USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 SER OG : rot 7:sc= 1.11 USER MOD Set 1.2: A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.506 K(o=-0.51,f=-2.4) USER MOD Single : A 25 ASN : amide:sc= 0.308 K(o=0.31,f=-5.3!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0864 USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= -0.298 (180deg=-0.988) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -3:sc= 1.86 USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= -1.36 (180deg=-1.43) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.14 K(o=-3.1,f=-3.7!) USER MOD Single : A 83 SER OG : rot 180:sc= -1.79 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.7!) USER MOD Single : A 105 ASN : amide:sc= -0.338 K(o=-0.34,f=-2.4!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -147:sc= -0.0222 (180deg=-0.314) USER MOD Single : A 112 ASN : amide:sc= -0.984 K(o=-0.98,f=-3.7!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 10.007 -6.156 -17.168 1.00 0.00 N ATOM 2 CA ALA A 21 10.421 -5.394 -15.954 1.00 0.00 C ATOM 3 C ALA A 21 9.295 -5.339 -14.936 1.00 0.00 C ATOM 4 O ALA A 21 9.390 -5.932 -13.855 1.00 0.00 O ATOM 5 CB ALA A 21 10.849 -3.987 -16.343 1.00 0.00 C ATOM 0 HA ALA A 21 11.265 -5.910 -15.497 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.149 -3.438 -15.450 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.689 -4.041 -17.036 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.016 -3.473 -16.822 1.00 0.00 H new ATOM 13 N MET A 22 8.227 -4.622 -15.267 1.00 0.00 N ATOM 14 CA MET A 22 7.082 -4.490 -14.374 1.00 0.00 C ATOM 15 C MET A 22 7.493 -3.842 -13.064 1.00 0.00 C ATOM 16 O MET A 22 8.680 -3.698 -12.767 1.00 0.00 O ATOM 17 CB MET A 22 6.454 -5.860 -14.109 1.00 0.00 C ATOM 18 CG MET A 22 6.274 -6.699 -15.363 1.00 0.00 C ATOM 19 SD MET A 22 4.761 -7.679 -15.340 1.00 0.00 S ATOM 20 CE MET A 22 4.521 -7.986 -17.088 1.00 0.00 C ATOM 0 H MET A 22 8.130 -4.122 -16.151 1.00 0.00 H new ATOM 0 HA MET A 22 6.344 -3.851 -14.858 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.079 -6.407 -13.403 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.483 -5.720 -13.633 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.263 -6.044 -16.234 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.130 -7.364 -15.475 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.620 -8.583 -17.232 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.415 -7.037 -17.613 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.381 -8.526 -17.484 1.00 0.00 H new ATOM 30 N ALA A 23 6.502 -3.451 -12.261 1.00 0.00 N ATOM 31 CA ALA A 23 6.760 -2.817 -10.973 1.00 0.00 C ATOM 32 C ALA A 23 7.538 -1.517 -11.147 1.00 0.00 C ATOM 33 O ALA A 23 7.829 -1.102 -12.269 1.00 0.00 O ATOM 34 CB ALA A 23 7.517 -3.770 -10.068 1.00 0.00 C ATOM 0 H ALA A 23 5.513 -3.564 -12.483 1.00 0.00 H new ATOM 0 HA ALA A 23 5.802 -2.575 -10.512 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.705 -3.288 -9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.924 -4.671 -9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.466 -4.036 -10.533 1.00 0.00 H new ATOM 40 N GLN A 24 7.872 -0.880 -10.030 1.00 0.00 N ATOM 41 CA GLN A 24 8.616 0.373 -10.059 1.00 0.00 C ATOM 42 C GLN A 24 9.708 0.384 -8.995 1.00 0.00 C ATOM 43 O GLN A 24 9.572 -0.245 -7.946 1.00 0.00 O ATOM 44 CB GLN A 24 7.671 1.557 -9.847 1.00 0.00 C ATOM 45 CG GLN A 24 6.609 1.689 -10.925 1.00 0.00 C ATOM 46 CD GLN A 24 7.200 1.947 -12.298 1.00 0.00 C ATOM 47 OE1 GLN A 24 8.396 2.209 -12.431 1.00 0.00 O ATOM 48 NE2 GLN A 24 6.363 1.877 -13.326 1.00 0.00 N ATOM 0 H GLN A 24 7.639 -1.211 -9.094 1.00 0.00 H new ATOM 0 HA GLN A 24 9.087 0.463 -11.038 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.182 1.452 -8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.256 2.476 -9.811 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.013 0.777 -10.956 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.933 2.504 -10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.380 1.657 -13.169 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.703 2.043 -14.273 1.00 0.00 H new ATOM 57 N ASN A 25 10.791 1.103 -9.280 1.00 0.00 N ATOM 58 CA ASN A 25 11.907 1.196 -8.344 1.00 0.00 C ATOM 59 C ASN A 25 11.966 2.582 -7.701 1.00 0.00 C ATOM 60 O ASN A 25 12.342 3.558 -8.350 1.00 0.00 O ATOM 61 CB ASN A 25 13.225 0.892 -9.050 1.00 0.00 C ATOM 62 CG ASN A 25 13.362 1.642 -10.368 1.00 0.00 C ATOM 63 OD1 ASN A 25 12.465 1.614 -11.202 1.00 0.00 O ATOM 64 ND2 ASN A 25 14.491 2.321 -10.538 1.00 0.00 N ATOM 0 H ASN A 25 10.919 1.626 -10.146 1.00 0.00 H new ATOM 0 HA ASN A 25 11.749 0.457 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 25 14.055 1.158 -8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.296 -0.180 -9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.642 2.852 -11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.207 2.311 -9.811 1.00 0.00 H new ATOM 71 N ILE A 26 11.592 2.660 -6.436 1.00 0.00 N ATOM 72 CA ILE A 26 11.601 3.926 -5.705 1.00 0.00 C ATOM 73 C ILE A 26 12.530 3.865 -4.504 1.00 0.00 C ATOM 74 O ILE A 26 12.511 2.898 -3.733 1.00 0.00 O ATOM 75 CB ILE A 26 10.188 4.312 -5.231 1.00 0.00 C ATOM 76 CG1 ILE A 26 9.190 4.198 -6.385 1.00 0.00 C ATOM 77 CG2 ILE A 26 10.185 5.721 -4.659 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.746 4.142 -5.940 1.00 0.00 C ATOM 0 H ILE A 26 11.276 1.861 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 26 11.963 4.685 -6.398 1.00 0.00 H new ATOM 0 HB ILE A 26 9.886 3.622 -4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.322 5.050 -7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.417 3.302 -6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.178 5.978 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.869 5.771 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.506 6.426 -5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.099 4.062 -6.813 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.597 3.275 -5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.500 5.049 -5.388 1.00 0.00 H new ATOM 90 N THR A 27 13.342 4.903 -4.336 1.00 0.00 N ATOM 91 CA THR A 27 14.277 4.970 -3.220 1.00 0.00 C ATOM 92 C THR A 27 13.606 5.553 -1.973 1.00 0.00 C ATOM 93 O THR A 27 12.815 6.493 -2.067 1.00 0.00 O ATOM 94 CB THR A 27 15.497 5.814 -3.591 1.00 0.00 C ATOM 95 OG1 THR A 27 15.157 6.772 -4.577 1.00 0.00 O ATOM 96 CG2 THR A 27 16.649 4.991 -4.136 1.00 0.00 C ATOM 0 H THR A 27 13.371 5.710 -4.959 1.00 0.00 H new ATOM 0 HA THR A 27 14.600 3.953 -2.997 1.00 0.00 H new ATOM 0 HB THR A 27 15.815 6.291 -2.664 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.948 7.305 -4.802 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.483 5.649 -4.380 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.966 4.267 -3.386 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.327 4.465 -5.035 1.00 0.00 H new ATOM 104 N ALA A 28 13.923 4.987 -0.814 1.00 0.00 N ATOM 105 CA ALA A 28 13.350 5.449 0.429 1.00 0.00 C ATOM 106 C ALA A 28 14.411 5.524 1.532 1.00 0.00 C ATOM 107 O ALA A 28 15.471 4.907 1.419 1.00 0.00 O ATOM 108 CB ALA A 28 12.212 4.535 0.857 1.00 0.00 C ATOM 0 H ALA A 28 14.574 4.208 -0.717 1.00 0.00 H new ATOM 0 HA ALA A 28 12.957 6.453 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.789 4.895 1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.439 4.532 0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.591 3.522 0.995 1.00 0.00 H new ATOM 114 N ARG A 29 14.117 6.286 2.573 1.00 0.00 N ATOM 115 CA ARG A 29 15.045 6.443 3.687 1.00 0.00 C ATOM 116 C ARG A 29 14.437 5.914 4.983 1.00 0.00 C ATOM 117 O ARG A 29 13.308 6.256 5.334 1.00 0.00 O ATOM 118 CB ARG A 29 15.428 7.914 3.860 1.00 0.00 C ATOM 119 CG ARG A 29 16.448 8.158 4.954 1.00 0.00 C ATOM 120 CD ARG A 29 16.140 9.429 5.730 1.00 0.00 C ATOM 121 NE ARG A 29 15.842 9.154 7.134 1.00 0.00 N ATOM 122 CZ ARG A 29 15.839 10.084 8.087 1.00 0.00 C ATOM 123 NH1 ARG A 29 16.116 11.348 7.800 1.00 0.00 N ATOM 124 NH2 ARG A 29 15.559 9.747 9.339 1.00 0.00 N ATOM 0 H ARG A 29 13.245 6.806 2.672 1.00 0.00 H new ATOM 0 HA ARG A 29 15.940 5.864 3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.825 8.289 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.529 8.490 4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.461 7.308 5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.443 8.230 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.990 10.108 5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.291 9.937 5.272 1.00 0.00 H new ATOM 0 HE ARG A 29 15.624 8.194 7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.335 11.617 6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.111 12.052 8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.346 8.777 9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.556 10.458 10.070 1.00 0.00 H new ATOM 138 N ILE A 30 15.193 5.079 5.689 1.00 0.00 N ATOM 139 CA ILE A 30 14.728 4.500 6.946 1.00 0.00 C ATOM 140 C ILE A 30 14.331 5.586 7.943 1.00 0.00 C ATOM 141 O ILE A 30 15.086 6.528 8.185 1.00 0.00 O ATOM 142 CB ILE A 30 15.799 3.597 7.594 1.00 0.00 C ATOM 143 CG1 ILE A 30 17.196 4.199 7.422 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.744 2.200 7.004 1.00 0.00 C ATOM 145 CD1 ILE A 30 18.049 4.114 8.669 1.00 0.00 C ATOM 0 H ILE A 30 16.131 4.788 5.412 1.00 0.00 H new ATOM 0 HA ILE A 30 13.856 3.894 6.700 1.00 0.00 H new ATOM 0 HB ILE A 30 15.588 3.530 8.661 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.706 3.685 6.607 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.099 5.244 7.129 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.506 1.577 7.472 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.760 1.767 7.185 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.927 2.251 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.024 4.559 8.474 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.560 4.652 9.481 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.177 3.069 8.951 1.00 0.00 H new ATOM 157 N GLY A 31 13.141 5.444 8.518 1.00 0.00 N ATOM 158 CA GLY A 31 12.660 6.416 9.485 1.00 0.00 C ATOM 159 C GLY A 31 12.130 7.684 8.839 1.00 0.00 C ATOM 160 O GLY A 31 11.715 8.610 9.535 1.00 0.00 O ATOM 0 H GLY A 31 12.500 4.673 8.332 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.871 5.963 10.085 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.471 6.674 10.167 1.00 0.00 H new ATOM 164 N GLU A 32 12.142 7.731 7.509 1.00 0.00 N ATOM 165 CA GLU A 32 11.656 8.900 6.792 1.00 0.00 C ATOM 166 C GLU A 32 10.212 8.696 6.325 1.00 0.00 C ATOM 167 O GLU A 32 9.871 7.639 5.794 1.00 0.00 O ATOM 168 CB GLU A 32 12.553 9.183 5.577 1.00 0.00 C ATOM 169 CG GLU A 32 12.373 10.578 4.998 1.00 0.00 C ATOM 170 CD GLU A 32 13.041 11.648 5.839 1.00 0.00 C ATOM 171 OE1 GLU A 32 12.968 11.557 7.083 1.00 0.00 O ATOM 172 OE2 GLU A 32 13.637 12.576 5.254 1.00 0.00 O ATOM 0 H GLU A 32 12.481 6.977 6.912 1.00 0.00 H new ATOM 0 HA GLU A 32 11.684 9.750 7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.595 9.051 5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.342 8.447 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.784 10.605 3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.309 10.798 4.914 1.00 0.00 H new ATOM 179 N PRO A 33 9.339 9.704 6.519 1.00 0.00 N ATOM 180 CA PRO A 33 7.932 9.616 6.115 1.00 0.00 C ATOM 181 C PRO A 33 7.772 9.549 4.608 1.00 0.00 C ATOM 182 O PRO A 33 8.483 10.230 3.861 1.00 0.00 O ATOM 183 CB PRO A 33 7.306 10.911 6.657 1.00 0.00 C ATOM 184 CG PRO A 33 8.301 11.461 7.623 1.00 0.00 C ATOM 185 CD PRO A 33 9.645 11.000 7.143 1.00 0.00 C ATOM 0 HA PRO A 33 7.461 8.711 6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.109 11.618 5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.353 10.711 7.147 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.251 12.549 7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.104 11.102 8.633 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.082 11.699 6.430 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.354 10.897 7.964 1.00 0.00 H new ATOM 193 N LEU A 34 6.835 8.725 4.141 