ATOM 795 N TRP B 33 4.898 3.670 -4.800 1.00 0.00 N ATOM 796 CA TRP B 33 4.908 5.112 -4.642 1.00 0.00 C ATOM 797 C TRP B 33 6.313 5.651 -4.890 1.00 0.00 C ATOM 798 O TRP B 33 7.302 5.069 -4.433 1.00 0.00 O ATOM 799 CB TRP B 33 4.381 5.487 -3.248 1.00 0.00 C ATOM 800 CG TRP B 33 4.585 6.922 -2.868 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.700 7.937 -3.050 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.732 7.500 -2.235 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.222 9.111 -2.586 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.471 8.871 -2.078 1.00 0.00 C ATOM 805 CE3 TRP B 33 6.955 6.994 -1.790 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.385 9.740 -1.496 1.00 0.00 C ATOM 807 CZ3 TRP B 33 7.861 7.858 -1.210 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.572 9.218 -1.068 1.00 0.00 C ATOM 0 H TRP B 33 5.765 3.210 -4.522 1.00 0.00 H new ATOM 0 HA TRP B 33 4.247 5.571 -5.377 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.315 5.261 -3.204 1.00 0.00 H new ATOM 0 HB3 TRP B 33 4.871 4.856 -2.507 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.723 7.831 -3.498 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.757 10.019 -2.613 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.188 5.945 -1.898 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.165 10.792 -1.386 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 8.809 7.477 -0.860 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.302 9.869 -0.611 1.00 0.00 H new ATOM 819 N ALA B 34 6.397 6.745 -5.630 1.00 0.00 N ATOM 820 CA ALA B 34 7.676 7.360 -5.947 1.00 0.00 C ATOM 821 C ALA B 34 7.673 8.826 -5.544 1.00 0.00 C ATOM 822 O ALA B 34 6.723 9.551 -5.834 1.00 0.00 O ATOM 823 CB ALA B 34 7.981 7.223 -7.432 1.00 0.00 C ATOM 0 H ALA B 34 5.590 7.228 -6.024 1.00 0.00 H new ATOM 0 HA ALA B 34 8.454 6.844 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA B 34 8.942 7.689 -7.651 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.021 6.167 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.199 7.715 -8.011 1.00 0.00 H new ATOM 829 N PRO B 35 8.733 9.281 -4.866 1.00 0.00 N ATOM 830 CA PRO B 35 8.847 10.664 -4.424 1.00 0.00 C ATOM 831 C PRO B 35 9.174 11.599 -5.583 1.00 0.00 C ATOM 832 O PRO B 35 9.857 11.212 -6.534 1.00 0.00 O ATOM 833 CB PRO B 35 9.999 10.645 -3.410 1.00 0.00 C ATOM 834 CG PRO B 35 10.416 9.214 -3.273 1.00 0.00 C ATOM 835 CD PRO B 35 9.907 8.493 -4.488 1.00 0.00 C ATOM 0 HA PRO B 35 7.913 11.031 -3.999 1.00 0.00 H new ATOM 0 HB2 PRO B 35 10.830 11.261 -3.754 1.00 0.00 H new ATOM 0 HB3 PRO B 35 9.679 11.050 -2.450 1.00 0.00 H new ATOM 0 HG2 PRO B 35 11.501 9.133 -3.202 1.00 0.00 H new ATOM 0 HG3 PRO B 35 10.004 8.777 -2.364 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.651 8.468 -5.284 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.645 7.459 -4.264 1.00 0.00 H new ATOM 843 N GLU B 36 8.696 12.829 -5.494 1.00 0.00 N ATOM 844 CA GLU B 36 8.933 13.813 -6.537 1.00 0.00 C ATOM 845 C GLU B 36 10.414 14.159 -6.629 1.00 0.00 C ATOM 846 O GLU B 36 11.073 14.420 -5.616 1.00 0.00 O ATOM 847 CB GLU B 36 8.107 15.071 -6.284 1.00 0.00 C ATOM 848 CG GLU B 36 6.668 14.952 -6.758 1.00 0.00 C ATOM 849 CD GLU B 36 5.824 16.147 -6.368 1.00 0.00 C ATOM 850 OE1 GLU B 36 4.592 16.111 -6.586 1.00 0.00 O ATOM 851 OE2 GLU B 36 6.380 17.122 -5.816 1.00 0.00 O ATOM 0 H GLU B 36 8.141 13.170 -4.709 1.00 0.00 H new ATOM 0 HA GLU B 36 8.624 13.380 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU B 36 8.113 15.293 -5.217 1.00 0.00 H new ATOM 0 HB3 GLU B 36 8.579 15.915 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU B 36 6.655 14.841 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU B 36 6.226 14.048 -6.340 1.00 0.00 H new ATOM 858 N GLY B 37 10.936 14.123 -7.845 1.00 0.00 N ATOM 859 CA GLY B 37 12.333 14.431 -8.066 1.00 0.00 C ATOM 860 C GLY B 37 13.194 13.186 -8.094 1.00 0.00 C ATOM 861 O GLY B 37 14.414 13.273 -8.207 1.00 0.00 O ATOM 0 H GLY B 37 10.413 13.884 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY B 37 12.441 14.967 -9.009 1.00 0.00 H new ATOM 0 HA3 GLY B 37 12.686 15.097 -7.279 1.00 0.00 H new ATOM 865 N LYS B 38 12.561 12.028 -7.963 1.00 0.00 N ATOM 866 CA LYS B 38 13.280 10.761 -7.981 1.00 0.00 C ATOM 867 C LYS B 38 12.906 9.958 -9.219 1.00 0.00 C ATOM 868 O LYS B 38 11.783 10.051 -9.712 1.00 0.00 O ATOM 869 CB LYS B 38 13.000 9.956 -6.705 1.00 0.00 C ATOM 870 CG LYS B 38 13.654 10.545 -5.458 1.00 0.00 C ATOM 871 CD LYS B 38 12.849 11.709 -4.900 1.00 0.00 C ATOM 872 CE LYS B 38 13.711 12.666 -4.096 1.00 0.00 C ATOM 873 NZ LYS B 38 12.939 13.856 -3.639 1.00 0.00 N ATOM 0 H LYS B 38 11.552 11.940 -7.843 1.00 0.00 H new ATOM 0 HA LYS B 38 14.349 10.973 -8.017 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.923 9.901 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS B 38 13.355 8.935 -6.844 1.00 0.00 H new ATOM 0 HG2 LYS B 38 13.751 9.771 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS B 38 14.662 10.882 -5.700 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.377 12.249 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS B 38 12.048 11.325 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.122 12.146 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS B 38 14.556 12.992 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 13.530 14.707 -3.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 12.088 13.964 -4.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 12.660 13.728 -2.645 1.00 0.00 H new ATOM 887 N ASP B 39 13.853 9.171 -9.708 1.00 0.00 N ATOM 888 CA ASP B 39 13.655 8.359 -10.904 1.00 0.00 C ATOM 889 C ASP B 39 13.296 6.919 -10.552 1.00 0.00 C ATOM 890 O ASP B 39 13.190 6.065 -11.431 1.00 0.00 O ATOM 891 CB ASP B 39 14.932 8.370 -11.752 1.00 0.00 C ATOM 892 CG ASP B 39 16.081 7.630 -11.082 1.00 0.00 C ATOM 893 OD1 ASP B 39 16.877 6.983 -11.794 1.00 0.00 O ATOM 894 OD2 ASP B 39 16.188 7.683 -9.834 1.00 0.00 O ATOM 0 H ASP B 39 14.778 9.076 -9.290 1.00 0.00 H new ATOM 0 HA ASP B 39 12.826 8.789 -11.466 1.00 0.00 H new ATOM 0 HB2 ASP B 39 14.726 7.914 -12.720 1.00 0.00 H new ATOM 0 HB3 ASP B 39 15.230 9.401 -11.942 1.00 0.00 H new ATOM 899 N ARG B 40 13.100 6.647 -9.271 1.00 0.00 N ATOM 900 CA ARG B 40 12.776 5.297 -8.836 1.00 0.00 C ATOM 901 C ARG B 40 11.746 5.295 -7.714 1.00 0.00 C ATOM 902 O ARG B 40 11.639 6.253 -6.944 1.00 0.00 O ATOM 903 CB ARG B 40 14.046 4.570 -8.386 1.00 0.00 C ATOM 904 CG ARG B 40 14.874 5.345 -7.371 1.00 0.00 C ATOM 905 CD ARG B 40 16.351 5.004 -7.486 1.00 0.00 C ATOM 906 NE ARG B 40 16.888 5.352 -8.802 1.00 0.00 N ATOM 907 CZ ARG B 40 17.774 4.619 -9.474 1.00 0.00 C ATOM 908 NH1 ARG B 40 18.269 3.507 -8.939 1.00 0.00 N ATOM 909 NH2 ARG B 40 18.164 5.004 -10.682 1.00 0.00 N ATOM 0 H ARG B 40 13.159 7.336 -8.521 1.00 0.00 H new ATOM 0 HA ARG B 40 12.339 4.772 -9.686 1.00 0.00 H new ATOM 0 HB2 ARG B 40 13.769 3.608 -7.955 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.663 4.362 -9.260 1.00 0.00 H new ATOM 0 HG2 ARG B 40 14.733 6.415 -7.524 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.524 5.118 -6.364 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.908 5.535 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.493 3.938 -7.305 1.00 0.00 H new ATOM 0 HE ARG B 40 16.561 6.216 -9.235 1.00 0.00 H new ATOM 0 HH11 ARG B 40 17.970 3.212 -8.010 1.00 0.00 H new ATOM 0 HH12 ARG B 40 18.947 2.949 -9.458 1.00 0.00 H new ATOM 0 HH21 ARG B 40 17.786 5.858 -11.092 1.00 0.00 H new ATOM 0 HH22 ARG B 40 18.842 4.446 -11.201 1.00 0.00 H new ATOM 923 N PHE B 41 10.992 4.207 -7.636 1.00 0.00 N ATOM 924 CA PHE B 41 9.968 4.038 -6.617 1.00 0.00 C ATOM 925 C PHE B 41 10.599 3.534 -5.327 1.00 0.00 C ATOM 926 O PHE B 41 11.262 2.498 -5.319 1.00 0.00 O ATOM 927 CB PHE B 41 8.904 3.040 -7.089 1.00 0.00 C ATOM 928 CG PHE B 41 8.047 3.535 -8.221 1.00 0.00 C ATOM 929 CD1 PHE B 41 8.553 3.631 -9.509 1.00 0.00 C ATOM 930 CD2 PHE B 41 6.731 3.901 -7.996 1.00 0.00 C ATOM 931 CE1 PHE B 41 7.761 4.083 -10.548 1.00 0.00 C ATOM 932 CE2 PHE B 41 5.935 4.353 -9.029 1.00 0.00 C ATOM 933 CZ PHE B 41 6.451 4.445 -10.308 1.00 0.00 C ATOM 0 H PHE B 41 11.074 3.418 -8.277 1.00 0.00 H new ATOM 0 HA PHE B 41 9.495 5.003 -6.438 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.399 2.120 -7.399 1.00 0.00 H new ATOM 0 HB3 PHE B 41 8.261 2.787 -6.246 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.578 3.349 -9.702 1.00 0.00 H new ATOM 0 HD2 PHE B 41 6.322 3.832 -6.999 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.167 4.153 -11.546 1.00 0.00 H new ATOM 0 HE2 PHE B 41 4.910 4.635 -8.838 1.00 0.00 H new ATOM 0 HZ PHE B 41 5.830 4.799 -11.118 1.00 0.00 H new ATOM 943 N THR B 42 10.410 4.271 -4.246 1.00 0.00 N ATOM 944 CA THR B 42 10.964 3.878 -2.961 1.00 0.00 C ATOM 945 C THR B 42 9.969 3.021 -2.190 1.00 0.00 C ATOM 946 O THR B 42 10.330 2.306 -1.256 1.00 0.00 O ATOM 947 CB THR B 42 11.337 5.112 -2.124 1.00 0.00 C ATOM 948 OG1 THR B 42 10.356 6.139 -2.318 1.00 0.00 O ATOM 949 CG2 THR B 42 12.711 5.637 -2.514 1.00 0.00 C ATOM 0 H THR B 42 9.879 5.142 -4.232 1.00 0.00 H new ATOM 