USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 938 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 117 SER OG : rot 180:sc= 0.354 USER MOD Set 1.2: A 118 GLN : amide:sc= -1.52 K(o=-1.2,f=1) USER MOD Set 2.1: A 112 ASN : amide:sc= -0.121 K(o=0.67,f=-0.004) USER MOD Set 2.2: A 116 SER OG : rot -13:sc= 0.791 USER MOD Set 3.1: A 75 MET CE :methyl 176:sc= -3.64 (180deg=-2.76) USER MOD Set 3.2: A 110 ASN : amide:sc= -2.04 K(o=-5.7,f=-4.1!) USER MOD Set 4.1: A 63 GLN : amide:sc= -0.992 K(o=-1.1,f=-0.096) USER MOD Set 4.2: A 66 LYS NZ :NH3+ -124:sc= -0.0841 (180deg=0) USER MOD Set 5.1: A 16 HIS : no HE2:sc= -3.08! C(o=-2.8!,f=-20!) USER MOD Set 5.2: A 60 SER OG : rot -161:sc= -0.266 USER MOD Set 5.3: A 90 THR OG1 : rot 113:sc= -1.85! USER MOD Set 5.4: A 92 SER OG : rot -158:sc= 1.3! USER MOD Set 5.5: A 105 THR OG1 : rot 155:sc= 1.16 USER MOD Set 6.1: A 3 MET CE :methyl -154:sc= -1.52 (180deg=0) USER MOD Set 6.2: A 5 ASN : amide:sc= -6.36! C(o=-9.7!,f=-5.1!) USER MOD Set 6.3: A 36 GLN : amide:sc= -1.8! K(o=-9.7!,f=-5.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -131:sc= -2.96! USER MOD Single : A 17 ASN : amide:sc= -4.24 K(o=-4.2,f=-18!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.418 K(o=-0.42,f=-2.2!) USER MOD Single : A 29 CYS SG : rot 71:sc= -3.07 USER MOD Single : A 32 THR OG1 : rot 73:sc= -0.0466 USER MOD Single : A 35 TYR OH : rot 119:sc= 0.278 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -3.85! C(o=-3.9!,f=-6.2!) USER MOD Single : A 49 CYS SG : rot -56:sc= -2.31 USER MOD Single : A 50 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-6.1!) USER MOD Single : A 54 GLN : amide:sc= -2.71! C(o=-2.7!,f=-3.7!) USER MOD Single : A 55 GLN : amide:sc= 0.0107 X(o=0.011,f=-0.078) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -128:sc= -0.0634 (180deg=-0.636) USER MOD Single : A 70 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.54) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 54:sc= -3.41! USER MOD Single : A 81 LYS NZ :NH3+ -166:sc=-0.00512 (180deg=-0.18) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -1.83 X(o=-1.8,f=-1.8) USER MOD Single : A 88 MET CE :methyl -109:sc= -7.92! (180deg=-11.1!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -1.86! K(o=-1.9!,f=-0.048) USER MOD Single : A 94 THR OG1 : rot 31:sc= 0.451! USER MOD Single : A 96 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.064) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 51:sc= 1.19 USER MOD Single : A 109 THR OG1 : rot 124:sc= 0.184 USER MOD Single : A 111 THR OG1 : rot 20:sc= 0.201 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.0165 X(o=-0.017,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.230 -22.531 -1.940 1.00 0.00 N ATOM 2 CA GLY A 1 -8.427 -21.089 -1.629 1.00 0.00 C ATOM 3 C GLY A 1 -7.229 -20.244 -2.014 1.00 0.00 C ATOM 4 O GLY A 1 -6.130 -20.441 -1.495 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.076 -23.066 -1.658 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.071 -22.647 -2.961 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.405 -22.889 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.309 -20.724 -2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.621 -20.974 -0.563 1.00 0.00 H new ATOM 10 N ALA A 2 -7.442 -19.298 -2.924 1.00 0.00 N ATOM 11 CA ALA A 2 -6.372 -18.418 -3.380 1.00 0.00 C ATOM 12 C ALA A 2 -6.789 -16.955 -3.283 1.00 0.00 C ATOM 13 O ALA A 2 -5.949 -16.067 -3.137 1.00 0.00 O ATOM 14 CB ALA A 2 -5.981 -18.762 -4.810 1.00 0.00 C ATOM 0 H ALA A 2 -8.347 -19.121 -3.360 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.509 -18.568 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.181 -18.098 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.636 -19.795 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.845 -18.640 -5.463 1.00 0.00 H new ATOM 20 N MET