1.00 0.00 N ATOM 194 CA LEU A 34 6.585 8.573 2.720 1.00 0.00 C ATOM 195 C LEU A 34 5.091 8.480 2.426 1.00 0.00 C ATOM 196 O LEU A 34 4.368 7.730 3.082 1.00 0.00 O ATOM 197 CB LEU A 34 7.295 7.326 2.178 1.00 0.00 C ATOM 198 CG LEU A 34 8.699 7.568 1.632 1.00 0.00 C ATOM 199 CD1 LEU A 34 8.677 8.667 0.580 1.00 0.00 C ATOM 200 CD2 LEU A 34 9.662 7.920 2.749 1.00 0.00 C ATOM 0 H LEU A 34 6.236 8.152 4.735 1.00 0.00 H new ATOM 0 HA LEU A 34 6.981 9.458 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.354 6.585 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.683 6.894 1.386 1.00 0.00 H new ATOM 0 HG LEU A 34 9.046 6.646 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.686 8.828 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.023 8.372 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.306 9.590 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.656 8.088 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.321 8.825 3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.702 7.100 3.466 1.00 0.00 H new ATOM 212 N VAL A 35 4.634 9.245 1.448 1.00 0.00 N ATOM 213 CA VAL A 35 3.225 9.245 1.065 1.00 0.00 C ATOM 214 C VAL A 35 3.058 8.970 -0.410 1.00 0.00 C ATOM 215 O VAL A 35 3.840 9.450 -1.231 1.00 0.00 O ATOM 216 CB VAL A 35 2.546 10.584 1.420 1.00 0.00 C ATOM 217 CG1 VAL A 35 1.047 10.506 1.163 1.00 0.00 C ATOM 218 CG2 VAL A 35 2.832 10.971 2.864 1.00 0.00 C ATOM 0 H VAL A 35 5.218 9.877 0.901 1.00 0.00 H new ATOM 0 HA VAL A 35 2.743 8.447 1.629 1.00 0.00 H new ATOM 0 HB VAL A 35 2.962 11.360 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.584 11.459 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.869 10.287 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.613 9.716 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.343 11.918 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.451 10.197 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.908 11.075 3.007 1.00 0.00 H new ATOM 228 N LEU A 36 2.034 8.195 -0.753 1.00 0.00 N ATOM 229 CA LEU A 36 1.766 7.855 -2.146 1.00 0.00 C ATOM 230 C LEU A 36 0.272 7.662 -2.383 1.00 0.00 C ATOM 231 O LEU A 36 -0.430 7.094 -1.556 1.00 0.00 O ATOM 232 CB LEU A 36 2.527 6.585 -2.537 1.00 0.00 C ATOM 233 CG LEU A 36 3.800 6.818 -3.350 1.00 0.00 C ATOM 234 CD1 LEU A 36 4.491 5.498 -3.649 1.00 0.00 C ATOM 235 CD2 LEU A 36 3.478 7.558 -4.648 1.00 0.00 C ATOM 0 H LEU A 36 1.377 7.791 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 36 2.108 8.682 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.789 6.042 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.860 5.942 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 36 4.477 7.435 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.395 5.684 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.755 5.005 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.819 4.857 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.396 7.715 -5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.782 6.965 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.026 8.522 -4.415 1.00 0.00 H new ATOM 247 N LYS A 37 -0.207 8.139 -3.527 1.00 0.00 N ATOM 248 CA LYS A 37 -1.618 8.018 -3.874 1.00 0.00 C ATOM 249 C LYS A 37 -1.895 6.697 -4.586 1.00 0.00 C ATOM 250 O LYS A 37 -1.133 6.279 -5.458 1.00 0.00 O ATOM 251 CB LYS A 37 -2.049 9.191 -4.758 1.00 0.00 C ATOM 252 CG LYS A 37 -2.818 10.267 -4.016 1.00 0.00 C ATOM 253 CD LYS A 37 -1.879 11.251 -3.329 1.00 0.00 C ATOM 254 CE LYS A 37 -1.481 12.379 -4.276 1.00 0.00 C ATOM 255 NZ LYS A 37 -2.664 13.136 -4.761 1.00 0.00 N ATOM 0 H LYS A 37 0.361 8.613 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.196 8.037 -2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.163 9.637 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.667 8.812 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.461 10.803 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.469 9.805 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.365 11.667 -2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.987 10.728 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.799 13.059 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.940 11.965 -5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.374 14.098 -5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.070 12.653 -5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.377 13.188 -4.005 1.00 0.00 H new ATOM 269 N CYS A 38 -2.991 6.047 -4.209 1.00 0.00 N ATOM 270 CA CYS A 38 -3.372 4.774 -4.811 1.00 0.00 C ATOM 271 C CYS A 38 -4.740 4.882 -5.478 1.00 0.00 C ATOM 272 O CYS A 38 -5.756 4.490 -4.905 1.00 0.00 O ATOM 273 CB CYS A 38 -3.387 3.670 -3.751 1.00 0.00 C ATOM 274 SG CYS A 38 -2.171 2.344 -4.042 1.00 0.00 S ATOM 0 H CYS A 38 -3.632 6.381 -3.489 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.636 4.520 -5.574 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.196 4.116 -2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.384 3.232 -3.712 1.00 0.00 H new ATOM 279 N LYS A 39 -4.758 5.419 -6.694 1.00 0.00 N ATOM 280 CA LYS A 39 -6.000 5.583 -7.448 1.00 0.00 C ATOM 281 C LYS A 39 -6.494 4.245 -7.982 1.00 0.00 C ATOM 282 O LYS A 39 -5.928 3.194 -7.682 1.00 0.00 O ATOM 283 CB LYS A 39 -5.801 6.571 -8.590 1.00 0.00 C ATOM 284 CG LYS A 39 -4.818 6.089 -9.645 1.00 0.00 C ATOM 285 CD LYS A 39 -5.282 6.448 -11.047 1.00 0.00 C ATOM 286 CE LYS A 39 -5.987 5.280 -11.717 1.00 0.00 C ATOM 287 NZ LYS A 39 -5.950 5.386 -13.202 1.00 0.00 N ATOM 0 H LYS A 39 -3.925 5.749 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.758 5.978 -6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.763 6.765 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.449 7.519 -8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.839 6.532 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.699 5.008 -9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.956 7.303 -11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.425 6.751 -11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.517 4.347 -11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.023 5.241 -11.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.441 4.571 -13.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.421 6.264 -13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.961 5.397 -13.525 1.00 0.00 H new ATOM 301 N GLY A 40 -7.554 4.295 -8.781 1.00 0.00 N ATOM 302 CA GLY A 40 -8.112 3.085 -9.355 1.00 0.00 C ATOM 303 C GLY A 40 -9.525 3.291 -9.867 1.00 0.00 C ATOM 304 O GLY A 40 -9.770 3.235 -11.080 1.00 0.00 O ATOM 0 H GLY A 40 -8.038 5.154 -9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.477 2.747 -10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.111 2.295 -8.604 1.00 0.00 H new ATOM 308 N ALA A 41 -10.453 3.533 -8.956 1.00 0.00 N ATOM 309 CA ALA A 41 -11.847 3.753 -9.310 1.00 0.00 C ATOM 310 C ALA A 41 -12.004 5.029 -10.131 1.00 0.00 C ATOM 311 O ALA A 41 -11.052 5.791 -10.294 1.00 0.00 O ATOM 312 CB ALA A 41 -12.712 3.817 -8.059 1.00 0.00 C ATOM 0 H ALA A 41 -10.264 3.583 -7.955 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.179 2.912 -9.919 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.751 3.982 -8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.630 2.878 -7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.375 4.637 -7.425 1.00 0.00 H new ATOM 318 N PRO A 42 -13.213 5.279 -10.663 1.00 0.00 N ATOM 319 CA PRO A 42 -13.490 6.472 -11.471 1.00 0.00 C ATOM 320 C PRO A 42 -13.118 7.763 -10.749 1.00 0.00 C ATOM 321 O PRO A 42 -12.420 7.740 -9.735 1.00 0.00 O ATOM 322 CB PRO A 42 -15.003 6.407 -11.701 1.00 0.00 C ATOM 323 CG PRO A 42 -15.350 4.968 -11.550 1.00 0.00 C ATOM 324 CD PRO A 42 -14.404 4.421 -10.519 1.00 0.00 C ATOM 0 HA PRO A 42 -12.906 6.482 -12.391 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.540 7.021 -10.978 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.269 6.776 -12.692 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -16.386 4.847 -11.232 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -15.243 4.439 -12.497 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.824 4.481 -9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -14.169 3.373 -10.704 1.00 0.00 H new ATOM 332 N LYS A 43 -13.587 8.889 -11.277 1.00 0.00 N ATOM 333 CA LYS A 43 -13.303 10.191 -10.683 1.00 0.00 C ATOM 334 C LYS A 43 -13.725 10.236 -9.217 1.00 0.00 C ATOM 335 O LYS A 43 -13.212 11.038 -8.437 1.00 0.00 O ATOM 336 CB LYS A 43 -14.011 11.299 -11.472 1.00 0.00 C ATOM 337 CG LYS A 43 -13.204 12.583 -11.566 1.00 0.00 C ATOM 338 CD LYS A 43 -14.048 13.730 -12.098 1.00 0.00 C ATOM 339 CE LYS A 43 -14.673 14.533 -10.967 1.00 0.00 C ATOM 340 NZ LYS A 43 -13.882 15.754 -10.651 1.00 0.00 N ATOM 0 H LYS A 43 -14.166 8.926 -12.116 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.226 10.353 -10.728 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.225 10.938 -12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.970 11.515 -11.000 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.814 12.842 -10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.345 12.428 -12.219 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.429 14.385 -12.712 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.833 13.337 -12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.688 14.819 -11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.748 13.909 -10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.341 16.274 -9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.921 15.480 -10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.831 16.362 -11.493 1.00 0.00 H new ATOM 354 N LYS A 44 -14.661 9.369 -8.850 1.00 0.00 N ATOM 355 CA LYS A 44 -15.152 9.308 -7.478 1.00 0.00 C ATOM 356 C LYS A 44 -14.535 8.125 -6.734 1.00 0.00 C ATOM 357 O LYS A 44 -14.409 7.034 -7.289 1.00 0.00 O ATOM 358 CB LYS A 44 -16.677 9.197 -7.465 1.00 0.00 C ATOM 359 CG LYS A 44 -17.374 10.313 -8.226 1.00 0.00 C ATOM 360 CD LYS A 44 -18.888 10.192 -8.140 1.00 0.00 C ATOM 361 CE LYS A 44 -19.502 9.802 -9.467 1.00 0.00 C ATOM 362 NZ LYS A 44 -20.659 8.880 -9.298 1.00 0.00 N ATOM 0 H LYS A 44 -15.096 8.698 -9.483 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.859 10.227 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.967 8.239 -7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.025 9.201 -6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -17.063 11.277 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.066 10.289 -9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -19.150 9.449 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -19.309 11.142 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -19.828 10.699 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.746 9.324 -10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -21.049 8.638 -10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -20.344 8.012 -8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.393 9.345 -8.726 1.00 0.00 H new ATOM 376 N PRO A 45 -14.142 8.322 -5.462 1.00 0.00 N ATOM 377 CA PRO A 45 -13.538 7.259 -4.660 1.00 0.00 C ATOM 378 C PRO A 45 -14.403 6.001 -4.609 1.00 0.00 C ATOM 379 O PRO A 45 -15.632 6.085 -4.598 1.00 0.00 O ATOM 380 CB PRO A 45 -13.437 7.884 -3.257 1.00 0.00 C ATOM 381 CG PRO A 45 -13.403 9.353 -3.508 1.00 0.00 C ATOM 382 CD PRO A 45 -14.254 9.591 -4.724 1.00 0.00 C ATOM 0 HA PRO A 45 -12.583 6.936 -5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.289 7.606 -2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.540 7.549 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.788 9.903 -2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.382 9.696 -3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -15.287 9.812 -4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -13.890 10.433 -5.312 1.00 0.00 H new ATOM 390 N PRO A 46 -13.773 4.812 -4.583 1.00 0.00 N ATOM 391 CA PRO A 46 -14.496 3.539 -4.539 1.00 0.00 C ATOM 392 C PRO A 46 -15.065 3.242 -3.164 1.00 0.00 C ATOM 393 O PRO A 46 -14.482 3.622 -2.148 1.00 0.00 O ATOM 394 CB PRO A 46 -13.422 2.517 -4.906 1.00 0.00 C ATOM 395 CG PRO A 46 -12.149 3.128 -4.429 1.00 0.00 C ATOM 396 CD PRO A 46 -12.310 4.617 -4.600 1.00 0.00 C ATOM 0 HA PRO A 46 -15.358 3.535 -5.206 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -13.606 1.557 -4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.397 2.335 -5.980 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.962 2.874 -3.386 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.300 2.759 -5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.823 5.168 -3.796 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.870 4.963 -5.535 1.00 0.00 H new ATOM 404 N GLN A 47 -16.204 2.560 -3.132 1.00 0.00 N ATOM 405 CA GLN A 47 -16.851 2.211 -1.872 1.00 0.00 C ATOM 406 C GLN A 47 -16.143 1.038 -1.191 1.00 0.00 C ATOM 407 O GLN A 47 -16.254 0.845 0.012 1.00 0.00 O ATOM 408 CB GLN A 47 -18.323 1.868 -2.097 1.00 0.00 C ATOM 409 CG GLN A 47 -19.155 3.049 -2.576 1.00 0.00 C ATOM 410 CD GLN A 47 -20.608 2.942 -2.149 1.00 0.00 C ATOM 411 OE1 GLN A 47 -20.925 2.366 -1.109 1.00 0.00 O ATOM 412 NE2 GLN A 47 -21.500 3.501 -2.958 1.00 0.00 N ATOM 0 H GLN A 47 -16.699 2.238 -3.964 1.00 0.00 H new ATOM 0 HA GLN A 47 -16.785 3.080 -1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.393 1.064 -2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.746 1.489 -1.167 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.730 3.973 -2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -19.102 3.111 -3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -21.193 3.969 -3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -22.493 3.463 -2.727 1.00 0.00 H new ATOM 421 N ARG A 48 -15.416 0.258 -1.983 1.00 0.00 N ATOM 422 CA ARG A 48 -14.690 -0.894 -1.466 1.00 0.00 C ATOM 423 C ARG A 48 -13.239 -0.877 -1.944 1.00 0.00 C ATOM 424 O ARG A 48 -12.951 -0.507 -3.075 1.00 0.00 O ATOM 425 CB ARG A 48 -15.370 -2.193 -1.907 1.00 0.00 C ATOM 426 CG ARG A 48 -15.716 -3.121 -0.754 1.00 0.00 C ATOM 427 CD ARG A 48 -15.451 -4.575 -1.116 1.00 0.00 C ATOM 428 NE ARG A 48 -14.034 -4.914 -1.007 1.00 0.00 N ATOM 429 CZ ARG A 48 -13.404 -5.133 0.130 1.00 0.00 C ATOM 430 NH1 ARG A 48 -14.062 -5.049 1.279 1.00 0.00 N ATOM 431 NH2 ARG A 48 -12.113 -5.436 0.140 1.00 0.00 N ATOM 0 H ARG A 48 -15.314 0.404 -2.987 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.698 -0.841 -0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.282 -1.949 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.715 -2.719 -2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.129 -2.849 0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.765 -2.996 -0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.031 -5.224 -0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.792 -4.764 -2.134 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.495 -4.986 -1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.055 -4.815 1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.575 -5.218 2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.598 -5.502 -0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.635 -5.604 1.026 1.00 0.00 H new ATOM 445 N LEU A 49 -12.330 -1.277 -1.054 1.00 0.00 N ATOM 446 CA LEU A 49 -10.909 -1.305 -1.382 1.00 0.00 C ATOM 447 C LEU A 49 -10.157 -2.259 -0.468 1.00 0.00 C ATOM 448 O LEU A 49 -10.504 -2.410 0.695 1.00 0.00 O ATOM 449 CB LEU A 49 -10.314 0.100 -1.278 1.00 0.00 C ATOM 450 CG LEU A 49 -8.808 0.187 -1.548 1.00 0.00 C ATOM 451 CD1 LEU A 49 -8.470 1.457 -2.312 1.00 0.00 C ATOM 452 CD2 LEU A 49 -8.037 0.129 -0.229 1.00 0.00 C ATOM 0 H LEU A 49 -12.553 -1.584 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.805 -1.661 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.832 0.751 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.512 0.489 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.514 -0.663 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.396 1.498 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.999 1.460 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.773 2.325 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.967 0.191 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.337 0.964 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.257 -0.810 0.280 1.00 0.00 H new ATOM 464 N GLU A 50 -9.123 -2.898 -0.997 1.00 0.00 N ATOM 465 CA GLU A 50 -8.318 -3.836 -0.232 1.00 0.00 C ATOM 466 C GLU A 50 -6.834 -3.640 -0.514 1.00 0.00 C ATOM 467 O GLU A 50 -6.438 -3.432 -1.661 1.00 0.00 O ATOM 468 CB GLU A 50 -8.726 -5.275 -0.543 1.00 0.00 C ATOM 469 CG GLU A 50 -8.781 -5.577 -2.040 1.00 0.00 C ATOM 470 CD GLU A 50 -9.462 -6.897 -2.334 1.00 0.00 C ATOM 471 OE1 GLU A 50 -8.887 -7.953 -2.004 1.00 0.00 O ATOM 472 OE2 GLU A 50 -10.571 -6.876 -2.909 1.00 0.00 O ATOM 0 H GLU A 50 -8.821 -2.781 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.495 -3.642 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.020 -5.956 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.704 -5.471 -0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.313 -4.774 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.768 -5.595 -2.442 1.00 0.00 H new ATOM 479 N TRP A 51 -6.016 -3.704 0.524 1.00 0.00 N ATOM 480 CA TRP A 51 -4.577 -3.531 0.376 1.00 0.00 C ATOM 481 C TRP A 51 -3.863 -4.878 0.346 1.00 0.00 C ATOM 482 O TRP A 51 -3.996 -5.679 1.280 1.00 0.00 O ATOM 483 CB TRP A 51 -4.024 -2.665 1.502 1.00 0.00 C ATOM 484 CG TRP A 51 -2.999 -1.674 1.042 1.00 0.00 C ATOM 485 CD1 TRP A 51 -3.159 -0.718 0.088 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.656 -1.542 1.522 1.00 0.00 C ATOM 487 NE1 TRP A 51 -1.997 0.001 -0.051 1.00 0.00 N ATOM 488 CE2 TRP A 51 -1.060 -0.485 0.816 1.00 0.00 C ATOM 489 CE3 TRP A 51 -0.900 -2.212 2.496 1.00 0.00 C ATOM 490 CZ2 TRP A 51 0.255 -0.086 1.036 1.00 0.00 C ATOM 491 CZ3 TRP A 51 0.407 -1.815 2.705 1.00 0.00 C ATOM 492 CH2 TRP A 51 0.972 -0.760 1.978 1.00 0.00 C ATOM 0 H TRP A 51 -6.323 -3.875 1.481 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.396 -3.028 -0.574 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.847 -2.131 1.977 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.581 -3.309 2.261 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.064 -0.549 -0.476 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.856 0.776 -0.699 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.330 -3.020 3.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.692 0.730 0.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.005 -2.329 3.444 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.996 -0.475 2.168 1.00 0.00 H new ATOM 503 N LYS A 52 -3.102 -5.119 -0.708 1.00 0.00 N ATOM 504 CA LYS A 52 -2.361 -6.367 -0.852 1.00 0.00 C ATOM 505 C LYS A 52 -0.938 -6.093 -1.317 1.00 0.00 C ATOM 506 O LYS A 52 -0.721 -5.302 -2.234 1.00 0.00 O ATOM 507 CB LYS A 52 -3.073 -7.298 -1.829 1.00 0.00 C ATOM 508 CG LYS A 52 -3.854 -8.414 -1.155 1.00 0.00 C ATOM 509 CD LYS A 52 -4.245 -9.498 -2.147 1.00 0.00 C ATOM 510 CE LYS A 52 -5.260 -10.460 -1.549 1.00 0.00 C ATOM 511 NZ LYS A 52 -5.888 -11.322 -2.596 1.00 0.00 N ATOM 0 H LYS A 52 -2.979 -4.466 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.315 -6.856 0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.754 -6.711 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.335 -7.738 -2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.253 -8.849 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.751 -8.003 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.661 -9.039 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.356 -10.049 -2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.771 -11.089 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.034 -9.895 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.574 -11.965 -2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.376 -10.723 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.152 -11.879 -3.074 1.00 0.00 H new ATOM 525 N LEU A 53 0.030 -6.747 -0.686 1.00 0.00 N ATOM 526 CA LEU A 53 1.429 -6.562 -1.047 1.00 0.00 C ATOM 527 C LEU A 53 2.233 -7.837 -0.811 1.00 0.00 C ATOM 528 O LEU A 53 1.822 -8.711 -0.056 1.00 0.00 O ATOM 529 CB LEU A 53 2.031 -5.406 -0.250 1.00 0.00 C ATOM 530 CG LEU A 53 2.212 -5.671 1.230 1.00 0.00 C ATOM 531 CD1 LEU A 53 3.561 -6.323 1.498 1.00 0.00 C ATOM 532 CD2 LEU A 53 2.078 -4.376 2.018 1.00 0.00 C ATOM 0 H LEU A 53 -0.128 -7.407 0.075 1.00 0.00 H new ATOM 0 HA LEU A 53 1.474 -6.325 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.001 -5.155 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.393 -4.531 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 53 1.431 -6.358 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.671 -6.505 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.621 -7.270 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.358 -5.662 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.210 -4.581 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.839 -3.669 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.089 -3.949 1.851 1.00 0.00 H new ATOM 544 N ASN A 54 3.383 -7.934 -1.480 1.00 0.00 N ATOM 545 CA ASN A 54 4.249 -9.099 -1.344 1.00 0.00 C ATOM 546 C ASN A 54 5.608 -8.703 -0.776 1.00 0.00 C ATOM 547 O ASN A 54 6.163 -7.661 -1.123 1.00 0.00 O ATOM 548 CB ASN A 54 4.428 -9.787 -2.693 1.00 0.00 C ATOM 549 CG ASN A 54 4.143 -11.274 -2.636 1.00 0.00 C ATOM 550 OD1 ASN A 54 4.729 -11.997 -1.821 1.00 0.00 O ATOM 551 ND2 ASN A 54 3.238 -11.742 -3.481 1.00 0.00 N ATOM 0 H ASN A 54 3.733 -7.220 -2.119 1.00 0.00 H new ATOM 0 HA ASN A 54 3.775 -9.794 -0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.766 -9.322 -3.423 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.448 -9.630 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.000 -12.734 -3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.778 -11.111 -4.137 1.00 0.00 H new ATOM 558 N THR A 55 6.140 -9.539 0.101 1.00 0.00 N ATOM 559 CA THR A 55 7.435 -9.277 0.728 1.00 0.00 C ATOM 560 C THR A 55 8.140 -10.583 1.074 1.00 0.00 C ATOM 561 O THR A 55 7.583 -11.668 0.903 1.00 0.00 O ATOM 562 CB THR A 55 7.262 -8.418 1.975 1.00 0.00 C ATOM 563 OG1 THR A 55 5.896 -8.331 2.343 1.00 0.00 O ATOM 564 CG2 THR A 55 7.783 -7.006 1.816 1.00 0.00 C ATOM 0 H THR A 55 5.697 -10.408 0.398 1.00 0.00 H new ATOM 0 HA THR A 55 8.054 -8.731 0.016 1.00 0.00 H new ATOM 0 HB THR A 55 7.849 -8.918 2.745 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.808 -7.777 3.146 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.626 -6.454 2.743 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.848 -7.035 1.587 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.250 -6.511 1.004 1.00 0.00 H new ATOM 572 N GLY A 56 9.369 -10.470 1.576 1.00 0.00 N ATOM 573 CA GLY A 56 10.130 -11.648 1.937 1.00 0.00 C ATOM 574 C GLY A 56 9.539 -12.370 3.140 1.00 0.00 C ATOM 575 O GLY A 56 9.198 -13.550 3.046 1.00 0.00 O ATOM 0 H GLY A 56 9.847 -9.584 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.165 -12.330 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.158 -11.361 2.157 1.00 0.00 H new ATOM 579 N ARG A 57 9.419 -11.660 4.249 1.00 0.00 N ATOM 580 CA ARG A 57 8.866 -12.240 5.469 1.00 0.00 C ATOM 581 C ARG A 57 7.338 -12.222 5.456 1.00 0.00 C ATOM 582 O ARG A 57 6.693 -12.940 6.211 1.00 0.00 O ATOM 583 CB ARG A 57 9.378 -11.483 6.695 1.00 0.00 C ATOM 584 CG ARG A 57 9.095 -12.191 8.010 1.00 0.00 C ATOM 585 CD ARG A 57 9.952 -13.436 8.167 1.00 0.00 C ATOM 586 NE ARG A 57 11.269 -13.129 8.721 1.00 0.00 N ATOM 587 CZ ARG A 57 11.498 -12.913 10.014 1.00 0.00 C ATOM 588 NH1 ARG A 57 10.501 -12.967 10.889 1.00 0.00 N ATOM 589 NH2 ARG A 57 12.726 -12.641 10.433 1.00 0.00 N ATOM 0 H ARG A 57 9.696 -10.682 4.333 1.00 0.00 H new ATOM 0 HA ARG A 57 9.195 -13.278 5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.453 -11.334 6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.920 -10.494 6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.285 -11.510 8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.041 -12.465 8.058 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.442 -14.147 8.817 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.071 -13.919 7.197 1.00 0.00 H new ATOM 0 HE