0 HA THR B 42 11.866 3.296 -3.151 1.00 0.00 H new ATOM 0 HB THR B 42 11.364 4.822 -1.074 1.00 0.00 H new ATOM 0 HG1 THR B 42 9.542 5.912 -1.821 1.00 0.00 H new ATOM 0 HG21 THR B 42 12.952 6.510 -1.908 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.458 4.861 -2.346 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.708 5.916 -3.568 1.00 0.00 H new ATOM 957 N ILE B 43 8.710 3.100 -2.594 1.00 0.00 N ATOM 958 CA ILE B 43 7.651 2.342 -1.956 1.00 0.00 C ATOM 959 C ILE B 43 7.108 1.286 -2.907 1.00 0.00 C ATOM 960 O ILE B 43 6.605 1.608 -3.981 1.00 0.00 O ATOM 961 CB ILE B 43 6.502 3.270 -1.498 1.00 0.00 C ATOM 962 CG1 ILE B 43 6.931 4.085 -0.276 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.237 2.477 -1.192 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.318 3.242 0.919 1.00 0.00 C ATOM 0 H ILE B 43 8.398 3.687 -3.367 1.00 0.00 H new ATOM 0 HA ILE B 43 8.073 1.853 -1.078 1.00 0.00 H new ATOM 0 HB ILE B 43 6.277 3.954 -2.316 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.776 4.717 -0.551 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.116 4.750 0.010 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.449 3.159 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE B 43 4.916 1.945 -2.087 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.441 1.760 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.610 3.892 1.744 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.469 2.629 1.222 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.155 2.596 0.653 1.00 0.00 H new ATOM 976 N SER B 44 7.251 0.029 -2.521 1.00 0.00 N ATOM 977 CA SER B 44 6.756 -1.078 -3.317 1.00 0.00 C ATOM 978 C SER B 44 6.333 -2.210 -2.393 1.00 0.00 C ATOM 979 O SER B 44 7.172 -2.946 -1.873 1.00 0.00 O ATOM 980 CB SER B 44 7.831 -1.556 -4.300 1.00 0.00 C ATOM 981 OG SER B 44 7.326 -2.549 -5.178 1.00 0.00 O ATOM 0 H SER B 44 7.710 -0.250 -1.654 1.00 0.00 H new ATOM 0 HA SER B 44 5.894 -0.748 -3.897 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.199 -0.709 -4.879 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.680 -1.956 -3.746 1.00 0.00 H new ATOM 0 HG SER B 44 8.034 -2.832 -5.793 1.00 0.00 H new ATOM 987 N HIS B 45 5.033 -2.333 -2.172 1.00 0.00 N ATOM 988 CA HIS B 45 4.507 -3.376 -1.301 1.00 0.00 C ATOM 989 C HIS B 45 3.471 -4.197 -2.043 1.00 0.00 C ATOM 990 O HIS B 45 2.646 -3.648 -2.774 1.00 0.00 O ATOM 991 CB HIS B 45 3.857 -2.776 -0.046 1.00 0.00 C ATOM 992 CG HIS B 45 4.679 -1.734 0.648 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.634 -2.010 1.601 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.666 -0.385 0.511 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.162 -0.848 2.003 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.609 0.170 1.370 1.00 0.00 N ATOM 0 H HIS B 45 4.323 -1.726 -2.582 1.00 0.00 H new ATOM 0 HA HIS B 45 5.342 -4.008 -0.999 1.00 0.00 H new ATOM 0 HB2 HIS B 45 2.899 -2.337 -0.324 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.647 -3.581 0.658 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.893 -2.936 1.940 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.026 0.170 -0.158 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.939 -0.755 2.748 1.00 0.00 H new ATOM 1004 N MET B 46 3.510 -5.501 -1.868 1.00 0.00 N ATOM 1005 CA MET B 46 2.549 -6.368 -2.515 1.00 0.00 C ATOM 1006 C MET B 46 1.329 -6.492 -1.622 1.00 0.00 C ATOM 1007 O MET B 46 1.452 -6.513 -0.401 1.00 0.00 O ATOM 1008 CB MET B 46 3.144 -7.754 -2.786 1.00 0.00 C ATOM 1009 CG MET B 46 4.404 -7.728 -3.636 1.00 0.00 C ATOM 1010 SD MET B 46 4.058 -7.504 -5.392 1.00 0.00 S ATOM 1011 CE MET B 46 3.182 -9.024 -5.759 1.00 0.00 C ATOM 0 H MET B 46 4.195 -5.983 -1.285 1.00 0.00 H new ATOM 0 HA MET B 46 2.271 -5.935 -3.476 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.370 -8.234 -1.834 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.394 -8.369 -3.284 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.052 -6.922 -3.292 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.952 -8.660 -3.494 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.286 -9.257 -6.819 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.600 -9.837 -5.166 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.126 -8.903 -5.516 1.00 0.00 H new ATOM 1021 N TYR B 47 0.155 -6.559 -2.226 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.095 -6.690 -1.472 1.00 0.00 C ATOM 1023 C TYR B 47 -1.072 -7.952 -0.613 1.00 0.00 C ATOM 1024 O TYR B 47 -1.775 -8.046 0.387 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.272 -6.729 -2.443 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.366 -5.492 -3.306 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.053 -4.242 -2.790 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -2.760 -5.572 -4.632 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -2.131 -3.108 -3.570 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -2.841 -4.439 -5.418 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.526 -3.210 -4.881 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.600 -2.080 -5.661 1.00 0.00 O ATOM 0 H TYR B 47 0.034 -6.525 -3.238 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.204 -5.831 -0.810 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.179 -7.606 -3.083 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.198 -6.843 -1.879 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.743 -4.156 -1.759 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -3.007 -6.534 -5.057 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.883 -2.144 -3.152 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -3.150 -4.516 -6.450 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.576 -2.334 -6.607 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.226 -8.900 -0.997 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.096 -10.158 -0.279 1.00 0.00 C ATOM 1044 C ALA B 48 0.673 -9.984 1.030 1.00 0.00 C ATOM 1045 O ALA B 48 0.675 -10.883 1.864 1.00 0.00 O ATOM 1046 CB ALA B 48 0.579 -11.196 -1.161 1.00 0.00 C ATOM 0 H ALA B 48 0.385 -8.818 -1.810 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.098 -10.504 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.671 -12.134 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.020 -11.356 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.570 -10.843 -1.445 1.00 0.00 H new ATOM 1052 N ASP B 49 1.328 -8.832 1.194 1.00 0.00 N ATOM 1053 CA ASP B 49 2.086 -8.532 2.402 1.00 0.00 C ATOM 1054 C ASP B 49 1.320 -7.529 3.248 1.00 0.00 C ATOM 1055 O ASP B 49 1.669 -7.264 4.404 1.00 0.00 O ATOM 1056 CB ASP B 49 3.446 -7.919 2.099 1.00 0.00 C ATOM 1057 CG ASP B 49 4.061 -8.346 0.777 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.446 -7.447 -0.010 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.165 -9.562 0.520 1.00 0.00 O ATOM 0 H ASP B 49 1.346 -8.088 0.496 1.00 0.00 H new ATOM 0 HA ASP B 49 2.231 -9.479 2.922 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.348 -6.833 2.103 1.00 0.00 H new ATOM 0 HB3 ASP B 49 4.133 -8.180 2.904 1.00 0.00 H new ATOM 1064 N ILE B 50 0.277 -6.963 2.672 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.536 -5.997 3.383 1.00 0.00 C ATOM 1066 C ILE B 50 -1.639 -6.746 4.112 1.00 0.00 C ATOM 1067 O ILE B 50 -2.358 -7.535 3.502 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.183 -4.962 2.437 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.269 -4.634 1.249 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.537 -3.695 3.198 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.930 -3.784 1.599 1.00 0.00 C ATOM 0 H ILE B 50 -0.026 -7.155 1.717 1.00 0.00 H new ATOM 0 HA ILE B 50 0.110 -5.455 4.073 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.097 -5.403 2.040 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.079 -5.567 0.806 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.854 -4.119 0.487 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.992 -2.976 2.516 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.240 -3.934 3.996 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.633 -3.265 3.629 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.521 -3.601 0.701 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.594 -2.833 2.013 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.542 -4.304 2.336 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.778 -6.519 5.405 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.800 -7.209 6.164 1.00 0.00 C ATOM 1085 C LYS B 51 -4.115 -6.459 6.037 1.00 0.00 C ATOM 1086 O LYS B 51 -5.165 -7.049 5.806 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.410 -7.324 7.637 1.00 0.00 C ATOM 1088 CG LYS B 51 -3.345 -8.221 8.427 1.00 0.00 C ATOM 1089 CD LYS B 51 -3.229 -7.980 9.919 1.00 0.00 C ATOM 1090 CE LYS B 51 -4.548 -8.261 10.628 1.00 0.00 C ATOM 1091 NZ LYS B 51 -4.796 -9.719 10.801 1.00 0.00 N ATOM 0 H LYS B 51 -1.204 -5.871 5.944 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.907 -8.217 5.763 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.394 -7.713 7.709 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.404 -6.330 8.085 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.373 -8.045 8.109 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.118 -9.265 8.209 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -2.448 -8.617 10.333 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -2.928 -6.948 10.101 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -4.544 -7.777 11.605 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.366 -7.821 10.