A 3 -8.093 -16.713 -3.363 1.00 0.00 N ATOM 21 CA MET A 3 -8.628 -15.359 -3.286 1.00 0.00 C ATOM 22 C MET A 3 -9.964 -15.347 -2.549 1.00 0.00 C ATOM 23 O MET A 3 -10.796 -16.235 -2.739 1.00 0.00 O ATOM 24 CB MET A 3 -8.798 -14.779 -4.691 1.00 0.00 C ATOM 25 CG MET A 3 -9.395 -13.381 -4.709 1.00 0.00 C ATOM 26 SD MET A 3 -9.581 -12.732 -6.381 1.00 0.00 S ATOM 27 CE MET A 3 -10.345 -11.147 -6.046 1.00 0.00 C ATOM 0 H MET A 3 -8.800 -17.439 -3.481 1.00 0.00 H new ATOM 0 HA MET A 3 -7.922 -14.742 -2.730 1.00 0.00 H new ATOM 0 HB2 MET A 3 -7.826 -14.756 -5.184 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.435 -15.444 -5.274 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.369 -13.399 -4.219 1.00 0.00 H new ATOM 0 HG3 MET A 3 -8.759 -12.710 -4.131 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.929 -10.834 -6.912 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.000 -11.235 -5.179 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.572 -10.406 -5.843 1.00 0.00 H new ATOM 37 N ASP A 4 -10.165 -14.336 -1.709 1.00 0.00 N ATOM 38 CA ASP A 4 -11.400 -14.211 -0.944 1.00 0.00 C ATOM 39 C ASP A 4 -11.527 -12.819 -0.335 1.00 0.00 C ATOM 40 O ASP A 4 -10.934 -12.531 0.705 1.00 0.00 O ATOM 41 CB ASP A 4 -11.449 -15.268 0.160 1.00 0.00 C ATOM 42 CG ASP A 4 -12.738 -15.215 0.957 1.00 0.00 C ATOM 43 OD1 ASP A 4 -12.813 -14.413 1.912 1.00 0.00 O ATOM 44 OD2 ASP A 4 -13.672 -15.975 0.625 1.00 0.00 O ATOM 0 H ASP A 4 -9.488 -13.592 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.236 -14.366 -1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.340 -16.258 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.603 -15.126 0.833 1.00 0.00 H new ATOM 49 N ASN A 5 -12.307 -11.961 -0.988 1.00 0.00 N ATOM 50 CA ASN A 5 -12.517 -10.597 -0.510 1.00 0.00 C ATOM 51 C ASN A 5 -13.020 -10.599 0.934 1.00 0.00 C ATOM 52 O ASN A 5 -14.117 -11.082 1.218 1.00 0.00 O ATOM 53 CB ASN A 5 -13.512 -9.870 -1.417 1.00 0.00 C ATOM 54 CG ASN A 5 -13.061 -9.831 -2.867 1.00 0.00 C ATOM 55 OD1 ASN A 5 -13.881 -9.874 -3.784 1.00 0.00 O ATOM 56 ND2 ASN A 5 -11.751 -9.745 -3.084 1.00 0.00 N ATOM 0 H ASN A 5 -12.804 -12.186 -1.850 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.563 -10.071 -0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -14.482 -10.364 -1.355 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -13.650 -8.851 -1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.393 -9.712 -4.039 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.105 -9.712 -2.296 1.00 0.00 H new ATOM 63 N VAL A 6 -12.210 -10.055 1.838 1.00 0.00 N ATOM 64 CA VAL A 6 -12.558 -10.003 3.257 1.00 0.00 C ATOM 65 C VAL A 6 -13.692 -9.015 3.524 1.00 0.00 C ATOM 66 O VAL A 6 -13.987 -8.155 2.693 1.00 0.00 O ATOM 67 CB VAL A 6 -11.332 -9.620 4.112 1.00 0.00 C ATOM 68 CG1 VAL A 6 -10.953 -8.162 3.892 1.00 0.00 C ATOM 69 CG2 VAL A 6 -11.593 -9.896 5.586 1.00 0.00 C ATOM 0 H VAL A 6 -11.305 -9.642 1.613 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.895 -11.001 3.538 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.492 -10.239 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.086 -7.915 4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.711 -8.004 2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.790 -7.522 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.715 -9.618 6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.450 -9.311 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.801 -10.957 5.726 1.00 0.00 H new ATOM 79 N CYS A 7 -14.323 -9.145 4.690 1.00 0.00 N ATOM 80 CA CYS A 7 -15.425 -8.268 5.071 1.00 0.00 C ATOM 81 C CYS A 7 -14.978 -6.809 5.124 1.00 0.00 C ATOM 82 O CYS A 7 -15.182 -6.057 4.170 1.00 0.00 O ATOM 83 CB CYS A 7 -15.997 -8.690 6.426 1.00 0.00 C ATOM 84 SG CYS A 7 -16.660 -10.372 6.455 1.00 0.00 S ATOM 0 H CYS A 7 -14.088 -9.851 5.387 1.00 0.00 