ARG A 57 12.060 -13.077 8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.554 -13.175 10.571 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.682 -12.801 11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.495 -12.597 9.764 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.902 -12.475 11.424 1.00 0.00 H new ATOM 603 N THR A 58 6.766 -11.397 4.575 1.00 0.00 N ATOM 604 CA THR A 58 5.314 -11.287 4.459 1.00 0.00 C ATOM 605 C THR A 58 4.686 -10.901 5.797 1.00 0.00 C ATOM 606 O THR A 58 4.361 -11.760 6.615 1.00 0.00 O ATOM 607 CB THR A 58 4.715 -12.604 3.964 1.00 0.00 C ATOM 608 OG1 THR A 58 4.658 -13.564 5.004 1.00 0.00 O ATOM 609 CG2 THR A 58 5.491 -13.215 2.809 1.00 0.00 C ATOM 0 H THR A 58 7.287 -10.798 3.934 1.00 0.00 H new ATOM 0 HA THR A 58 5.095 -10.503 3.735 1.00 0.00 H new ATOM 0 HB THR A 58 3.713 -12.350 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.066 -13.193 5.814 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.016 -14.147 2.504 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.500 -12.520 1.969 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.515 -13.416 3.125 1.00 0.00 H new ATOM 617 N GLU A 59 4.519 -9.600 6.009 1.00 0.00 N ATOM 618 CA GLU A 59 3.930 -9.094 7.245 1.00 0.00 C ATOM 619 C GLU A 59 3.699 -7.589 7.158 1.00 0.00 C ATOM 620 O GLU A 59 3.849 -6.869 8.146 1.00 0.00 O ATOM 621 CB GLU A 59 4.835 -9.416 8.435 1.00 0.00 C ATOM 622 CG GLU A 59 6.274 -8.966 8.252 1.00 0.00 C ATOM 623 CD GLU A 59 6.573 -7.659 8.950 1.00 0.00 C ATOM 624 OE1 GLU A 59 6.794 -7.685 10.179 1.00 0.00 O ATOM 625 OE2 GLU A 59 6.587 -6.609 8.274 1.00 0.00 O ATOM 0 H GLU A 59 4.783 -8.876 5.341 1.00 0.00 H new ATOM 0 HA GLU A 59 2.967 -9.584 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.427 -8.942 9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.820 -10.492 8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.942 -9.738 8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.484 -8.860 7.188 1.00 0.00 H new ATOM 632 N ALA A 60 3.341 -7.119 5.969 1.00 0.00 N ATOM 633 CA ALA A 60 3.094 -5.698 5.746 1.00 0.00 C ATOM 634 C ALA A 60 1.674 -5.450 5.265 1.00 0.00 C ATOM 635 O ALA A 60 1.053 -4.444 5.606 1.00 0.00 O ATOM 636 CB ALA A 60 4.086 -5.146 4.744 1.00 0.00 C ATOM 0 H ALA A 60 3.215 -7.702 5.142 1.00 0.00 H new ATOM 0 HA ALA A 60 3.221 -5.183 6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.891 -4.085 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.099 -5.276 5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.983 -5.679 3.799 1.00 0.00 H new ATOM 642 N TRP A 61 1.175 -6.372 4.468 1.00 0.00 N ATOM 643 CA TRP A 61 -0.166 -6.268 3.906 1.00 0.00 C ATOM 644 C TRP A 61 -1.215 -6.157 5.010 1.00 0.00 C ATOM 645 O TRP A 61 -1.242 -6.964 5.948 1.00 0.00 O ATOM 646 CB TRP A 61 -0.451 -7.475 3.005 1.00 0.00 C ATOM 647 CG TRP A 61 -1.029 -8.655 3.736 1.00 0.00 C ATOM 648 CD1 TRP A 61 -2.345 -8.874 4.017 1.00 0.00 C ATOM 649 CD2 TRP A 61 -0.310 -9.775 4.257 1.00 0.00 C ATOM 650 NE1 TRP A 61 -2.489 -10.062 4.693 1.00 0.00 N ATOM 651 CE2 TRP A 61 -1.253 -10.634 4.860 1.00 0.00 C ATOM 652 CE3 TRP A 61 1.040 -10.136 4.292 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -0.890 -11.830 5.467 1.00 0.00 C ATOM 654 CZ3 TRP A 61 1.400 -11.324 4.895 1.00 0.00 C ATOM 655 CH2 TRP A 61 0.438 -12.158 5.479 1.00 0.00 C ATOM 0 H TRP A 61 1.681 -7.213 4.189 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.220 -5.360 3.305 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.142 -7.174 2.217 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.475 -7.779 2.518 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -3.155 -8.212 3.748 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.372 -10.455 5.018 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.790 -9.495 3.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -1.630 -12.478 5.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 2.440 -11.615 4.917 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.751 -13.079 5.948 1.00 0.00 H new ATOM 666 N LYS A 62 -2.077 -5.151 4.899 1.00 0.00 N ATOM 667 CA LYS A 62 -3.128 -4.931 5.892 1.00 0.00 C ATOM 668 C LYS A 62 -4.501 -4.913 5.228 1.00 0.00 C ATOM 669 O LYS A 62 -4.689 -4.287 4.184 1.00 0.00 O ATOM 670 CB LYS A 62 -2.890 -3.615 6.630 1.00 0.00 C ATOM 671 CG LYS A 62 -3.959 -3.296 7.663 1.00 0.00 C ATOM 672 CD LYS A 62 -4.820 -2.120 7.240 1.00 0.00 C ATOM 673 CE LYS A 62 -5.938 -1.854 8.226 1.00 0.00 C ATOM 674 NZ LYS A 62 -5.537 -0.860 9.268 1.00 0.00 N ATOM 0 H LYS A 62 -2.070 -4.476 4.134 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.099 -5.752 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.919 -3.655 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.844 -2.804 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.590 -4.172 7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.485 -3.074 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.198 -1.230 7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.244 -2.316 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.814 -1.486 7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.227 -2.788 8.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.350 -0.654 9.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.761 -1.250 9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.221 0.017 8.808 1.00 0.00 H new ATOM 688 N VAL A 63 -5.458 -5.603 5.831 1.00 0.00 N ATOM 689 CA VAL A 63 -6.814 -5.665 5.299 1.00 0.00 C ATOM 690 C VAL A 63 -7.701 -4.602 5.944 1.00 0.00 C ATOM 691 O VAL A 63 -7.642 -4.371 7.143 1.00 0.00 O ATOM 692 CB VAL A 63 -7.447 -7.051 5.527 1.00 0.00 C ATOM 693 CG1 VAL A 63 -8.756 -7.171 4.763 1.00 0.00 C ATOM 694 CG2 VAL A 63 -6.481 -8.154 5.122 1.00 0.00 C ATOM 0 H VAL A 63 -5.321 -6.131 6.693 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.743 -5.480 4.227 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.661 -7.162 6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.189 -8.156 4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.450 -6.404 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.569 -7.039 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.946 -9.125 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.231 -8.049 4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.572 -8.079 5.719 1.00 0.00 H new ATOM 704 N LEU A 64 -8.524 -3.956 5.124 1.00 0.00 N ATOM 705 CA LEU A 64 -9.424 -2.916 5.599 1.00 0.00 C ATOM 706 C LEU A 64 -10.793 -3.494 5.939 1.00 0.00 C ATOM 707 O LEU A 64 -11.444 -4.113 5.097 1.00 0.00 O ATOM 708 CB LEU A 64 -9.571 -1.812 4.549 1.00 0.00 C ATOM 709 CG LEU A 64 -8.390 -0.847 4.460 1.00 0.00 C ATOM 710 CD1 LEU A 64 -8.292 0.005 5.707 1.00 0.00 C ATOM 711 CD2 LEU A 64 -7.095 -1.611 4.222 1.00 0.00 C ATOM 0 H LEU A 64 -8.585 -4.137 4.122 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.993 -2.489 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.717 -2.276 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.473 -1.240 4.768 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.556 -0.181 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.443 0.683 5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.208 0.584 5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.154 -0.637 6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.264 -0.908 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.925 -2.304 5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.168 -2.169 3.288 1.00 0.00 H new ATOM 723 N SER A 65 -11.227 -3.287 7.178 1.00 0.00 N ATOM 724 CA SER A 65 -12.521 -3.786 7.629 1.00 0.00 C ATOM 725 C SER A 65 -13.343 -2.664 8.268 1.00 0.00 C ATOM 726 O SER A 65 -12.803 -1.809 8.963 1.00 0.00 O ATOM 727 CB SER A 65 -12.332 -4.924 8.634 1.00 0.00 C ATOM 728 OG SER A 65 -11.553 -5.969 8.081 1.00 0.00 O ATOM 0 H SER A 65 -10.701 -2.777 7.888 1.00 0.00 H new ATOM 0 HA SER A 65 -13.060 -4.163 6.759 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.848 -4.542 9.533 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.305 -5.312 8.936 1.00 0.00 H new ATOM 0 HG SER A 65 -11.446 -6.683 8.744 1.00 0.00 H new ATOM 734 N PRO A 66 -14.665 -2.650 8.018 1.00 0.00 N ATOM 735 CA PRO A 66 -15.556 -1.623 8.569 1.00 0.00 C ATOM 736 C PRO A 66 -15.744 -1.760 10.078 1.00 0.00 C ATOM 737 O PRO A 66 -16.271 -0.859 10.730 1.00 0.00 O ATOM 738 CB PRO A 66 -16.878 -1.871 7.841 1.00 0.00 C ATOM 739 CG PRO A 66 -16.841 -3.312 7.476 1.00 0.00 C ATOM 740 CD PRO A 66 -15.396 -3.630 7.191 1.00 0.00 C ATOM 0 HA PRO A 66 -15.155 -0.620 8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.731 -1.646 8.481 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -16.968 -1.240 6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.224 -3.930 8.288 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.464 -3.510 6.604 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.147 -4.655 7.467 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.160 -3.519 6.133 1.00 0.00 H new ATOM 748 N GLN A 67 -15.311 -2.890 10.626 1.00 0.00 N ATOM 749 CA GLN A 67 -15.435 -3.141 12.057 1.00 0.00 C ATOM 750 C GLN A 67 -14.159 -3.757 12.625 1.00 0.00 C ATOM 751 O GLN A 67 -13.742 -3.428 13.735 1.00 0.00 O ATOM 752 CB GLN A 67 -16.625 -4.062 12.333 1.00 0.00 C ATOM 753 CG GLN A 67 -17.290 -3.812 13.677 1.00 0.00 C ATOM 754 CD GLN A 67 -18.283 -2.666 13.631 1.00 0.00 C ATOM 755 OE1 GLN A 67 -18.026 -1.585 14.172 1.00 0.00 O ATOM 756 NE2 GLN A 67 -19.425 -2.897 12.995 1.00 0.00 N ATOM 0 H GLN A 67 -14.871 -3.646 10.101 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.599 -2.183 12.550 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.364 -3.934 11.542 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.289 -5.098 12.290 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.802 -4.719 14.000 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.525 -3.595 14.422 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -19.593 -3.806 12.563 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -20.134 -2.166 12.938 1.00 0.00 H new ATOM 765 N GLY A 68 -13.543 -4.654 11.859 1.00 0.00 N ATOM 766 CA GLY A 68 -12.323 -5.300 12.309 1.00 0.00 C ATOM 767 C GLY A 68 -11.207 -4.311 12.585 1.00 0.00 C ATOM 768 O GLY A 68 -11.278 -3.534 13.544 1.00 0.00 O ATOM 0 H GLY A 68 -13.867 -4.944 10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.531 -5.870 13.215 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.993 -6.012 11.553 1.00 0.00 H new ATOM 772 N GLY A 69 -10.173 -4.342 11.751 1.00 0.00 N ATOM 773 CA GLY A 69 -9.051 -3.437 11.936 1.00 0.00 C ATOM 774 C GLY A 69 -7.776 -3.963 11.298 1.00 0.00 C ATOM 775 O GLY A 69 -7.799 -4.504 10.193 1.00 0.00 O ATOM 0 H GLY A 69 -10.091 -4.973 10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.296 -2.466 11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.884 -3.281 13.002 1.00 0.00 H new ATOM 779 N GLY A 70 -6.661 -3.803 12.003 1.00 0.00 N ATOM 780 CA GLY A 70 -5.386 -4.270 11.491 1.00 0.00 C ATOM 781 C GLY A 70 -4.210 -3.739 12.290 1.00 0.00 C ATOM 782 O GLY A 70 -4.279 -2.639 12.848 1.00 0.00 O ATOM 0 H GLY A 70 -6.618 -3.358 12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.369 -5.360 11.506 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.282 -3.964 10.450 1.00 0.00 H new ATOM 786 N PRO A 71 -3.107 -4.502 12.380 1.00 0.00 N ATOM 787 CA PRO A 71 -1.913 -4.087 13.124 1.00 0.00 C ATOM 788 C PRO A 71 -1.146 -2.979 12.412 1.00 0.00 C ATOM 789 O PRO A 71 -0.487 -2.156 13.041 1.00 0.00 O ATOM 790 CB PRO A 71 -1.077 -5.364 13.188 1.00 0.00 C ATOM 791 CG PRO A 71 -1.482 -6.140 11.975 1.00 0.00 C ATOM 792 CD PRO A 71 -2.936 -5.828 11.747 1.00 0.00 C ATOM 0 HA PRO A 71 -2.161 -3.676 14.102 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.010 -5.141 13.178 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.277 -5.924 14.102 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.882 -5.854 11.111 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.332 -7.209 12.128 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.179 -5.800 10.685 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.584 -6.577 12.203 1.00 0.00 H new ATOM 800 N TRP A 72 -1.234 -2.964 11.078 1.00 0.00 N ATOM 801 CA TRP A 72 -0.549 -1.957 10.275 1.00 0.00 C ATOM 802 C TRP A 72 -1.094 -0.561 10.563 1.00 0.00 C ATOM 803 O TRP A 72 -0.413 0.440 10.337 1.00 0.00 O ATOM 804 CB TRP A 72 -0.696 -2.279 8.796 1.00 0.00 C ATOM 805 CG TRP A 72 0.213 -1.474 7.920 1.00 0.00 C ATOM 806 CD1 TRP A 72 1.572 -1.379 8.005 1.00 0.00 C ATOM 807 CD2 TRP A 72 -0.171 -0.650 6.806 1.00 0.00 C ATOM 808 NE1 TRP A 72 2.056 -0.545 7.026 1.00 0.00 N ATOM 809 CE2 TRP A 72 1.005 -0.085 6.284 1.00 0.00 C ATOM 810 CE3 TRP A 72 -1.396 -0.335 6.220 1.00 0.00 C ATOM 811 CZ2 TRP A 72 0.990 0.777 5.182 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -1.411 0.521 5.126 1.00 0.00 C ATOM 813 CH2 TRP A 72 -0.224 1.067 4.628 1.00 0.00 C ATOM 0 H TRP A 72 -1.773 -3.639 10.536 1.00 0.00 H new ATOM 0 HA TRP A 72 0.508 -1.972 10.542 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.494 -3.339 8.640 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.729 -2.104 8.494 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.181 -1.887 8.738 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.037 -0.309 6.878 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.315 -0.748 6.