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -5.704 -9.861 11.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -4.827 -10.179 9.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -4.030 -10.137 11.368 1.00 0.00 H new ATOM 1105 N CYS B 52 -4.026 -5.149 6.168 1.00 0.00 N ATOM 1106 CA CYS B 52 -5.169 -4.273 6.087 1.00 0.00 C ATOM 1107 C CYS B 52 -4.682 -2.859 5.815 1.00 0.00 C ATOM 1108 O CYS B 52 -3.482 -2.637 5.663 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.957 -4.332 7.391 1.00 0.00 C ATOM 1110 SG CYS B 52 -4.933 -4.372 8.880 1.00 0.00 S ATOM 0 H CYS B 52 -3.146 -4.662 6.336 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.828 -4.587 5.277 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.617 -3.466 7.442 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.593 -5.217 7.378 1.00 0.00 H new ATOM 0 HG CYS B 52 -5.697 -4.419 9.931 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.587 -1.905 5.747 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.194 -0.536 5.495 1.00 0.00 C ATOM 1118 C GLN B 53 -6.080 0.445 6.262 1.00 0.00 C ATOM 1119 O GLN B 53 -7.281 0.216 6.414 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.227 -0.240 3.995 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.400 -0.868 3.248 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.595 0.057 3.110 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -7.457 1.279 3.105 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -8.778 -0.525 2.979 1.00 0.00 N ATOM 0 H GLN B 53 -6.590 -2.050 5.862 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.172 -0.406 5.852 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.259 0.840 3.852 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.298 -0.593 3.548 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -6.068 -1.170 2.255 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -6.710 -1.773 3.770 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.850 -1.542 2.988 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -9.617 0.044 2.869 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.481 1.520 6.769 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.231 2.535 7.497 1.00 0.00 C ATOM 1135 C LYS B 54 -6.333 3.799 6.665 1.00 0.00 C ATOM 1136 O LYS B 54 -5.488 4.056 5.809 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.547 2.948 8.802 1.00 0.00 C ATOM 1138 CG LYS B 54 -5.541 1.943 9.930 1.00 0.00 C ATOM 1139 CD LYS B 54 -5.181 2.652 11.229 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.953 1.707 12.400 1.00 0.00 C ATOM 1141 NZ LYS B 54 -4.261 0.452 11.993 1.00 0.00 N ATOM 0 H LYS B 54 -4.482 1.709 6.688 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.204 2.093 7.710 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.513 3.205 8.574 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -6.029 3.857 9.163 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.520 1.471 10.018 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.822 1.150 9.723 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.280 3.245 11.071 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.979 3.348 11.486 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -4.361 2.214 13.162 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.912 1.458 12.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -3.948 -0.063 12.841 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.916 -0.144 11.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -3.435 0.686 11.406 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.355 4.591 6.928 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.522 5.864 6.256 1.00 0.00 C ATOM 1157 C ILE B 55 -7.778 6.915 7.331 1.00 0.00 C ATOM 1158 O ILE B 55 -8.617 6.717 8.207 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.657 5.855 5.186 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -10.017 6.266 5.757 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.773 4.476 4.556 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.919 6.912 4.725 1.00 0.00 C ATOM 0 H ILE B 55 -8.085 4.373 7.606 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.615 6.091 5.695 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.381 6.594 4.434 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.514 5.387 6.167 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.864 6.960 6.583 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.568 4.482 3.811 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.829 4.214 4.077 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -9.004 3.742 5.328 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.868 7.181 5.189 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.439 7.809 4.333 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.100 6.211 3.910 1.00 0.00 H new ATOM 1174 N SER B 56 -7.018 7.996 7.324 1.00 0.00 N ATOM 1175 CA SER B 56 -7.202 9.016 8.332 1.00 0.00 C ATOM 1176 C SER B 56 -8.203 10.042 7.835 1.00 0.00 C ATOM 1177 O SER B 56 -7.972 10.724 6.815 1.00 0.00 O ATOM 1178 CB SER B 56 -5.878 9.670 8.733 1.00 0.00 C ATOM 1179 OG SER B 56 -5.591 10.805 7.949 1.00 0.00 O ATOM 0 H SER B 56 -6.282 8.186 6.644 1.00 0.00 H new ATOM 0 HA SER B 56 -7.595 8.546 9.233 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.919 9.956 9.784 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.070 8.945 8.631 1.00 0.00 H new ATOM 0 HG SER B 56 -5.068 11.444 8.477 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.325 10.117 8.566 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.461 11.000 8.284 1.00 0.00 C ATOM 1187 C PRO B 57 -10.162 12.471 8.506 1.00 0.00 C ATOM 1188 O PRO B 57 -9.081 12.846 8.973 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.517 10.537 9.292 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.716 10.019 10.429 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.558 9.325 9.789 1.00 0.00 C ATOM 0 HA PRO B 57 -10.757 10.932 7.237 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.164 11.358 9.600 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.161 9.765 8.871 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.383 10.827 11.080 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.298 9.333 11.044 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.683 9.320 10.438 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.789 8.285 9.558 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.126 13.293 8.127 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.040 14.729 8.286 1.00 0.00 C ATOM 1201 C GLU B 58 -10.840 15.083 9.759 1.00 0.00 C ATOM 1202 O GLU B 58 -11.153 14.294 10.651 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.304 15.403 7.733 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.432 15.337 6.212 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.386 13.918 5.669 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -11.615 13.664 4.722 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -13.091 13.046 6.215 1.00 0.00 O ATOM 0 H GLU B 58 -11.996 12.977 7.697 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.182 15.096 7.722 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.179 14.933 8.181 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.310 16.448 8.042 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.370 15.804 5.912 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.628 15.918 5.760 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.353 16.280 10.003 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.065 16.715 11.353 1.00 0.00 C ATOM 1216 C GLY B 59 -8.579 16.908 11.512 1.00 0.00 C ATOM 1217 O GLY B 59 -8.122 17.740 12.294 1.00 0.00 O ATOM 0 H GLY B 59 -10.147 16.972 9.282 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.588 17.647 11.566 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.425 15.977 12.069 1.00 0.00 H new ATOM 1221 N LYS B 60 -7.826 16.135 10.742 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.382 16.253 10.713 1.00 0.00 C ATOM 1223 C LYS B 60 -6.041 17.280 9.659 1.00 0.00 C ATOM 1224 O LYS B 60 -6.807 17.480 8.713 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.701 14.913 10.377 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.362 14.059 11.589 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.341 12.965 11.257 1.00 0.00 C ATOM 1228 CE LYS B 60 -3.820 12.269 12.509 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.146 13.019 13.751 1.00 0.00 N ATOM 0 H LYS B 60 -8.200 15.414 10.125 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.021 16.551 11.697 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.355 14.343 9.717 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.785 15.114 9.822 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.966 14.695 12.381 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.272 13.600 11.974 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -4.801 12.229 10.598 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.505 13.403 10.712 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.247 11.268 12.569 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.739 12.150 12.