H new ATOM 0 HA CYS A 7 -16.202 -8.359 4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -15.215 -8.606 7.181 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -16.788 -7.994 6.707 1.00 0.00 H new ATOM 0 HG CYS A 7 -17.118 -10.637 7.642 1.00 0.00 H new ATOM 90 N GLN A 8 -14.368 -6.411 6.242 1.00 0.00 N ATOM 91 CA GLN A 8 -13.901 -5.037 6.399 1.00 0.00 C ATOM 92 C GLN A 8 -12.387 -4.971 6.584 1.00 0.00 C ATOM 93 O GLN A 8 -11.790 -5.788 7.285 1.00 0.00 O ATOM 94 CB GLN A 8 -14.589 -4.348 7.563 1.00 0.00 C ATOM 95 CG GLN A 8 -15.539 -5.252 8.311 1.00 0.00 C ATOM 96 CD GLN A 8 -16.449 -4.497 9.259 1.00 0.00 C ATOM 97 OE1 GLN A 8 -16.118 -4.296 10.428 1.00 0.00 O ATOM 98 NE2 GLN A 8 -17.603 -4.070 8.758 1.00 0.00 N ATOM 0 H GLN A 8 -14.188 -7.016 7.044 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.159 -4.513 5.478 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.833 -3.974 8.254 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.138 -3.482 7.192 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.147 -5.804 7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.965 -5.987 8.875 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.837 -4.259 7.783 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.255 -3.553 9.348 1.00 0.00 H new ATOM 107 N PRO A 9 -11.767 -3.976 5.941 1.00 0.00 N ATOM 108 CA PRO A 9 -10.320 -3.738 5.977 1.00 0.00 C ATOM 109 C PRO A 9 -9.753 -3.358 7.327 1.00 0.00 C ATOM 110 O PRO A 9 -10.316 -3.634 8.385 1.00 0.00 O ATOM 111 CB PRO A 9 -10.143 -2.518 5.088 1.00 0.00 C ATOM 112 CG PRO A 9 -11.337 -2.454 4.241 1.00 0.00 C ATOM 113 CD PRO A 9 -12.447 -3.007 5.078 1.00 0.00 C ATOM 0 HA PRO A 9 -9.810 -4.656 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.040 -1.612 5.686 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.240 -2.605 4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.548 -1.429 3.936 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.204 -3.037 3.330 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.940 -2.227 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.214 -3.482 4.466 1.00 0.00 H new ATOM 121 N THR A 10 -8.602 -2.694 7.218 1.00 0.00 N ATOM 122 CA THR A 10 -7.836 -2.181 8.332 1.00 0.00 C ATOM 123 C THR A 10 -6.443 -1.809 7.832 1.00 0.00 C ATOM 124 O THR A 10 -5.965 -0.693 8.030 1.00 0.00 O ATOM 125 CB THR A 10 -7.721 -3.194 9.488 1.00 0.00 C ATOM 126 OG1 THR A 10 -6.760 -2.741 10.449 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.325 -4.564 8.968 1.00 0.00 C ATOM 0 H THR A 10 -8.170 -2.497 6.315 1.00 0.00 H new ATOM 0 HA THR A 10 -8.356 -1.308 8.727 1.00 0.00 H new ATOM 0 HB THR A 10 -8.696 -3.275 9.968 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.696 -3.391 11.179 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.250 -5.262 9.802 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.079 -4.918 8.265 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.361 -4.497 8.463 1.00 0.00 H new ATOM 135 N GLU A 11 -5.812 -2.776 7.179 1.00 0.00 N ATOM 136 CA GLU A 11 -4.490 -2.620 6.590 1.00 0.00 C ATOM 137 C GLU A 11 -4.205 -3.819 5.715 1.00 0.00 C ATOM 138 O GLU A 11 -4.469 -4.956 6.106 1.00 0.00 O ATOM 139 CB GLU A 11 -3.410 -2.486 7.655 1.00 0.00 C ATOM 140 CG GLU A 11 -3.374 -3.651 8.621 1.00 0.00 C ATOM 141 CD GLU A 11 -2.269 -3.526 9.652 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.433 -2.739 10.607 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.239 -4.218 9.505 1.00 0.00 O ATOM 0 H GLU A 11 -6.211 -3.705 7.042 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.478 -1.705 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.439 -2.396 7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.573 -1.564 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.334 -3.724 9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.240 -4.577 8.062 1.00 0.00 