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 1.903 1.197 4.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.351 0.768 4.654 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.269 1.737 3.782 1.00 0.00 H new ATOM 824 N ASP A 73 -2.327 -0.497 11.061 1.00 0.00 N ATOM 825 CA ASP A 73 -2.963 0.778 11.388 1.00 0.00 C ATOM 826 C ASP A 73 -2.077 1.617 12.297 1.00 0.00 C ATOM 827 O ASP A 73 -1.960 2.830 12.132 1.00 0.00 O ATOM 828 CB ASP A 73 -4.323 0.540 12.041 1.00 0.00 C ATOM 829 CG ASP A 73 -5.061 1.832 12.333 1.00 0.00 C ATOM 830 OD1 ASP A 73 -4.473 2.718 12.990 1.00 0.00 O ATOM 831 OD2 ASP A 73 -6.229 1.958 11.907 1.00 0.00 O ATOM 0 H ASP A 73 -2.907 -1.315 11.247 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.110 1.330 10.460 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.933 -0.083 11.386 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.185 -0.014 12.970 1.00 0.00 H new ATOM 836 N SER A 74 -1.455 0.961 13.280 1.00 0.00 N ATOM 837 CA SER A 74 -0.579 1.645 14.215 1.00 0.00 C ATOM 838 C SER A 74 0.611 2.282 13.501 1.00 0.00 C ATOM 839 O SER A 74 1.257 3.183 14.037 1.00 0.00 O ATOM 840 CB SER A 74 -0.085 0.669 15.292 1.00 0.00 C ATOM 841 OG SER A 74 -0.019 1.294 16.554 1.00 0.00 O ATOM 0 H SER A 74 -1.546 -0.042 13.443 1.00 0.00 H new ATOM 0 HA SER A 74 -1.154 2.441 14.688 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.754 -0.190 15.343 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.900 0.290 15.019 1.00 0.00 H new ATOM 0 HG SER A 74 0.297 0.650 17.222 1.00 0.00 H new ATOM 847 N VAL A 75 0.897 1.808 12.293 1.00 0.00 N ATOM 848 CA VAL A 75 2.009 2.333 11.511 1.00 0.00 C ATOM 849 C VAL A 75 1.532 3.380 10.507 1.00 0.00 C ATOM 850 O VAL A 75 1.761 4.575 10.689 1.00 0.00 O ATOM 851 CB VAL A 75 2.748 1.208 10.759 1.00 0.00 C ATOM 852 CG1 VAL A 75 3.970 1.755 10.044 1.00 0.00 C ATOM 853 CG2 VAL A 75 3.143 0.096 11.721 1.00 0.00 C ATOM 0 H VAL A 75 0.374 1.062 11.835 1.00 0.00 H new ATOM 0 HA VAL A 75 2.698 2.800 12.215 1.00 0.00 H new ATOM 0 HB VAL A 75 2.073 0.793 10.011 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.477 0.945 9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.662 2.515 9.326 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.650 2.198 10.772 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.664 -0.690 11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.800 0.498 12.492 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.248 -0.317 12.187 1.00 0.00 H new ATOM 863 N ALA A 76 0.867 2.924 9.449 1.00 0.00 N ATOM 864 CA ALA A 76 0.359 3.824 8.422 1.00 0.00 C ATOM 865 C ALA A 76 -1.126 3.590 8.171 1.00 0.00 C ATOM 866 O ALA A 76 -1.709 2.636 8.685 1.00 0.00 O ATOM 867 CB ALA A 76 1.145 3.647 7.133 1.00 0.00 C ATOM 0 H ALA A 76 0.668 1.938 9.282 1.00 0.00 H new ATOM 0 HA ALA A 76 0.484 4.847 8.777 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.756 4.325 6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.196 3.870 7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.047 2.618 6.786 1.00 0.00 H new ATOM 873 N ARG A 77 -1.730 4.466 7.377 1.00 0.00 N ATOM 874 CA ARG A 77 -3.148 4.353 7.068 1.00 0.00 C ATOM 875 C ARG A 77 -3.465 5.024 5.727 1.00 0.00 C ATOM 876 O ARG A 77 -2.765 5.942 5.308 1.00 0.00 O ATOM 877 CB ARG A 77 -3.992 4.976 8.180 1.00 0.00 C ATOM 878 CG ARG A 77 -5.420 4.462 8.211 1.00 0.00 C ATOM 879 CD ARG A 77 -5.757 3.857 9.564 1.00 0.00 C ATOM 880 NE ARG A 77 -6.531 2.625 9.427 1.00 0.00 N ATOM 881 CZ ARG A 77 -7.831 2.594 9.143 1.00 0.00 C ATOM 882 NH1 ARG A 77 -8.505 3.722 8.968 1.00 0.00 N ATOM 883 NH2 ARG A 77 -8.459 1.430 9.043 1.00 0.00 N ATOM 0 H ARG A 77 -1.262 5.259 6.938 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.395 3.294 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.520 4.774 9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.006 6.058 8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.108 5.279 7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.557 3.713 7.431 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.836 3.650 10.110 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.322 4.578 10.155 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.047 1.737 9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.027 4.620 9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.501 3.692 8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.946 0.560 9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.455 1.405 8.825 1.00 0.00 H new ATOM 897 N VAL A 78 -4.524 4.557 5.073 1.00 0.00 N ATOM 898 CA VAL A 78 -4.935 5.109 3.789 1.00 0.00 C ATOM 899 C VAL A 78 -5.717 6.407 3.974 1.00 0.00 C ATOM 900 O VAL A 78 -6.635 6.479 4.800 1.00 0.00 O ATOM 901 CB VAL A 78 -5.796 4.105 2.997 1.00 0.00 C ATOM 902 CG1 VAL A 78 -7.075 3.778 3.754 1.00 0.00 C ATOM 903 CG2 VAL A 78 -6.111 4.643 1.609 1.00 0.00 C ATOM 0 H VAL A 78 -5.113 3.797 5.413 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.025 5.317 3.225 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.226 3.183 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.668 3.068 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.824 3.341 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.651 4.691 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.719 3.919 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.658 5.582 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.182 4.815 1.066 1.00 0.00 H new ATOM 913 N LEU A 79 -5.348 7.429 3.210 1.00 0.00 N ATOM 914 CA LEU A 79 -6.014 8.723 3.290 1.00 0.00 C ATOM 915 C LEU A 79 -7.381 8.677 2.611 1.00 0.00 C ATOM 916 O LEU A 79 -7.587 7.918 1.663 1.00 0.00 O ATOM 917 CB LEU A 79 -5.148 9.809 2.649 1.00 0.00 C ATOM 918 CG LEU A 79 -3.899 10.193 3.445 1.00 0.00 C ATOM 919 CD1 LEU A 79 -2.662 9.534 2.853 1.00 0.00 C ATOM 920 CD2 LEU A 79 -3.732 11.706 3.481 1.00 0.00 C ATOM 0 H LEU A 79 -4.591 7.386 2.528 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.161 8.962 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.840 9.470 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.758 10.701 2.505 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.022 9.836 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.785 9.820 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.778 8.451 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.536 9.859 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.839 11.960 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.633 12.085 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.605 12.157 3.953 1.00 0.00 H new ATOM 932 N PRO A 80 -8.335 9.496 3.090 1.00 0.00 N ATOM 933 CA PRO A 80 -9.690 9.549 2.531 1.00 0.00 C ATOM 934 C PRO A 80 -9.695 9.718 1.014 1.00 0.00 C ATOM 935 O PRO A 80 -10.662 9.354 0.345 1.00 0.00 O ATOM 936 CB PRO A 80 -10.303 10.778 3.212 1.00 0.00 C ATOM 937 CG PRO A 80 -9.566 10.908 4.500 1.00 0.00 C ATOM 938 CD PRO A 80 -8.166 10.432 4.218 1.00 0.00 C ATOM 0 HA PRO A 80 -10.239 8.624 2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.185 11.670 2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.372 10.645 3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.566 11.941 4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.034 10.308 5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.507 11.260 3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.729 9.938 5.086 1.00 0.00 H new ATOM 946 N ASN A 81 -8.612 10.273 0.484 1.00 0.00 N ATOM 947 CA ASN A 81 -8.503 10.488 -0.947 1.00 0.00 C ATOM 948 C ASN A 81 -7.921 9.263 -1.654 1.00 0.00 C ATOM 949 O ASN A 81 -7.534 9.338 -2.828 1.00 0.00 O ATOM 950 CB ASN A 81 -7.636 11.716 -1.235 1.00 0.00 C ATOM 951 CG ASN A 81 -6.208 11.542 -0.768 1.00 0.00 C ATOM 952 OD1 ASN A 81 -5.332 11.134 -1.523 1.00 0.00 O ATOM 953 ND2 ASN A 81 -5.964 11.850 0.493 1.00 0.00 N ATOM 0 H ASN A 81 -7.802 10.580 1.023 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.508 10.657 -1.334 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.642 11.917 -2.306 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.071 12.587 -0.745 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.021 11.751 0.869 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.719 12.186 1.091 1.00 0.00 H new ATOM 960 N GLY A 82 -7.864 8.136 -0.947 1.00 0.00 N ATOM 961 CA GLY A 82 -7.330 6.921 -1.534 1.00 0.00 C ATOM 962 C GLY A 82 -5.825 6.969 -1.706 1.00 0.00 C ATOM 963 O GLY A 82 -5.307 6.655 -2.777 1.00 0.00 O ATOM 0 H GLY A 82 -8.178 8.044 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.593 6.071 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.798 6.755 -2.504 1.00 0.00 H new ATOM 967 N SER A 83 -5.121 7.364 -0.650 1.00 0.00 N ATOM 968 CA SER A 83 -3.666 7.450 -0.693 1.00 0.00 C ATOM 969 C SER A 83 -3.039 6.645 0.425 1.00 0.00 C ATOM 970 O SER A 83 -3.716 5.861 1.091 1.00 0.00 O ATOM 971 CB SER A 83 -3.218 8.909 -0.612 1.00 0.00 C ATOM 972 OG SER A 83 -1.859 9.049 -0.982 1.00 0.00 O ATOM 0 H SER A 83 -5.534 7.629 0.244 1.00 0.00 H new ATOM 0 HA SER A 83 -3.331 7.030 -1.641 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.840 9.520 -1.266 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.361 9.280 0.403 1.00 0.00 H new ATOM 0 HG SER A 83 -1.599 9.992 -0.922 1.00 0.00 H new ATOM 978 N LEU A 84 -1.744 6.844 0.638 1.00 0.00 N ATOM 979 CA LEU A 84 -1.023 6.140 1.700 1.00 0.00 C ATOM 980 C LEU A 84 -0.027 7.067 2.378 1.00 0.00 C ATOM 981 O LEU A 84 0.693 7.813 1.718 1.00 0.00 O ATOM 982 CB LEU A 84 -0.292 4.924 1.115 1.00 0.00 C ATOM 983 CG LEU A 84 -0.340 3.668 1.991 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.321 2.656 1.421 1.00 0.00 C ATOM 985 CD2 LEU A 84 1.047 3.054 2.119 1.00 0.00 C ATOM 0 H LEU A 84 -1.169 7.486 0.092 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.744 5.803 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.725 4.689 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.751 5.191 0.943 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.683 3.955 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.341 1.771 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.317 3.097 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.009 2.373 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.994 2.163 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.417 2.782 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.724 3.777 2.574 1.00 0.00 H new ATOM 997 N PHE A 85 0.008 7.015 3.705 1.00 0.00 N ATOM 998 CA PHE A 85 0.920 7.851 4.478 1.00 0.00 C ATOM 999 C PHE A 85 1.586 7.041 5.587 1.00 0.00 C ATOM 1000 O PHE A 85 0.909 6.420 6.409 1.00 0.00 O ATOM 1001 CB PHE A 85 0.169 9.048 5.071 1.00 0.00 C ATOM 1002 CG PHE A 85 0.978 9.856 6.050 1.00 0.00 C ATOM 1003 CD1 PHE A 85 2.332 10.071 5.852 1.00 0.00 C ATOM 1004 CD2 PHE A 85 0.382 10.400 7.177 1.00 0.00 C ATOM 1005 CE1 PHE A 85 3.075 10.812 6.742 1.00 0.00 C ATOM 1006 CE2 PHE A 85 1.120 