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -3.786 12.498 14.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -3.703 13.959 13.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.177 13.125 13.832 1.00 0.00 H new ATOM 1243 N ALA B 61 -4.914 17.940 9.816 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.493 18.944 8.855 1.00 0.00 C ATOM 1245 C ALA B 61 -4.087 18.293 7.556 1.00 0.00 C ATOM 1246 O ALA B 61 -3.851 18.962 6.552 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.338 19.738 9.409 1.00 0.00 C ATOM 0 H ALA B 61 -4.272 17.802 10.597 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.331 19.614 8.666 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.030 20.488 8.681 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.645 20.232 10.331 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.503 19.069 9.616 1.00 0.00 H new ATOM 1253 N LYS B 62 -4.004 16.981 7.586 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.627 16.238 6.423 1.00 0.00 C ATOM 1255 C LYS B 62 -4.462 14.975 6.299 1.00 0.00 C ATOM 1256 O LYS B 62 -4.792 14.335 7.299 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.150 15.862 6.489 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.778 15.060 7.723 1.00 0.00 C ATOM 1259 CD LYS B 62 -0.962 15.884 8.702 1.00 0.00 C ATOM 1260 CE LYS B 62 -0.110 14.994 9.587 1.00 0.00 C ATOM 1261 NZ LYS B 62 0.815 15.783 10.440 1.00 0.00 N ATOM 0 H LYS B 62 -4.195 16.413 8.411 1.00 0.00 H new ATOM 0 HA LYS B 62 -3.802 16.867 5.550 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -1.891 15.286 5.601 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.551 16.772 6.464 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -2.684 14.705 8.213 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -1.209 14.179 7.427 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.323 16.577 8.155 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -1.629 16.486 9.320 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.756 14.385 10.219 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.466 14.308 8.965 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 1.544 15.155 10.834 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 1.268 16.524 9.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 0.281 16.224 11.216 1.00 0.00 H new ATOM 1275 N ILE B 63 -4.816 14.636 5.078 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.564 13.426 4.816 1.00 0.00 C ATOM 1277 C ILE B 63 -4.552 12.293 4.733 1.00 0.00 C ATOM 1278 O ILE B 63 -3.550 12.424 4.035 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.369 13.551 3.505 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.597 14.437 3.724 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -6.788 12.190 2.987 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.380 15.898 3.384 1.00 0.00 C ATOM 0 H ILE B 63 -4.596 15.185 4.247 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.288 13.237 5.608 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.726 14.012 2.755 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.420 14.054 3.120 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -7.905 14.360 4.767 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.353 12.311 2.063 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -5.902 11.585 2.794 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.411 11.693 3.731 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.299 16.455 3.568 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.581 16.301 4.006 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.104 15.990 2.334 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.764 11.194 5.440 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.753 10.136 5.419 1.00 0.00 C ATOM 1296 C GLN B 64 -4.319 8.753 5.174 1.00 0.00 C ATOM 1297 O GLN B 64 -5.518 8.514 5.272 1.00 0.00 O ATOM 1298 CB GLN B 64 -2.965 10.097 6.729 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.571 11.453 7.281 1.00 0.00 C ATOM 1300 CD GLN B 64 -2.172 11.373 8.740 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -1.370 12.168 9.222 1.00 0.00 O ATOM 1302 NE2 GLN B 64 -2.735 10.406 9.456 1.00 0.00 N ATOM 0 H GLN B 64 -5.587 11.010 6.013 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.104 10.391 4.581 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.561 9.576 7.478 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.061 9.508 6.574 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.742 11.855 6.699 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -3.404 12.147 7.170 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -3.397 9.766 9.017 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.505 10.304 10.445 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.419 7.868 4.801 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.719 6.473 4.572 1.00 0.00 C ATOM 1313 C LEU B 65 -2.562 5.664 5.136 1.00 0.00 C ATOM 1314 O LEU B 65 -1.465 6.191 5.254 1.00 0.00 O ATOM 1315 CB LEU B 65 -3.851 6.186 3.084 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.718 4.982 2.739 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.159 5.408 2.531 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.178 4.271 1.517 1.00 0.00 C ATOM 0 H LEU B 65 -2.439 8.104 4.646 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.662 6.212 5.052 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.266 7.067 2.594 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.855 6.030 2.669 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.690 4.282 3.574 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.764 4.536 2.285 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.538 5.867 3.444 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.211 6.128 1.714 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.810 3.414 1.286 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.173 4.957 0.670 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.162 3.930 1.714 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.788 4.427 5.536 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.691 3.626 6.056 1.00 0.00 C ATOM 1332 C GLN B 66 -1.857 2.161 5.693 1.00 0.00 C ATOM 1333 O GLN B 66 -2.953 1.608 5.738 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.534 3.791 7.576 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.326 2.803 8.412 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.997 2.879 9.894 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -2.122 1.894 10.619 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.585 4.048 10.355 1.00 0.00 N ATOM 0 H GLN B 66 -3.696 3.962 5.514 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.779 3.993 5.586 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.478 3.695 7.830 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.837 4.801 7.850 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.391 2.989 8.272 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.129 1.793 8.053 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.494 4.842 9.722 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.358 4.155 11.344 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.754 1.557 5.313 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.720 0.161 4.951 1.00 0.00 C ATOM 1349 C LEU B 67 -0.329 -0.664 6.157 1.00 0.00 C ATOM 1350 O LEU B 67 0.829 -0.669 6.559 1.00 0.00 O ATOM 1351 CB LEU B 67 0.298 -0.074 3.840 1.00 0.00 C ATOM 1352 CG LEU B 67 -0.061 0.501 2.474 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.047 0.202 1.480 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.387 -0.066 1.987 1.00 0.00 C ATOM 0 H LEU B 67 0.150 2.025 5.246 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.709 -0.133 4.600 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.252 0.351 4.152 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.448 -1.148 3.732 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.168 1.582 2.564 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.784 0.616 0.506 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.977 0.652 1.826 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.176 -0.877 1.393 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.627 0.356 1.011 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.311 -1.150 1.905 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.174 0.190 2.696 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.290 -1.338 6.746 1.00 0.00 N ATOM 1367 CA VAL B 68 -1.024 -2.164 7.903 1.00 0.00 C ATOM 1368 C VAL B 68 -0.654 -3.554 7.437 1.00 0.00 C ATOM 1369 O VAL B 68 -1.490 -4.298 6.933 1.00 0.00 O ATOM 1370 CB VAL B 68 -2.231 -2.212 8.845 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.840 -2.820 10.177 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.789 -0.814 9.036 1.00 0.00 C ATOM 0 H VAL B 68 -2.264 -1.331 6.443 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.196 -1.732 8.465 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.003 -2.840 8.401 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.709 -2.846 10.834 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.473 -3.834 10.020 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.056 -2.217 10.636 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.647 -0.853 9.707 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.021 -0.171 9.467 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.100 -0.412 8.072 1.00 0.00 H new ATOM 1382 N LEU B 69 0.606 -3.900 7.591 1.00 0.00 N ATOM 1383 CA LEU B 69 1.098 -5.180 7.126 1.00 0.00 C ATOM 1384 C LEU B 69 1.068 -6.228 8.216 1.00 0.00 C ATOM 1385 O LEU B 69 1.075 -5.908 9.403 1.00 0.00 O ATOM 1386 CB LEU B 69 2.521 -5.023 6.603 1.00 0.00 C ATOM 1387 CG LEU B 69 2.805 -3.673 5.957 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.214 -3.621 5.423 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.829 -3.399 4.836 1.00 0.00 C ATOM 0 H LEU B 69 1.310 -3.311 8.036 1.00 0.00 H new ATOM 0 HA LEU B 69 0.440 -5.517 6.325 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.218 -5.172 7.428 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.717 -5.810 5.875 1.00 0.00 H new ATOM 0 HG LEU B 69 2.688 -2.907 6.724 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.394 -2.648 4.966 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.919 -3.774 6.240 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.349 -4.403 4.676 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.051 -2.430 4.389 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.918 -4.177 4.078 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.813 -3.392 5.231 1.00 0.00 H new ATOM 1401 N HIS B 70 1.041 -7.487 7.805 1.00 0.00 N ATOM 1402 CA HIS B 70 1.049 -8.586 8.757 1.00 0.00 C ATOM 1403 C HIS B 70 2.478 -8.834 9.208 1.00 0.00 C ATOM 1404 O HIS B 70 2.756 -9.732 9.999 1.00 0.00 O ATOM 1405 CB HIS B 70 0.436 -9.868 8.175 1.00 0.00 C ATOM 1406 CG HIS B 70 0.513 -9.975 6.683 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.556 -9.756 5.847 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.561 -10.280 5.872 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.132 -9.926 4.594 1.00 0.00 C ATOM 1410 NE2 HIS B 70 1.138 -10.254 4.565 1.00 0.00 N ATOM 0 H HIS B 70 1.014 -7.771 6.826 1.00 0.00 H new ATOM 0 HA HIS B 70 0.429 -8.306 9.609 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.941 -10.728 8.614 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.610 -9.924 8.477 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.503 -9.508 6.133 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.564 -10.506 6.202 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -0.753 -9.809 3.718 1.00 0.00 H new ATOM 1418 N ALA B 71 3.374 -8.014 8.676 1.00 0.00 N ATOM 1419 CA ALA B 71 4.784 -8.071 8.999 1.00 0.00 C ATOM 1420 C ALA B 71 5.019 -7.446 10.369 1.00 0.00 C ATOM 1421 O ALA B 71 6.059 -7.649 10.992 1.00 0.00 O ATOM 1422 CB ALA B 71 5.578 -7.338 7.926 1.00 0.00 C ATOM 0 H ALA B 71 3.136 -7.286 8.003 1.00 0.00 H new ATOM 0 HA ALA B 71 5.117 -9.109 9.031 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.640 -7.380 8.167 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.407 -7.811 6.959 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.256 -6.297 7.882 1.00 0.00 H new ATOM 1428 N GLY B 72 4.021 -6.697 10.832 1.00 0.00 N ATOM 1429 CA GLY B 72 4.108 -6.045 12.120 1.00 0.00 C ATOM 1430 C GLY B 72 4.374 -4.563 11.986 1.00 0.00 C ATOM 1431 O GLY B 72 4.608 -3.875 12.981 1.00 0.00 O ATOM 0 H GLY B 72 3.148 -6.532 10.330 1.00 0.00 H new ATOM 0 HA2 GLY B 72 3.178 -6.199 12.668 1.00 0.00 H new ATOM 0 HA3 GLY B 72 4.903 -6.505 12.706 1.00 0.00 H new ATOM 1435 N ASP B 73 4.330 -4.067 10.758 1.00 0.00 N ATOM 1436 CA ASP B 73 4.588 -2.654 10.502 1.00 0.00 C ATOM 1437 C ASP B 73 3.458 -2.005 9.714 1.00 0.00 C ATOM 1438 O ASP B 73 2.546 -2.681 9.229 1.00 0.00 O ATOM 1439 CB ASP B 73 5.923 -2.466 9.778 1.00 0.00 C ATOM 1440 CG ASP B 73 5.890 -2.960 8.350 1.00 0.00 C ATOM 1441 OD1 ASP B 73 5.624 -4.165 8.145 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.133 -2.146 7.436 1.00 0.00 O ATOM 0 H ASP B 73 4.119 -4.617 9.926 1.00 0.00 H new ATOM 0 HA ASP B 73 4.643 -2.156 11.470 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.190 -1.409 9.786 1.00 0.00 H new ATOM 0 HB3 ASP B 73 6.704 -2.996 10.323 1.00 0.00 H new ATOM 1447 N THR B 74 3.521 -0.684 9.612 1.00 0.00 N ATOM 1448 CA THR B 74 2.515 0.088 8.907 1.00 0.00 C ATOM 1449 C THR B 74 3.168 1.180 8.053 1.00 0.00 C ATOM 1450 O THR B 74 4.033 1.911 8.531 1.00 0.00 O ATOM 1451 CB THR B 74 1.546 0.756 9.902 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.279 1.326 10.995 1.00 0.00 O ATOM 1453 CG2 THR B 74 0.539 -0.244 10.443 1.00 0.00 C ATOM 0 H THR B 74 4.270 -0.122 10.016 1.00 0.00 H new ATOM 0 HA THR B 74 1.965 -0.599 8.264 1.00 0.00 H new ATOM 0 HB THR B 74 1.008 1.540 9.369 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.084 1.769 10.654 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.131 0.256 11.142 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.041 -0.659 9.618 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.065 -1.048 10.957 1.00 0.00 H new ATOM 1461 N THR B 75 2.755 1.282 6.800 1.00 0.00 N ATOM 1462 CA THR B 75 3.289 2.287 5.888 1.00 0.00 C ATOM 1463 C THR B 75 2.289 3.432 5.697 1.00 0.00 C ATOM 1464 O THR B 75 1.231 3.233 5.109 1.00 0.00 O ATOM 1465 CB THR B 75 3.598 1.650 4.519 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.310 0.419 4.707 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.419 2.592 3.650 1.00 0.00 C ATOM 0 H THR B 75 2.046 0.677 6.386 1.00 0.00 H new ATOM 0 HA THR B 75 4.206 2.685 6.322 1.00 0.00 H new ATOM 0 HB THR B 75 2.653 1.453 4.012 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.364 -0.061 3.854 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.623 2.117 2.690 1.00 0.00 H new ATOM 0 HG22 THR B 75 3.862 3.515 3.487 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.361 2.819 4.149 1.00 0.00 H new ATOM 1475 N ASN B 76 2.616 4.628 6.180 1.00 0.00 N ATOM 1476 CA ASN B 76 1.697 5.764 6.052 1.00 0.00 C ATOM 1477 C ASN B 76 1.835 6.465 4.710 1.00 0.00 C ATOM 1478 O ASN B 76 2.877 6.416 4.062 1.00 0.00 O ATOM 1479 CB ASN B 76 1.907 6.798 7.164 1.00 0.00 C ATOM 1480 CG ASN B 76 1.047 6.558 8.391 1.00 0.00 C ATOM 1481 OD1 ASN B 76 0.732 7.627 9.111 1.00 0.00 O flip ATOM 1482 ND2 ASN B 76 0.670 5.430 8.694 1.00 0.00 N flip ATOM 0 H ASN B 76 3.493 4.838 6.656 1.00 0.00 H new ATOM 0 HA ASN B 76 0.696 5.341 6.134 1.00 0.00 H new ATOM 0 HB2 ASN B 76 2.956 6.792 7.460 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.692 7.791 6.770 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.932 4.632 8.116 1.00 0.00 H new ATOM 0 HD22 ASN B 76 0.094 5.291 9.524 1.00 0.00 H new ATOM 1489 N PHE B 77 0.752 7.098 4.302 1.00 0.00 N ATOM 1490 CA PHE B 77 0.703 7.856 3.072 1.00 0.00 C ATOM 1491 C PHE B 77 0.044 9.192 3.354 1.00 0.00 C ATOM 1492 O PHE B 77 -1.148 9.267 3.662 1.00 0.00 O ATOM 1493 CB PHE B 77 -0.037 7.088 1.979 1.00 0.00 C ATOM 1494 CG PHE B 77 0.810 6.015 1.366 1.00 0.00 C ATOM 1495 CD1 PHE B 77 0.459 4.682 1.477 1.00 0.00 C ATOM 1496 CD2 PHE B 77 1.973 6.347 0.690 1.00 0.00 C ATOM 1497 CE1 PHE B 77 1.253 3.698 0.921 1.00 0.00 C ATOM 1498 CE2 PHE B 77 2.768 5.369 0.133 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.409 4.043 0.248 1.00 0.00 C ATOM 0 H PHE B 77 -0.126 7.099 4.822 1.00 0.00 H new ATOM 0 HA PHE B 77 1.716 8.023 2.705 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.938 6.641 2.399 1.00 0.00 H new ATOM 0 HB3 PHE B 77 -0.357 7.783 1.203 1.00 0.00 H new ATOM 0 HD1 PHE B 77 -0.444 4.408 2.003 1.00 0.00 H new ATOM 0 HD2 PHE B 77 2.260 7.384 0.599 1.00 0.00 H new ATOM 0 HE1 PHE B 77 0.970 2.660 1.012 1.00 0.00 H new ATOM 0 HE2 PHE B 77 3.671 5.641 -0.393 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.031 3.275 -0.188 1.00 0.00 H new ATOM 1509 N HIS B 78 0.843 10.228 3.261 1.00 0.00 N ATOM 1510 CA HIS B 78 0.417 11.585 3.538 1.00 0.00 C ATOM 1511 C HIS B 78 -0.189 12.224 2.294 1.00 0.00 C ATOM 1512 O HIS B 78 0.533 12.696 1.425 1.00 0.00 O ATOM 1513 CB HIS B 78 1.656 12.363 3.962 1.00 0.00 C ATOM 1514 CG HIS B 78 1.437 13.471 4.928 1.00 0.00 C ATOM 1515 ND1 HIS B 78 2.043 13.511 6.161 1.00 0.00 N ATOM 1516 CD2 HIS B 78 0.731 14.621 4.815 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.701 14.655 6.749 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.907 15.372 5.974 1.00 0.00 N ATOM 0 H HIS B 78 1.823 10.154 2.987 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.343 11.592 4.319 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.367 11.662 4.400 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.124 12.775 3.068 1.00 0.00 H new ATOM 0 HD1 HIS B 78 2.648 12.791 6.556 