11.142 8.078 1.00 0.00 C ATOM 1007 CZ PHE A 85 2.468 11.348 7.861 1.00 0.00 C ATOM 0 H PHE A 85 -0.584 6.404 4.268 1.00 0.00 H new ATOM 0 HA PHE A 85 1.698 8.221 3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.155 9.699 4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.731 8.688 5.569 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.814 9.649 4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.672 10.242 7.353 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.128 10.974 6.566 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.643 11.561 8.952 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.047 11.927 8.565 1.00 0.00 H new ATOM 1017 N LEU A 86 2.916 7.053 5.606 1.00 0.00 N ATOM 1018 CA LEU A 86 3.674 6.321 6.614 1.00 0.00 C ATOM 1019 C LEU A 86 4.517 7.276 7.468 1.00 0.00 C ATOM 1020 O LEU A 86 5.395 7.963 6.937 1.00 0.00 O ATOM 1021 CB LEU A 86 4.577 5.281 5.947 1.00 0.00 C ATOM 1022 CG LEU A 86 3.854 4.043 5.416 1.00 0.00 C ATOM 1023 CD1 LEU A 86 4.287 3.747 3.981 1.00 0.00 C ATOM 1024 CD2 LEU A 86 4.110 2.839 6.305 1.00 0.00 C ATOM 0 H LEU A 86 3.490 7.562 4.934 1.00 0.00 H new ATOM 0 HA LEU A 86 2.965 5.812 7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.105 5.757 5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.331 4.962 6.666 1.00 0.00 H new ATOM 0 HG LEU A 86 2.783 4.248 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.763 2.863 3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.045 4.599 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.362 3.568 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.584 1.972 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.180 2.631 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.750 3.048 7.313 1.00 0.00 H new ATOM 1036 N PRO A 87 4.265 7.335 8.781 1.00 0.00 N ATOM 1037 CA PRO A 87 5.013 8.216 9.685 1.00 0.00 C ATOM 1038 C PRO A 87 6.519 8.006 9.578 1.00 0.00 C ATOM 1039 O PRO A 87 7.272 8.947 9.329 1.00 0.00 O ATOM 1040 CB PRO A 87 4.515 7.813 11.074 1.00 0.00 C ATOM 1041 CG PRO A 87 3.167 7.226 10.839 1.00 0.00 C ATOM 1042 CD PRO A 87 3.238 6.554 9.504 1.00 0.00 C ATOM 0 HA PRO A 87 4.853 9.269 9.452 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.185 7.091 11.540 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.461 8.674 11.740 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.910 6.513 11.622 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.398 7.999 10.847 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.522 5.506 9.597 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.277 6.580 8.990 1.00 0.00 H new ATOM 1050 N ALA A 88 6.951 6.763 9.767 1.00 0.00 N ATOM 1051 CA ALA A 88 8.367 6.425 9.700 1.00 0.00 C ATOM 1052 C ALA A 88 8.582 5.145 8.893 1.00 0.00 C ATOM 1053 O ALA A 88 8.356 4.043 9.394 1.00 0.00 O ATOM 1054 CB ALA A 88 8.950 6.281 11.090 1.00 0.00 C ATOM 0 H ALA A 88 6.339 5.972 9.968 1.00 0.00 H new ATOM 0 HA ALA A 88 8.885 7.239 9.193 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.008 6.029 11.017 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.838 7.221 11.631 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.425 5.490 11.625 1.00 0.00 H new ATOM 1060 N VAL A 89 9.019 5.296 7.647 1.00 0.00 N ATOM 1061 CA VAL A 89 9.263 4.150 6.788 1.00 0.00 C ATOM 1062 C VAL A 89 10.644 3.557 7.031 1.00 0.00 C ATOM 1063 O VAL A 89 11.662 4.202 6.783 1.00 0.00 O ATOM 1064 CB VAL A 89 9.144 4.534 5.300 1.00 0.00 C ATOM 1065 CG1 VAL A 89 9.226 3.296 4.420 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.851 5.294 5.048 1.00 0.00 C ATOM 0 H VAL A 89 9.210 6.199 7.213 1.00 0.00 H new ATOM 0 HA VAL A 89 8.504 3.407 7.034 1.00 0.00 H new ATOM 0 HB VAL A 89 9.978 5.187 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.140 3.587 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.182 2.798 4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.415 2.614 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.783 5.557 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.002 4.668 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.840 6.203 5.650 1.00 0.00 H new ATOM 1076 N GLY A 90 10.671 2.324 7.526 1.00 0.00 N ATOM 1077 CA GLY A 90 11.931 1.663 7.805 1.00 0.00 C ATOM 1078 C GLY A 90 12.092 0.370 7.030 1.00 0.00 C ATOM 1079 O GLY A 90 11.408 0.148 6.031 1.00 0.00 O ATOM 0 H GLY A 90 9.841 1.771 7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.753 2.335 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.999 1.454 8.873 1.00 0.00 H new ATOM 1083 N ILE A 91 12.998 -0.484 7.491 1.00 0.00 N ATOM 1084 CA ILE A 91 13.249 -1.762 6.844 1.00 0.00 C ATOM 1085 C ILE A 91 11.995 -2.629 6.832 1.00 0.00 C ATOM 1086 O ILE A 91 11.764 -3.391 5.892 1.00 0.00 O ATOM 1087 CB ILE A 91 14.389 -2.537 7.525 1.00 0.00 C ATOM 1088 CG1 ILE A 91 14.203 -2.525 9.045 1.00 0.00 C ATOM 1089 CG2 ILE A 91 15.737 -1.944 7.152 1.00 0.00 C ATOM 1090 CD1 ILE A 91 14.145 -3.908 9.657 1.00 0.00 C ATOM 0 H ILE A 91 13.573 -0.311 8.315 1.00 0.00 H new ATOM 0 HA ILE A 91 13.544 -1.536 5.819 1.00 0.00 H new ATOM 0 HB ILE A 91 14.361 -3.570 7.177 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.024 -1.970 9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.284 -1.991 9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 91 16.531 -2.506 7.644 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.871 -1.996 6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.778 -0.903 7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 91 14.012 -3.823 10.736 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.307 -4.460 9.230 1.00 0.00 H new ATOM 0 HD13 ILE A 91 15.074 -4.438 9.446 1.00 0.00 H new ATOM 1102 N GLN A 92 11.188 -2.508 7.880 1.00 0.00 N ATOM 1103 CA GLN A 92 9.955 -3.281 7.981 1.00 0.00 C ATOM 1104 C GLN A 92 8.941 -2.851 6.932 1.00 0.00 C ATOM 1105 O GLN A 92 7.994 -3.581 6.629 1.00 0.00 O ATOM 1106 CB GLN A 92 9.353 -3.120 9.379 1.00 0.00 C ATOM 1107 CG GLN A 92 10.259 -3.616 10.494 1.00 0.00 C ATOM 1108 CD GLN A 92 9.980 -2.935 11.819 1.00 0.00 C ATOM 1109 OE1 GLN A 92 8.840 -2.894 12.281 1.00 0.00 O ATOM 1110 NE2 GLN A 92 11.023 -2.393 12.438 1.00 0.00 N ATOM 0 H GLN A 92 11.364 -1.885 8.668 1.00 0.00 H new ATOM 0 HA GLN A 92 10.200 -4.328 7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.126 -2.067 9.548 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.408 -3.661 9.423 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.131 -4.692 10.609 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.299 -3.446 10.215 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.951 -2.450 12.019 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.896 -1.920 13.332 1.00 0.00 H new ATOM 1119 N ASP A 93 9.139 -1.663 6.359 1.00 0.00 N ATOM 1120 CA ASP A 93 8.238 -1.141 5.339 1.00 0.00 C ATOM 1121 C ASP A 93 8.712 -1.512 3.934 1.00 0.00 C ATOM 1122 O ASP A 93 7.940 -1.451 2.984 1.00 0.00 O ATOM 1123 CB ASP A 93 8.122 0.379 5.462 1.00 0.00 C ATOM 1124 CG ASP A 93 7.267 0.799 6.643 1.00 0.00 C ATOM 1125 OD1 ASP A 93 7.034 -0.042 7.544 1.00 0.00 O ATOM 1126 OD2 ASP A 93 6.833 1.970 6.674 1.00 0.00 O ATOM 0 H ASP A 93 9.918 -1.045 6.587 1.00 0.00 H new ATOM 0 HA ASP A 93 7.259 -1.592 5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.118 0.810 5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.694 0.784 4.545 1.00 0.00 H new ATOM 1131 N GLU A 94 9.983 -1.894 3.813 1.00 0.00 N ATOM 1132 CA GLU A 94 10.550 -2.269 2.519 1.00 0.00 C ATOM 1133 C GLU A 94 9.658 -3.274 1.794 1.00 0.00 C ATOM 1134 O GLU A 94 8.655 -3.737 2.338 1.00 0.00 O ATOM 1135 CB GLU A 94 11.950 -2.858 2.702 1.00 0.00 C ATOM 1136 CG GLU A 94 12.962 -1.864 3.243 1.00 0.00 C ATOM 1137 CD GLU A 94 14.274 -2.522 3.629 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.284 -3.293 4.611 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.289 -2.268 2.947 1.00 0.00 O ATOM 0 H GLU A 94 10.638 -1.952 4.593 1.00 0.00 H new ATOM 0 HA GLU A 94 10.615 -1.367 1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.891 -3.709 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.303 -3.238 1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.151 -1.097 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.542 -1.360 4.114 1.00 0.00 H new ATOM 1146 N GLY A 95 10.034 -3.607 0.562 1.00 0.00 N ATOM 1147 CA GLY A 95 9.260 -4.554 -0.203 1.00 0.00 C ATOM 1148 C GLY A 95 8.451 -3.881 -1.294 1.00 0.00 C ATOM 1149 O GLY A 95 8.628 -2.694 -1.565 1.00 0.00 O ATOM 0 H GLY A 95 10.857 -3.237 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.928 -5.290 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.589 -5.095 0.464 1.00 0.00 H new ATOM 1153 N ILE A 96 7.559 -4.642 -1.922 1.00 0.00 N ATOM 1154 CA ILE A 96 6.717 -4.112 -2.989 1.00 0.00 C ATOM 1155 C ILE A 96 5.296 -3.875 -2.500 1.00 0.00 C ATOM 1156 O ILE A 96 4.801 -4.607 -1.638 1.00 0.00 O ATOM 1157 CB ILE A 96 6.672 -5.064 -4.202 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.067 -5.619 -4.512 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.105 -4.346 -5.417 1.00 0.00 C ATOM 1160 CD1 ILE A 96 8.184 -7.110 -4.274 1.00 0.00 C ATOM 0 H ILE A 96 7.401 -5.627 -1.710 1.00 0.00 H new ATOM 0 HA ILE A 96 7.161 -3.165 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 96 6.020 -5.902 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.314 -5.403 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.802 -5.101 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.079 -5.030 -6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.094 -4.002 -5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.734 -3.490 -5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.196 -7.438 -4.512 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.968 -7.330 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.472 -7.637 -4.910 1.00 0.00 H new ATOM 1172 N PHE A 97 4.644 -2.849 -3.031 1.00 0.00 N ATOM 1173 CA PHE A 97 3.277 -2.520 -2.644 1.00 0.00 C ATOM 1174 C PHE A 97 2.328 -2.605 -3.836 1.00 0.00 C ATOM 1175 O PHE A 97 2.667 -2.182 -4.933 1.00 0.00 O ATOM 1176 CB PHE A 97 3.221 -1.116 -2.030 1.00 0.00 C ATOM 1177 CG PHE A 97 3.969 -0.985 -0.733 1.00 0.00 C ATOM 1178 CD1 PHE A 97 3.894 -1.979 0.215 1.00 0.00 C ATOM 1179 CD2 PHE A 97 4.746 0.133 -0.477 1.00 0.00 C ATOM 1180 CE1 PHE A 97 4.580 -1.859 1.416 1.00 0.00 C ATOM 1181 CE2 PHE A 97 5.434 0.259 0.698 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.351 -0.739 1.650 1.00 0.00 C ATOM 0 H PHE A 97 5.042 -2.227 -3.735 1.00 0.00 H new ATOM 0 HA PHE A 97 2.956 -3.250 -1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.627 -0.401 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.178 -0.844 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.297 -2.859 0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.809 0.917 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.511 -2.637 2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.039 1.134 0.881 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.891 -0.642 2.580 1.00 0.00 H new ATOM 1192 N ARG A 98 1.136 -3.148 -3.604 1.00 0.00 N ATOM 1193 CA ARG A 98 0.138 -3.281 -4.651 1.00 0.00 C ATOM 1194 C ARG A 98 -1.244 -2.875 -4.147 1.00 0.00 C ATOM 1195 O ARG A 98 -1.596 -3.129 -2.995 1.00 0.00 O ATOM 1196 CB ARG A 98 0.105 -4.718 -5.184 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.894 -4.931 -6.302 1.00 0.00 C ATOM 1198 CD ARG A 98 -1.223 -6.404 -6.482 1.00 0.00 C ATOM 1199 NE ARG A 98 -0.101 -7.150 -7.047 1.00 0.00 N ATOM 1200 CZ ARG A 98 0.234 -7.126 -8.335 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -0.463 -6.392 -9.194 1.00 0.00 N ATOM 1202 NH2 ARG A 98 1.268 -7.835 -8.765 1.00 0.00 N ATOM 0 H ARG A 98 0.841 -3.503 -2.695 1.00 0.00 H new ATOM 0 HA ARG A 98 0.416 -2.611 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.099 -4.986 -5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.132 -5.395 -4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.807 -4.377 -6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.491 -4.531 -7.232 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.497 -6.835 -5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.091 -6.505 -7.134 1.00 0.00 H new ATOM 0 HE ARG A 98 0.459 -7.724 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.259 -5.844 -8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.203 -6.377 -10.180 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.808 -8.399 -8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.524 -7.816 -9.752 1.00 0.00 H new ATOM 1216 N CYS A 99 -2.022 -2.238 -5.017 1.00 0.00 N ATOM 1217 CA CYS A 99 -3.363 -1.790 -4.668 1.00 0.00 C ATOM 1218 C CYS A 99 -4.423 -2.497 -5.499 1.00 0.00 C ATOM 1219 O CYS A 99 -4.153 -2.941 -6.624 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.481 -0.275 -4.837 1.00 0.00 C ATOM 1221 SG CYS A 99 -3.093 0.680 -3.335 1.00 0.00 S ATOM 0 H CYS A 99 -1.743 -2.020 -5.974 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.534 -2.045 -3.622 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.813 0.042 -5.638 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.496 -0.035 -5.154 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.631 -2.597 -4.960 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.738 -3.247 -5.642 1.00 0.00 C ATOM 1228 C GLN A 100 -8.076 -2.727 -5.123 1.00 0.00 C ATOM 1229 O GLN A 100 -8.403 -2.890 -3.956 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.660 -4.764 -5.457 1.00 0.00 C ATOM 1231 CG GLN A 100 -7.774 -5.522 -6.158 1.00 0.00 C ATOM 1232 CD GLN A 100 -7.755 -7.005 -5.847 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -6.734 -7.550 -5.430 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -8.889 -7.667 -6.049 1.00 0.00 N ATOM 0 H GLN A 100 -5.869 -2.230 -4.039 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.665 -3.015 -6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.700 -5.118 -5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.691 -4.993 -4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.736 -5.104 -5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.684 -5.379 -7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.712 -7.175 -6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.937 -8.668 -5.857 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.845 -2.100 -6.016 1.00 0.00 N ATOM 1244 CA ALA A 101 -10.147 -1.555 -5.638 1.00 0.00 C ATOM 1245 C ALA A 101 -11.275 -2.333 -6.305 1.00 0.00 C ATOM 1246 O ALA A 101 -11.398 -2.338 -7.529 1.00 0.00 O ATOM 1247 CB ALA A 101 -10.226 -0.082 -6.011 1.00 0.00 C ATOM 0 H ALA A 101 -8.591 -1.959 -6.994 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.260 -1.652 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.200 0.314 -5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.443 0.468 -5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.091 0.029 -7.087 1.00 0.00 H new ATOM 1253 N MET A 102 -12.096 -2.990 -5.500 1.00 0.00 N ATOM 1254 CA MET A 102 -13.214 -3.775 -6.012 1.00 0.00 C ATOM 1255 C MET A 102 -14.413 -2.885 -6.314 1.00 0.00 C ATOM 1256 O MET A 102 -14.926 -2.188 -5.444 1.00 0.00 O ATOM 1257 CB MET A 102 -13.612 -4.850 -4.991 1.00 0.00 C ATOM 1258 CG MET A 102 -14.552 -5.903 -5.559 1.00 0.00 C ATOM 1259 SD MET A 102 -13.760 -7.511 -5.764 1.00 0.00 S ATOM 1260 CE MET A 102 -13.852 -8.140 -4.081 1.00 0.00 C ATOM 0 H MET A 102 -12.010 -2.996 -4.484 1.00 0.00 H new ATOM 0 HA MET A 102 -12.897 -4.253 -6.939 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.712 -5.339 -4.620 1.00 0.00 H new ATOM 0 HB3 MET A 102 -14.089 -4.370 -4.136 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.413 -6.009 -4.899 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.930 -5.564 -6.524 1.00 0.00 H new ATOM 0 HE1 MET A 102 -13.402 -9.132 -4.038 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.314 -7.468 -3.412 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.895 -8.201 -3.772 1.00 0.00 H new ATOM 1270 N ASN A 103 -14.856 -2.914 -7.566 1.00 0.00 N ATOM 1271 CA ASN A 103 -15.996 -2.112 -7.995 1.00 0.00 C ATOM 1272 C ASN A 103 -17.293 -2.908 -7.882 1.00 0.00 C ATOM 1273 O ASN A 103 -17.315 -4.002 -7.315 1.00 0.00 O ATOM 1274 CB ASN A 103 -15.798 -1.635 -9.444 1.00 0.00 C ATOM 1275 CG ASN A 103 -15.499 -0.151 -9.524 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -15.099 0.468 -8.529 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -15.694 0.430 -10.694 1.00 0.00 N ATOM 0 H ASN A 103 -14.442 -3.485 -8.303 1.00 0.00 H new ATOM 0 HA ASN A 103 -16.065 -1.243 -7.340 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -14.980 -2.193 -9.900 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -16.695 -1.855 -10.023 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -15.514 1.428 -10.804 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -16.025 -0.119 -11.487 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.372 -2.355 -8.427 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.672 -3.015 -8.396 1.00 0.00 C ATOM 1286 C ARG A 104 -19.655 -4.302 -9.206 1.00 0.00 C ATOM 1287 O ARG A 104 -20.344 -5.268 -8.878 1.00 0.00 O ATOM 1288 CB ARG A 104 -20.760 -2.078 -8.917 1.00 0.00 C ATOM 1289 CG ARG A 104 -21.066 -0.914 -7.996 1.00 0.00 C ATOM 1290 CD ARG A 104 -21.841 0.181 -8.712 1.00 0.00 C ATOM 1291 NE ARG A 104 -20.983 1.303 -9.079 1.00 0.00 N ATOM 1292 CZ ARG A 104 -20.589 2.250 -8.231 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -20.973 2.215 -6.961 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -19.807 3.234 -8.653 1.00 0.00 N ATOM 0 H ARG A 104 -18.371 -1.449 -8.896 1.00 0.00 H new ATOM 0 HA ARG A 104 -19.892 -3.270 -7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -20.455 -1.689 -9.888 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -21.673 -2.652 -9.076 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -21.642 -1.268 -7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -20.135 -0.505 -7.605 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -22.305 -0.230 -9.609 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -22.647 0.535 -8.069 1.00 0.00 H new ATOM 0 HE ARG A 104 -20.665 1.365 -10.046 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -21.573 1.460 -6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -20.668 2.944 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -19.507 3.265 -9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -19.505 3.960 -8.003 1.00 0.00 H new ATOM 1308 N ASN A 105 -18.864 -4.308 -10.274 1.00 0.00 N ATOM 1309 CA ASN A 105 -18.758 -5.477 -11.148 1.00 0.00 C ATOM 1310 C ASN A 105 -17.628 -6.399 -10.696 1.00 0.00 C ATOM 1311 O ASN A 105 -17.625 -7.589 -11.008 1.00 0.00 O ATOM 1312 CB ASN A 105 -18.527 -5.043 -12.589 1.00 0.00 C ATOM 1313 CG ASN A 105 -19.649 -4.170 -13.124 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -20.050 -3.199 -12.475 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -20.162 -4.513 -14.300 1.00 0.00 N ATOM 0 H ASN A 105 -18.286 -3.517 -10.558 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.697 -6.027 -11.087 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.585 -4.498 -12.654 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.428 -5.927 -13.219 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -20.921 -3.965 -14.705 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -19.797 -5.324 -14.799 1.00 0.00 H new ATOM 1322 N GLY A 106 -16.670 -5.845 -9.950 1.00 0.00 N ATOM 1323 CA GLY A 106 -15.552 -6.637 -9.471 1.00 0.00 C ATOM 1324 C GLY A 106 -14.261 -6.314 -10.197 1.00 0.00 C ATOM 1325 O GLY A 106 -13.477 -7.210 -10.510 1.00 0.00 O ATOM 0 H GLY A 106 -16.651 -4.864 -9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.418 -6.463 -8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.780 -7.695 -9.595 1.00 0.00 H new ATOM 1329 N LYS A 107 -14.041 -5.032 -10.465 1.00 0.00 N ATOM 1330 CA LYS A 107 -12.837 -4.590 -11.159 1.00 0.00 C ATOM 1331 C LYS A 107 -11.673 -4.438 -10.192 1.00 0.00 C ATOM 1332 O LYS A 107 -11.876 -4.223 -8.990 1.00 0.00 O ATOM 1333 CB LYS A 107 -13.097 -3.262 -11.874 1.00 0.00 C ATOM 1334 CG LYS A 107 -11.878 -2.702 -12.590 1.00 0.00 C ATOM 1335 CD LYS A 107 -12.240 -1.499 -13.446 1.00 0.00 C ATOM 1336 CE LYS A 107 -11.002 -0.733 -13.883 1.00 0.00 C ATOM 1337 NZ LYS A 107 -11.350 0.498 -14.646 1.00 0.00 N ATOM 0 H LYS A 107 -14.681 -4.280 -10.212 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.574 -5.349 -11.895 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -13.900 -3.401 -12.598 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -13.447 -2.530 -11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.124 -2.415 -11.857 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.435 -3.476 -13.217 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.793 -1.830 -14.325 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.899 -0.837 -12.885 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.414 -0.462 -13.006 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.376 -1.377 -14.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.478 0.991 -14.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.889 0.238 -15.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.926 1.125 -14.049 1.00 0.00 H new ATOM 1351 N GLU A 108 -10.455 -4.551 -10.702 1.00 0.00 N ATOM 1352 CA GLU A 108 -9.256 -4.425 -9.879 1.00 0.00 C ATOM 1353 C GLU A 108 -8.283 -3.425 -10.495 1.00 0.00 C ATOM 1354 O GLU A 108 -8.220 -3.280 -11.724 1.00 0.00 O ATOM 1355 CB GLU A 108 -8.575 -5.785 -9.718 1.00 0.00 C ATOM 1356 CG GLU A 108 -8.299 -6.485 -11.038 1.00 0.00 C ATOM 1357 CD GLU A 108 -7.580 -7.808 -10.858 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -8.004 -8.600 -9.989 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -6.594 -8.052 -11.592 1.00 0.00 O ATOM 0 H GLU A 108 -10.268 -4.731 -11.688 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.554 -4.060 -8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.635 -5.650 -9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.204 -6.426 -9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.241 -6.656 -11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.699 -5.833 -11.672 1.00 0.00 H new ATOM 1366 N THR A 109 -7.524 -2.738 -9.647 1.00 0.00 N ATOM 1367 CA THR A 109 -6.555 -1.756 -10.121 1.00 0.00 C ATOM 1368 C THR A 109 -5.152 -2.358 -10.176 1.00 0.00 C ATOM 1369 O THR A 109 -4.748 -3.087 -9.263 1.00 0.00 O ATOM 1370 CB THR A 109 -6.568 -0.513 -9.229 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.728 0.495 -9.762 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.117 -0.782 -7.810 1.00 0.00 C ATOM 0 H THR A 109 -7.561 -2.842 -8.633 1.00 0.00 H new ATOM 0 HA THR A 109 -6.839 -1.461 -11.131 1.00 0.00 H new ATOM 0 HB THR A 109 -7.609 -0.191 -9.204 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.751 1.282 -9.179 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.152 0.144 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.777 -1.518 -7.352 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.097 -1.165 -7.819 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.417 -2.052 -11.233 1.00 0.00 N ATOM 1381 CA LYS A 110 -3.063 -2.565 -11.398 1.00 0.00 C ATOM 1382 C LYS A 110 -2.030 -1.532 -10.968 1.00 0.00 C ATOM 1383 O LYS A 110 -1.992 -0.418 -11.482 1.00 0.00 O ATOM 1384 CB LYS A 110 -2.819 -2.961 -12.864 1.00 0.00 C ATOM 1385 CG LYS A 110 -1.756 -4.033 -13.026 1.00 0.00 C ATOM 1386 CD LYS A 110 -1.960 -4.821 -14.310 1.00 0.00 C ATOM 1387 CE LYS A 110 -0.937 -5.936 -14.449 1.00 0.00 C ATOM 1388 NZ LYS A 110 0.456 -5.440 -14.274 1.00 0.00 N ATOM 0 H LYS A 110 -4.735 -1.450 -11.992 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.958 -3.445 -10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.754 -3.317 -13.298 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.522 -2.077 -13.428 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.769 -3.571 -13.033 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.786 -4.710 -12.172 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.964 -5.244 -14.323 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.886 -4.150 -15.166 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.142 -6.710 -13.709 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.036 -6.399 -15.