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.130 14.908 3.965 1.00 0.00 H new ATOM 0 HE1 HIS B 78 2.030 14.958 7.732 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.506 12.236 2.211 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.190 12.826 1.068 1.00 0.00 C ATOM 1528 C PHE B 79 -2.179 14.350 1.188 1.00 0.00 C ATOM 1529 O PHE B 79 -3.031 14.935 1.861 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.629 12.315 0.989 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.761 10.948 0.383 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.534 9.806 1.135 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -4.120 10.808 -0.943 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -3.666 8.549 0.569 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -4.251 9.559 -1.511 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.026 8.430 -0.761 1.00 0.00 C ATOM 0 H PHE B 79 -2.127 11.845 2.920 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.668 12.536 0.156 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.053 12.298 1.993 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.222 13.019 0.404 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.251 9.897 2.173 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -4.300 11.688 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -3.489 7.665 1.164 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.532 9.467 -2.550 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.130 7.453 -1.209 1.00 0.00 H new ATOM 1546 N SER B 80 -1.211 14.987 0.544 1.00 0.00 N ATOM 1547 CA SER B 80 -1.076 16.435 0.598 1.00 0.00 C ATOM 1548 C SER B 80 -1.639 17.118 -0.652 1.00 0.00 C ATOM 1549 O SER B 80 -1.521 18.334 -0.803 1.00 0.00 O ATOM 1550 CB SER B 80 0.398 16.811 0.799 1.00 0.00 C ATOM 1551 OG SER B 80 1.261 15.838 0.226 1.00 0.00 O ATOM 0 H SER B 80 -0.504 14.520 -0.025 1.00 0.00 H new ATOM 0 HA SER B 80 -1.663 16.791 1.445 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.592 17.784 0.347 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.610 16.906 1.864 1.00 0.00 H new ATOM 0 HG SER B 80 2.122 16.253 0.007 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.251 16.346 -1.547 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.825 16.920 -2.764 1.00 0.00 C ATOM 1559 C ASN B 81 -4.186 17.542 -2.465 1.00 0.00 C ATOM 1560 O ASN B 81 -5.216 16.885 -2.555 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.954 15.865 -3.870 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.345 16.463 -5.217 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.857 15.765 -6.095 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -3.103 17.754 -5.401 1.00 0.00 N ATOM 0 H ASN B 81 -2.362 15.336 -1.456 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.150 17.698 -3.119 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -2.006 15.337 -3.974 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.700 15.127 -3.576 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -3.342 18.196 -6.289 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -2.678 18.305 -4.655 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.163 18.824 -2.139 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.362 19.598 -1.801 1.00 0.00 C ATOM 1573 C GLU B 82 -6.544 19.319 -2.737 1.00 0.00 C ATOM 1574 O GLU B 82 -7.685 19.183 -2.286 1.00 0.00 O ATOM 1575 CB GLU B 82 -5.048 21.104 -1.823 1.00 0.00 C ATOM 1576 CG GLU B 82 -3.717 21.479 -2.483 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.573 20.954 -3.902 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -4.422 21.286 -4.758 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -2.624 20.177 -4.151 1.00 0.00 O ATOM 0 H GLU B 82 -3.303 19.370 -2.099 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.656 19.283 -0.800 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -5.853 21.620 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -5.045 21.474 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -3.620 22.565 -2.494 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -2.898 21.092 -1.876 1.00 0.00 H new ATOM 1586 N SER B 83 -6.261 19.224 -4.026 1.00 0.00 N ATOM 1587 CA SER B 83 -7.284 18.999 -5.035 1.00 0.00 C ATOM 1588 C SER B 83 -8.100 17.727 -4.811 1.00 0.00 C ATOM 1589 O SER B 83 -9.326 17.792 -4.652 1.00 0.00 O ATOM 1590 CB SER B 83 -6.638 18.971 -6.422 1.00 0.00 C ATOM 1591 OG SER B 83 -5.256 19.293 -6.355 1.00 0.00 O ATOM 0 H SER B 83 -5.316 19.301 -4.403 1.00 0.00 H new ATOM 0 HA SER B 83 -7.988 19.828 -4.956 1.00 0.00 H new ATOM 0 HB2 SER B 83 -6.762 17.982 -6.863 1.00 0.00 H new ATOM 0 HB3 SER B 83 -7.147 19.678 -7.077 1.00 0.00 H new ATOM 0 HG SER B 83 -5.148 20.197 -5.991 1.00 0.00 H new ATOM 1597 N THR B 84 -7.459 16.571 -4.790 1.00 0.00 N ATOM 1598 CA THR B 84 -8.212 15.337 -4.661 1.00 0.00 C ATOM 1599 C THR B 84 -7.760 14.394 -3.541 1.00 0.00 C ATOM 1600 O THR B 84 -8.283 13.296 -3.456 1.00 0.00 O ATOM 1601 CB THR B 84 -8.206 14.608 -6.014 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.872 14.566 -6.546 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.112 15.340 -6.991 1.00 0.00 C ATOM 0 H THR B 84 -6.447 16.461 -4.859 1.00 0.00 H new ATOM 0 HA THR B 84 -9.219 15.632 -4.367 1.00 0.00 H new ATOM 0 HB THR B 84 -8.567 13.590 -5.868 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.232 14.446 -5.814 1.00 0.00 H new ATOM 0 HG21 THR B 84 -9.107 14.822 -7.950 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.128 15.364 -6.597 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.752 16.360 -7.127 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.852 14.830 -2.667 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.329 13.981 -1.575 1.00 0.00 C ATOM 1613 C ALA B 85 -7.411 13.179 -0.852 1.00 0.00 C ATOM 1614 O ALA B 85 -7.250 11.987 -0.629 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.567 14.819 -0.560 1.00 0.00 C ATOM 0 H ALA B 85 -6.456 15.770 -2.688 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.661 13.265 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.191 14.175 0.235 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.730 15.314 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.233 15.569 -0.134 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.499 13.835 -0.474 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.596 13.161 0.221 1.00 0.00 C ATOM 1623 C VAL B 86 -10.168 12.017 -0.631 1.00 0.00 C ATOM 1624 O VAL B 86 -10.252 10.879 -0.181 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.707 14.174 0.600 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.088 13.529 0.623 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.413 14.808 1.944 1.00 0.00 C ATOM 0 H VAL B 86 -8.649 14.831 -0.635 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.199 12.729 1.140 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.712 14.945 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -12.834 14.276 0.893 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.318 13.127 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.101 12.722 1.356 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.204 15.516 2.193 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.365 14.033 2.709 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.458 15.332 1.898 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.516 12.327 -1.876 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.073 11.336 -2.802 1.00 0.00 C ATOM 1639 C LYS B 87 -10.009 10.307 -3.158 1.00 0.00 C ATOM 1640 O LYS B 87 -10.305 9.132 -3.352 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.574 12.031 -4.077 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.455 13.253 -3.827 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.638 14.541 -3.801 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.525 15.776 -3.882 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.745 17.038 -3.727 1.00 0.00 N ATOM 0 H LYS B 87 -10.423 13.262 -2.273 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.911 10.832 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.713 12.335 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.135 11.310 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.215 13.319 -4.606 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.980 13.136 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -11.047 14.578 -2.886 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -10.936 14.543 -4.635 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.044 15.787 -4.840 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -13.289 15.725 -3.106 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.336 17.848 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -11.453 17.146 -2.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -10.901 17.001 -4.334 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.771 10.768 -3.251 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.646 9.906 -3.549 1.00 0.00 C ATOM 1661 C GLU B 88 -7.462 8.915 -2.409 1.00 0.00 C ATOM 1662 O GLU B 88 -7.287 7.725 -2.643 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.394 10.749 -3.798 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.228 11.128 -5.261 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.173 12.189 -5.489 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -5.306 13.294 -4.933 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -4.224 11.938 -6.260 1.00 0.00 O ATOM 0 H GLU B 88 -8.522 11.749 -3.122 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.833 9.337 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.445 11.655 -3.195 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.515 10.195 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.967 10.237 -5.832 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.183 11.486 -5.647 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.536 9.416 -1.175 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.435 8.576 0.017 1.00 0.00 C ATOM 1676 C ARG B 89 -8.471 7.479 -0.086 1.00 0.00 C ATOM 1677 O ARG B 89 -8.193 6.300 0.116 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.720 9.403 1.275 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.702 8.606 2.568 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.533 9.293 3.644 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.867 9.655 3.157 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.578 10.694 3.601 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.108 11.478 4.564 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.769 10.946 3.079 1.00 0.00 N ATOM 0 H ARG B 89 -7.667 10.408 -0.975 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.430 8.160 0.084 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -6.982 10.202 1.345 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.695 9.878 1.169 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.091 7.604 2.387 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.675 8.491 2.914 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.628 8.633 4.506 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -8.015 10.190 3.985 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.281 9.073 2.429 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.193 11.290 4.974 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.662 12.269 4.894 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.139 10.347 2.341 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.316 11.739 3.415 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.669 7.913 -0.422 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.809 7.042 -0.585 1.00 0.00 C ATOM 1700 C ASP B 90 -10.603 6.021 -1.702 1.00 0.00 C ATOM 1701 O ASP B 90 -10.871 4.847 -1.507 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.055 7.902 -0.810 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.756 8.214 0.497 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -13.674 7.453 0.872 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -12.366 9.190 1.170 1.00 0.00 O ATOM 0 H ASP B 90 -9.878 8.897 -0.592 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.940 6.453 0.323 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.773 8.832 -1.304 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.742 7.382 -1.478 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.091 6.452 -2.847 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.858 5.540 -3.969 1.00 0.00 C ATOM 1712 C ALA B 91 -8.738 4.550 -3.659 1.00 0.00 C ATOM 1713 O ALA B 91 -8.845 3.374 -3.998 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.547 6.323 -5.234 1.00 0.00 C ATOM 0 H ALA B 91 -9.829 7.421 -3.027 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.771 4.967 -4.129 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.376 5.630 -6.058 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.388 6.974 -5.475 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.654 6.927 -5.077 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.658 5.021 -3.030 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.560 4.130 -2.653 1.00 0.00 C ATOM 1722 C VAL B 92 -7.115 3.114 -1.666 1.00 0.00 C ATOM 1723 O VAL B 92 -6.838 1.920 -1.754 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.381 4.886 -2.005 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.225 3.939 -1.736 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.918 6.024 -2.891 1.00 0.00 C ATOM 0 H VAL B 92 -7.522 5.999 -2.775 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.171 3.652 -3.552 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.728 5.300 -1.058 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.403 4.489 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.552 3.148 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.889 3.499 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.086 6.542 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.594 5.627 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.740 6.723 -3.045 1.00 0.00 H new ATOM 1736 N LYS B 93 -7.936 3.622 -0.747 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.602 2.805 0.256 1.00 0.00 C ATOM 1738 C LYS B 93 -9.469 1.766 -0.433 1.00 0.00 C ATOM 1739 O LYS B 93 -9.306 0.574 -0.228 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.481 3.692 1.148 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.461 2.927 2.031 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.900 3.109 1.562 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.323 4.569 1.609 1.00 0.00 C ATOM 1744 NZ LYS B 93 -13.537 4.831 0.789 1.00 0.00 N ATOM 0 H LYS B 93 -8.156 4.616 -0.681 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.852 2.307 0.870 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.836 4.299 1.784 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.042 4.379 0.515 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.207 1.867 2.024 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.367 3.270 3.061 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.002 2.732 0.544 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -12.566 2.516 2.189 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.516 4.856 2.643 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.504 5.194 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.534 5.821 0.471 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.539 4.201 -0.039 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -14.387 4.654 1.361 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.378 2.256 -1.262 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.304 1.423 -2.015 1.00 0.00 C ATOM 1760 C ASP B 94 -10.588 0.361 -2.825 1.00 0.00 C ATOM 1761 O ASP B 94 -10.895 -0.818 -2.707 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.151 2.308 -2.933 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.447 2.751 -2.281 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -13.434 3.757 -1.542 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -14.478 2.087 -2.500 1.00 0.00 O ATOM 0 H ASP B 94 -10.495 3.255 -1.433 1.00 0.00 H new ATOM 0 HA ASP B 94 -11.945 0.904 -1.303 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.573 3.187 -3.219 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.377 1.763 -3.850 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.625 0.776 -3.629 1.00 0.00 N ATOM 1771 CA LEU B 95 -8.876 -0.153 -4.464 1.00 0.00 C ATOM 1772 C LEU B 95 -8.133 -1.177 -3.613 1.00 0.00 C ATOM 1773 O LEU B 95 -8.129 -2.350 -3.945 1.00 0.00 O ATOM 1774 CB LEU B 95 -7.901 0.601 -5.368 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.490 -0.141 -6.641 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.703 -0.407 -7.521 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.441 0.652 -7.405 1.00 0.00 C ATOM 0 H LEU B 95 -9.341 1.751 -3.723 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.587 -0.688 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.353 1.552 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.003 0.832 -4.795 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.057 -1.099 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.390 -0.936 -8.422 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.423 -1.016 -6.974 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.166 0.540 -7.798 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.160 0.109 -8.308 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.849 1.625 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.561 0.791 -6.777 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.511 -0.744 -2.523 1.00 0.00 N ATOM 1790 CA LEU B 96 -6.806 -1.674 -1.639 1.00 0.00 C ATOM 1791 C LEU B 96 -7.818 -2.578 -0.949 1.00 0.00 C ATOM 1792 O LEU B 96 -7.628 -3.778 -0.868 1.00 0.00 O ATOM 1793 CB LEU B 96 -5.996 -0.918 -0.584 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.662 -0.349 -1.062 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.200 0.759 -0.131 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.615 -1.443 -1.133 1.00 0.00 C ATOM 0 H LEU B 96 -7.478 0.232 -2.229 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.119 -2.270 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.605 -0.098 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.805 -1.590 0.253 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.800 0.066 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.248 1.156 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.943 1.556 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.077 0.360 0.876 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.670 -1.021 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.479 -1.882 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.942 -2.214 -1.830 1.00 0.00 H new ATOM 1808 N GLN B 97 -8.905 -1.989 -0.477 1.00 0.00 N ATOM 1809 CA GLN B 97 -9.976 -2.729 0.183 1.00 0.00 C ATOM 1810 C GLN B 97 -10.570 -3.744 -0.796 1.00 0.00 C ATOM 1811 O GLN B 97 -11.148 -4.759 -0.413 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.046 -1.742 0.667 1.00 0.00 C ATOM 1813 CG GLN B 97 -12.292 -2.391 1.231 1.00 0.00 C ATOM 1814 CD GLN B 97 -12.602 -1.928 2.640 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -13.399 -1.014 2.846 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -11.945 -2.531 3.615 1.00 0.00 N ATOM 0 H GLN B 97 -9.073 -0.985 -0.539 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.585 -3.270 1.045 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -10.609 -1.099 1.431 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -11.332 -1.099 -0.165 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -13.140 -2.166 0.584 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -12.167 -3.474 1.227 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.293 -3.285 3.400 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -12.090 -2.242 4.582 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.402 -3.435 -2.068 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.865 -4.264 -3.162 1.00 0.00 C ATOM 1827 C GLN B 98 -9.842 -5.346 -3.490 1.00 0.00 C ATOM 1828 O GLN B 98 -10.152 -6.533 -3.603 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.034 -3.376 -4.403 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.398 -2.722 -4.538 1.00 0.00 C ATOM 1831 CD GLN B 98 -13.545 -3.683 -4.344 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -13.466 -4.859 -4.710 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -14.616 -3.183 -3.756 1.00 0.00 N ATOM 0 H GLN B 98 -9.931 -2.584 -2.374 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.805 -4.735 -2.876 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.273 -2.596 -4.380 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.846 -3.978 -5.292 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.481 -1.917 -3.808 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.478 -2.266 -5.525 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.631 -2.203 -3.472 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -15.428 -3.776 -3.586 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.622 -4.886 -3.643 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.478 -5.691 -4.030 1.00 0.00 C ATOM 1844 C LEU B 99 -6.885 -6.559 -2.919 1.00 0.00 C ATOM 1845 O LEU B 99 -6.647 -7.746 -3.130 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.429 -4.719 -4.561 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.570 -4.394 -6.048 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.817 -3.120 -6.391 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.082 -5.555 -6.900 1.00 0.00 C ATOM 0 H LEU B 99 -8.386 -3.904 -3.497 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.810 -6.413 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.488 -3.792 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.439 -5.139 -4.385 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.626 -4.234 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.930 -2.906 -7.454 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.220 -2.291 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.760 -3.248 -6.157 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.191 -5.303 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.033 -5.752 -6.680 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.672 -6.444 -6.676 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.670 -5.980 -1.747 1.00 0.00 N ATOM 1862 CA LEU B 100 -6.044 -6.684 -0.625 1.00 0.00 C ATOM 1863 C LEU B 100 -6.672 -8.047 -0.309 1.00 0.00 C ATOM 1864 O LEU B 100 -5.960 -9.049 -0.298 1.00 0.00 O ATOM 1865 CB LEU B 100 -6.000 -5.800 0.624 1.00 0.00 C ATOM 1866 CG LEU B 100 -4.956 -4.691 0.537 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.872 -3.887 1.820 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.605 -5.274 0.211 1.00 0.00 C ATOM 0 H LEU B 100 -6.921 -5.013 -1.542 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.025 -6.897 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.982 -5.354 0.781 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.789 -6.422 1.494 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.266 -4.014 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.116 -3.109 1.713 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.839 -3.428 2.026 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.600 -4.546 2.645 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.868 -4.473 0.151 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.314 -5.977 0.991 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.654 -5.794 -0.746 1.00 0.00 H new ATOM 1880 N PRO B 101 -8.001 -8.133 -0.070 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.656 -9.411 0.259 1.00 0.00 C ATOM 1882 C PRO B 101 -8.520 -10.462 -0.842 1.00 0.00 C ATOM 1883 O PRO B 101 -8.743 -11.648 -0.607 1.00 0.00 O ATOM 1884 CB PRO B 101 -10.129 -9.030 0.451 1.00 0.00 C ATOM 1885 CG PRO B 101 -10.284 -7.729 -0.253 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.970 -7.023 -0.096 1.00 0.00 C ATOM 0 HA PRO B 101 -8.199 -9.870 1.136 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.791 -9.788 0.031 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.379 -8.939 1.508 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.524 -7.880 -1.305 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.096 -7.145 0.179 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -8.778 -6.338 -0.922 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.935 -6.434 0.821 1.00 0.00 H new ATOM 1894 N LYS B 102 -8.158 -10.025 -2.042 1.00 0.00 N ATOM 1895 CA LYS B 102 -7.995 -10.938 -3.164 1.00 0.00 C ATOM 1896 C LYS B 102 -6.578 -11.508 -3.209 1.00 0.00 C ATOM 1897 O LYS B 102 -6.291 -12.413 -3.993 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.329 -10.236 -4.483 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.815 -9.958 -4.660 1.00 0.00 C ATOM 1900 CD LYS B 102 -10.167 -9.705 -6.119 1.00 0.00 C ATOM 1901 CE LYS B 102 -10.081 -8.229 -6.477 1.00 0.00 C ATOM 1902 NZ LYS B 102 -11.186 -7.441 -5.861 1.00 0.00 N ATOM 0 H LYS B 102 -7.972 -9.046 -2.262 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.689 -11.767 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.782 -9.294 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.981 -10.852 -5.312 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.391 -10.805 -4.288 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -10.098 -9.092 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.492 -10.273 -6.759 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -11.175 -10.068 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.122 -7.830 -6.145 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -10.115 -8.116 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -11.404 -6.621 -6.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -12.032 -8.040 -5.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -10.894 -7.112 -4.919 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.695 -10.972 -2.374 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.313 -11.438 -2.329 1.00 0.00 C ATOM 1918 C PHE B 103 -3.958 -11.986 -0.949 1.00 0.00 C ATOM 1919 O PHE B 103 -3.195 -12.944 -0.835 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.349 -10.310 -2.703 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.392 -9.937 -4.159 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -4.244 -8.942 -4.610 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -2.576 -10.580 -5.075 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -4.283 -8.596 -5.947 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -2.612 -10.239 -6.415 1.00 0.00 C ATOM 1926 CZ PHE B 103 -3.466 -9.245 -6.850 1.00 0.00 C ATOM 0 H PHE B 103 -5.909 -10.218 -1.722 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.215 -12.244 -3.056 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.584 -9.430 -2.104 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.334 -10.610 -2.444 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.886 -8.431 -3.908 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.904 -11.356 -4.739 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -4.952 -7.819 -6.285 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -1.973 -10.750 -7.120 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.494 -8.976 -7.896 1.00 0.00 H new