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.099 -5.991 -14.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.503 -4.436 -14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.740 -5.546 -13.279 1.00 0.00 H new ATOM 1402 N SER A 111 -1.194 -1.911 -9.998 1.00 0.00 N ATOM 1403 CA SER A 111 -0.160 -1.018 -9.490 1.00 0.00 C ATOM 1404 C SER A 111 0.826 -1.775 -8.606 1.00 0.00 C ATOM 1405 O SER A 111 0.428 -2.492 -7.689 1.00 0.00 O ATOM 1406 CB SER A 111 -0.790 0.131 -8.701 1.00 0.00 C ATOM 1407 OG SER A 111 -1.417 1.062 -9.567 1.00 0.00 O ATOM 0 H SER A 111 -1.216 -2.828 -9.552 1.00 0.00 H new ATOM 0 HA SER A 111 0.382 -0.610 -10.343 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.522 -0.265 -7.997 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.023 0.636 -8.113 1.00 0.00 H new ATOM 0 HG SER A 111 -1.414 0.711 -10.482 1.00 0.00 H new ATOM 1413 N ASN A 112 2.114 -1.609 -8.896 1.00 0.00 N ATOM 1414 CA ASN A 112 3.158 -2.275 -8.118 1.00 0.00 C ATOM 1415 C ASN A 112 4.385 -1.379 -7.988 1.00 0.00 C ATOM 1416 O ASN A 112 5.035 -1.045 -8.969 1.00 0.00 O ATOM 1417 CB ASN A 112 3.548 -3.598 -8.781 1.00 0.00 C ATOM 1418 CG ASN A 112 3.756 -4.710 -7.771 1.00 0.00 C ATOM 1419 OD1 ASN A 112 3.238 -4.656 -6.664 1.00 0.00 O ATOM 1420 ND2 ASN A 112 4.519 -5.726 -8.159 1.00 0.00 N ATOM 0 H ASN A 112 2.459 -1.024 -9.657 1.00 0.00 H new ATOM 0 HA ASN A 112 2.766 -2.477 -7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 112 2.770 -3.892 -9.486 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.463 -3.457 -9.356 1.00 0.00 H new ATOM 0 HD21 ASN A 112 4.694 -6.504 -7.523 1.00 0.00 H new ATOM 0 HD22 ASN A 112 4.930 -5.728 -9.092 1.00 0.00 H new ATOM 1427 N TYR A 113 4.694 -0.991 -6.746 1.00 0.00 N ATOM 1428 CA TYR A 113 5.843 -0.131 -6.482 1.00 0.00 C ATOM 1429 C TYR A 113 6.830 -0.810 -5.537 1.00 0.00 C ATOM 1430 O TYR A 113 6.435 -1.423 -4.546 1.00 0.00 O ATOM 1431 CB TYR A 113 5.387 1.204 -5.883 1.00 0.00 C ATOM 1432 CG TYR A 113 4.095 1.729 -6.471 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.817 1.587 -7.825 1.00 0.00 C ATOM 1434 CD2 TYR A 113 3.155 2.365 -5.671 1.00 0.00 C ATOM 1435 CE1 TYR A 113 2.638 2.065 -8.372 1.00 0.00 C ATOM 1436 CE2 TYR A 113 1.973 2.846 -6.203 1.00 0.00 C ATOM 1437 CZ TYR A 113 1.720 2.693 -7.549 1.00 0.00 C ATOM 1438 OH TYR A 113 0.544 3.169 -8.083 1.00 0.00 O ATOM 0 H TYR A 113 4.166 -1.259 -5.916 1.00 0.00 H new ATOM 0 HA TYR A 113 6.345 0.056 -7.432 1.00 0.00 H new ATOM 0 HB2 TYR A 113 5.263 1.085 -4.807 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.171 1.946 -6.034 1.00 0.00 H new ATOM 0 HD1 TYR A 113 4.535 1.094 -8.464 1.00 0.00 H new ATOM 0 HD2 TYR A 113 3.350 2.486 -4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 113 2.438 1.949 -9.427 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.252 3.339 -5.567 1.00 0.00 H new ATOM 0 HH TYR A 113 0.007 3.582 -7.375 1.00 0.00 H new ATOM 1448 N ARG A 114 8.116 -0.692 -5.851 1.00 0.00 N ATOM 1449 CA ARG A 114 9.162 -1.291 -5.030 1.00 0.00 C ATOM 1450 C ARG A 114 9.846 -0.231 -4.171 1.00 0.00 C ATOM 1451 O ARG A 114 10.474 0.690 -4.690 1.00 0.00 O ATOM 1452 CB ARG A 114 10.194 -1.993 -5.914 1.00 0.00 C ATOM 1453 CG ARG A 114 10.705 -3.302 -5.333 1.00 0.00 C ATOM 1454 CD ARG A 114 11.609 -3.064 -4.135 1.00 0.00 C ATOM 1455 NE ARG A 114 11.880 -4.297 -3.408 1.00 0.00 N ATOM 1456 CZ ARG A 114 12.566 -4.345 -2.268 1.00 0.00 C ATOM 1457 NH1 ARG A 114 13.050 -3.233 -1.723 1.00 0.00 N ATOM 1458 NH2 ARG A 114 12.768 -5.508 -1.664 1.00 0.00 N ATOM 0 H ARG A 114 8.459 -0.187 -6.668 1.00 0.00 H new ATOM 0 HA ARG A 114 8.700 -2.027 -4.372 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.751 -2.187 -6.891 1.00 0.00 H new ATOM 0 HB3 ARG A 114 11.038 -1.323 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 114 9.860 -3.923 -5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.251 -3.853 -6.099 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.549 -2.626 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.142 -2.342 -3.465 1.00 0.00 H new ATOM 0 HE ARG A 114 11.525 -5.172 -3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 114 12.897 -2.333 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 114 13.574 -3.280 -0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 114 12.398 -6.366 -2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 114 13.294 -5.545 -0.791 1.00 0.00 H new ATOM 1472 N VAL A 115 9.715 -0.365 -2.855 1.00 0.00 N ATOM 1473 CA VAL A 115 10.317 0.584 -1.927 1.00 0.00 C ATOM 1474 C VAL A 115 11.500 -0.033 -1.189 1.00 0.00 C ATOM 1475 O VAL A 115 11.401 -1.135 -0.649 1.00 0.00 O ATOM 1476 CB VAL A 115 9.292 1.088 -0.895 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.867 2.243 -0.096 1.00 0.00 C ATOM 1478 CG2 VAL A 115 7.999 1.501 -1.583 1.00 0.00 C ATOM 0 H VAL A 115 9.197 -1.122 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 115 10.667 1.425 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 115 9.067 0.274 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.129 2.587 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.764 1.912 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.122 3.061 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.287 1.854 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.205 2.300 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.578 0.645 -2.110 1.00 0.00 H new ATOM 1488 N ARG A 116 12.616 0.688 -1.176 1.00 0.00 N ATOM 1489 CA ARG A 116 13.820 0.216 -0.493 1.00 0.00 C ATOM 1490 C ARG A 116 14.414 1.317 0.366 1.00 0.00 C ATOM 1491 O ARG A 116 14.443 2.484 -0.009 1.00 0.00 O ATOM 1492 CB ARG A 116 14.854 -0.251 -1.528 1.00 0.00 C ATOM 1493 CG ARG A 116 16.157 -0.734 -0.908 1.00 0.00 C ATOM 1494 CD ARG A 116 15.952 -2.003 -0.096 1.00 0.00 C ATOM 1495 NE ARG A 116 16.397 -3.193 -0.810 1.00 0.00 N ATOM 1496 CZ ARG A 116 16.679 -4.354 -0.223 1.00 0.00 C ATOM 1497 NH1 ARG A 116 16.561 -4.488 1.084 1.00 0.00 N ATOM 1498 NH2 ARG A 116 17.078 -5.386 -0.954 1.00 0.00 N ATOM 0 H ARG A 116 12.714 1.597 -1.628 1.00 0.00 H new ATOM 0 HA ARG A 116 13.549 -0.619 0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.423 -1.057 -2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.069 0.570 -2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.889 -0.919 -1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.567 0.047 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.496 -1.922 0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.896 -2.105 0.154 1.00 0.00 H new ATOM 0 HE ARG A 116 16.499 -3.132 -1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 116 16.252 -3.699 1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 116 16.779 -5.381 1.527 1.00 0.00 H new ATOM 0 HH21 ARG A 116 17.169 -5.290 -1.965 1.00 0.00 H new ATOM 0 HH22 ARG A 116 17.294 -6.276 -0.505 1.00 0.00 H new ATOM 1512 N VAL A 117 14.882 0.941 1.560 1.00 0.00 N ATOM 1513 CA VAL A 117 15.469 1.903 2.484 1.00 0.00 C ATOM 1514 C VAL A 117 16.988 1.950 2.338 1.00 0.00 C ATOM 1515 O VAL A 117 17.612 0.986 1.893 1.00 0.00 O ATOM 1516 CB VAL A 117 15.101 1.585 3.939 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.592 1.480 4.099 1.00 0.00 C ATOM 1518 CG2 VAL A 117 15.785 0.308 4.416 1.00 0.00 C ATOM 0 H VAL A 117 14.864 -0.019 1.904 1.00 0.00 H new ATOM 0 HA VAL A 117 15.058 2.880 2.229 1.00 0.00 H new ATOM 0 HB VAL A 117 15.457 2.406 4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.351 1.254 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 117 13.130 2.426 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.213 0.685 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.504 0.110 5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.474 -0.527 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 117 16.866 0.428 4.350 1.00 0.00 H new ATOM 1528 N TYR A 118 17.574 3.078 2.722 1.00 0.00 N ATOM 1529 CA TYR A 118 19.020 3.257 2.641 1.00 0.00 C ATOM 1530 C TYR A 118 19.749 2.265 3.546 1.00 0.00 C ATOM 1531 O TYR A 118 20.251 1.242 3.088 1.00 0.00 O ATOM 1532 CB TYR A 118 19.395 4.691 3.022 1.00 0.00 C ATOM 1533 CG TYR A 118 19.566 5.607 1.833 1.00 0.00 C ATOM 1534 CD1 TYR A 118 18.560 5.736 0.885 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.732 6.340 1.664 1.00 0.00 C ATOM 1536 CE1 TYR A 118 18.710 6.572 -0.190 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.891 7.179 0.569 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.878 7.291 -0.343 1.00 0.00 C ATOM 1539 OH TYR A 118 20.031 8.124 -1.436 1.00 0.00 O ATOM 0 H TYR A 118 17.070 3.884 3.093 1.00 0.00 H new ATOM 0 HA TYR A 118 19.328 3.068 1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.624 5.098 3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.322 4.675 3.595 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.647 5.170 0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 118 21.525 6.257 2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.916 6.668 -0.916 1.00 0.00 H new ATOM 0 HE2 TYR A 118 21.806 7.738 0.439 1.00 0.00 H new ATOM 0 HH TYR A 118 20.908 8.559 -1.396 1.00 0.00 H new ATOM 1549 N GLN A 119 19.810 2.577 4.837 1.00 0.00 N ATOM 1550 CA GLN A 119 20.483 1.715 5.802 1.00 0.00 C ATOM 1551 C GLN A 119 19.518 0.693 6.393 1.00 0.00 C ATOM 1552 O GLN A 119 18.336 0.977 6.592 1.00 0.00 O ATOM 1553 CB GLN A 119 21.100 2.554 6.923 1.00 0.00 C ATOM 1554 CG GLN A 119 22.349 3.310 6.499 1.00 0.00 C ATOM 1555 CD GLN A 119 22.610 4.532 7.359 1.00 0.00 C ATOM 1556 OE1 GLN A 119 22.429 5.666 6.917 1.00 0.00 O ATOM 1557 NE2 GLN A 119 23.039 4.306 8.595 1.00 0.00 N ATOM 0 H GLN A 119 19.401 3.421 5.239 1.00 0.00 H new ATOM 0 HA GLN A 119 21.274 1.178 5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 119 20.358 3.267 7.283 1.00 0.00 H new ATOM 0 HB3 GLN A 119 21.347 1.901 7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 119 23.209 2.642 6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 119 22.248 3.617 5.458 1.00 0.00 H new ATOM 0 HE21 GLN A 119 23.175 3.349 8.920 1.00 0.00 H new ATOM 0 HE22 GLN A 119 23.232 5.089 9.219 1.00 0.00 H new ATOM 1566 N ILE A 120 20.032 -0.499 6.682 1.00 0.00 N ATOM 1567 CA ILE A 120 19.216 -1.565 7.254 1.00 0.00 C ATOM 1568 C ILE A 120 19.679 -1.910 8.669 1.00 0.00 C ATOM 1569 O ILE A 120 20.702 -2.573 8.856 1.00 0.00 O ATOM 1570 CB ILE A 120 19.248 -2.844 6.390 1.00 0.00 C ATOM 1571 CG1 ILE A 120 20.542 -2.911 5.579 1.00 0.00 C ATOM 1572 CG2 ILE A 120 18.035 -2.890 5.471 1.00 0.00 C ATOM 1573 CD1 ILE A 120 20.640 -4.129 4.685 1.00 0.00 C ATOM 0 H ILE A 120 21.009 -0.751 6.530 1.00 0.00 H new ATOM 0 HA ILE A 120 18.193 -1.190 7.284 1.00 0.00 H new ATOM 0 HB ILE A 120 19.215 -3.711 7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 120 20.622 -2.014 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 120 21.390 -2.905 6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 120 18.070 -3.797 4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 120 17.124 -2.888 6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 120 18.041 -2.018 4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 120 21.585 -4.107 4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 120 20.593 -5.032 5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 120 19.813 -4.127 3.975 1.00 0.00 H new ATOM 1585 N PRO A 121 18.935 -1.464 9.698 1.00 0.00 N ATOM 1586 CA PRO A 121 19.283 -1.734 11.097 1.00 0.00 C ATOM 1587 C PRO A 121 19.468 -3.223 11.370 1.00 0.00 C ATOM 1588 O PRO A 121 19.683 -3.586 12.545 1.00 0.00 O ATOM 1589 CB PRO A 121 18.082 -1.194 11.878 1.00 0.00 C ATOM 1590 CG PRO A 121 17.476 -0.170 10.982 1.00 0.00 C ATOM 1591 CD PRO A 121 17.701 -0.665 9.581 1.00 0.00 C ATOM 1592 OXT PRO A 121 19.395 -4.014 10.406 1.00 0.00 O ATOM 0 HA PRO A 121 20.230 -1.272 11.375 1.00 0.00 H new ATOM 0 HB2 PRO A 121 17.371 -1.987 12.110 1.00 0.00 H new ATOM 0 HB3 PRO A 121 18.391 -0.756 12.827 1.00 0.00 H new ATOM 0 HG2 PRO A 121 16.412 -0.051 11.188 1.00 0.00 H new ATOM 0 HG3 PRO A 121 17.941 0.804 11.132 1.00 0.00 H new ATOM 0 HD2 PRO A 121 16.864 -1.267 9.228 1.00 0.00 H new ATOM 0 HD3 PRO A 121 17.820 0.159 8.877 1.00 0.00 H new TER 1600 PRO A 121