H new ATOM 150 N PHE A 12 -3.671 -3.576 4.536 1.00 0.00 N ATOM 151 CA PHE A 12 -3.372 -4.671 3.632 1.00 0.00 C ATOM 152 C PHE A 12 -1.885 -4.719 3.342 1.00 0.00 C ATOM 153 O PHE A 12 -1.272 -3.721 2.965 1.00 0.00 O ATOM 154 CB PHE A 12 -4.211 -4.589 2.347 1.00 0.00 C ATOM 155 CG PHE A 12 -3.748 -3.593 1.321 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.806 -3.952 0.371 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.279 -2.312 1.283 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.399 -3.053 -0.595 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.878 -1.410 0.316 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.935 -1.784 -0.624 1.00 0.00 C ATOM 0 H PHE A 12 -3.438 -2.648 4.184 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.648 -5.606 4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.229 -5.576 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.238 -4.347 2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.385 -4.946 0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.014 -2.016 2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.661 -3.344 -1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.300 -0.416 0.294 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.619 -1.081 -1.381 1.00 0.00 H new ATOM 170 N ILE A 13 -1.311 -5.894 3.539 1.00 0.00 N ATOM 171 CA ILE A 13 0.110 -6.091 3.337 1.00 0.00 C ATOM 172 C ILE A 13 0.447 -6.321 1.877 1.00 0.00 C ATOM 173 O ILE A 13 0.172 -7.383 1.327 1.00 0.00 O ATOM 174 CB ILE A 13 0.625 -7.284 4.156 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.217 -7.142 5.622 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.133 -7.389 4.022 1.00 0.00 C ATOM 177 CD1 ILE A 13 -0.090 -8.464 6.291 1.00 0.00 C ATOM 0 H ILE A 13 -1.813 -6.729 3.840 1.00 0.00 H new ATOM 0 HA ILE A 13 0.599 -5.176 3.672 1.00 0.00 H new ATOM 0 HB ILE A 13 0.177 -8.200 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.019 -6.644 6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.660 -6.498 5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.492 -8.237 4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.396 -7.532 2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.596 -6.473 4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.372 -8.289 7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.912 -8.954 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.793 -9.102 6.258 1.00 0.00 H new ATOM 189 N SER A 14 1.043 -5.319 1.252 1.00 0.00 N ATOM 190 CA SER A 14 1.441 -5.432 -0.138 1.00 0.00 C ATOM 191 C SER A 14 2.942 -5.296 -0.251 1.00 0.00 C ATOM 192 O SER A 14 3.532 -4.331 0.236 1.00 0.00 O ATOM 193 CB SER A 14 0.756 -4.361 -0.984 1.00 0.00 C ATOM 194 OG SER A 14 0.546 -4.817 -2.305 1.00 0.00 O ATOM 0 H SER A 14 1.261 -4.421 1.685 1.00 0.00 H new ATOM 0 HA SER A 14 1.137 -6.411 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.199 -4.091 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.367 -3.459 -1.000 1.00 0.00 H new ATOM 0 HG SER A 14 0.864 -4.141 -2.939 1.00 0.00 H new ATOM 200 N ARG A 15 3.553 -6.268 -0.897 1.00 0.00 N ATOM 201 CA ARG A 15 4.980 -6.259 -1.099 1.00 0.00 C ATOM 202 C ARG A 15 5.270 -5.652 -2.449 1.00 0.00 C ATOM 203 O ARG A 15 4.390 -5.609 -3.305 1.00 0.00 O ATOM 204 CB ARG A 15 5.548 -7.669 -1.000 1.00 0.00 C ATOM 205 CG ARG A 15 5.687 -8.158 0.430 1.00 0.00 C ATOM 206 CD ARG A 15 6.228 -9.578 0.492 1.00 0.00 C ATOM 207 NE ARG A 15 5.269 -10.552 -0.022 1.00 0.00 N ATOM 208 CZ ARG A 15 5.031 -11.727 0.555 1.00 0.00 C ATOM 209 NH1 ARG A 15 5.678 -12.072 1.660 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.144 -12.559 0.026 1.00 0.00 N ATOM 0 H ARG A 15 3.076 -7.078 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 15 5.459 -5.663 -0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.902 -8.353 -1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.525 -7.695 -1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.352 -7.491 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.716 -8.117 0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.151 -9.640 -0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.479 -9.826 1.523 1.00 0.00 H new ATOM 0 HE ARG A 15 4.753 -10.319 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.361 -11.436 2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.492 -12.974 2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.644 -12.298 -0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.962 -13.460 0.469 1.00 0.00 H new ATOM 224 N HIS A 16 6.484 -5.174 -2.642 1.00 0.00 N ATOM 225 CA HIS A 16 6.838 -4.548 -3.901 1.00 0.00 C ATOM 226 C HIS A 16 8.331 -4.274 -3.979 1.00 0.00 C ATOM 227 O HIS A 16 9.070 -4.523 -3.028 1.00 0.00 O ATOM 228 CB HIS A 16 6.078 -3.231 -4.028 1.00 0.00 C ATOM 229 CG HIS A 16 6.376 -2.288 -2.911 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.645 -1.823 -2.653 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.575 -1.737 -1.967 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.619 -1.031 -1.605 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.374 -0.959 -1.170 1.00 0.00 N ATOM 0 H HIS A 16 7.234 -5.206 -1.952 1.00 0.00 H new ATOM 0 HA HIS A 16 6.572 -5.225 -4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.334 -2.758 -4.976 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.007 -3.434 -4.052 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.478 -2.057 -3.193 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.510 -1.883 -1.863 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.470 -0.525 -1.173 1.00 0.00 H new ATOM 242 N ASN A 17 8.766 -3.756 -5.119 1.00 0.00 N ATOM 243 CA ASN A 17 10.165 -3.410 -5.308 1.00 0.00 C ATOM 244 C ASN A 17 10.378 -1.966 -4.877 1.00 0.00 C ATOM 245 O ASN A 17 9.422 -1.285 -4.514 1.00 0.00 O ATOM 246 CB ASN A 17 10.587 -3.599 -6.767 1.00 0.00 C ATOM 247 CG ASN A 17 9.703 -2.837 -7.736 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.009 -1.896 -7.353 1.00 0.00 O ATOM 249 ND2 ASN A 17 9.738 -3.232 -9.002 1.00 0.00 N ATOM 0 H ASN A 17 8.170 -3.567 -5.925 1.00 0.00 H new ATOM 0 HA ASN A 17 10.781 -4.072 -4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.619 -3.270 -6.888 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.560 -4.660 -7.014 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.175 -2.750 -9.702 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.328 -4.018 -9.275 1.00 0.00 H new ATOM 256 N ILE A 18 11.613 -1.492 -4.911 1.00 0.00 N ATOM 257 CA ILE A 18 11.889 -0.120 -4.507 1.00 0.00 C ATOM 258 C ILE A 18 10.975 0.859 -5.242 1.00 0.00 C ATOM 259 O ILE A 18 10.514 1.846 -4.666 1.00 0.00 O ATOM 260 CB ILE A 18 13.348 0.273 -4.771 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.612 1.681 -4.235 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.652 0.184 -6.257 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.430 1.803 -2.739 1.00 0.00 C ATOM 0 H ILE A 18 12.430 -2.026 -5.209 1.00 0.00 H new ATOM 0 HA ILE A 18 11.701 -0.068 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 18 14.009 -0.420 -4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.629 1.975 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.942 2.382 -4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.690 0.465 -6.433 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.489 -0.837 -6.601 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.995 0.860 -6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.634 2.828 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.405 1.541 -2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.119 1.128 -2.232 1.00 0.00 H new ATOM 275 N GLU A 19 10.715 0.574 -6.516 1.00 0.00 N ATOM 276 CA GLU A 19 9.848 1.423 -7.334 1.00 0.00 C ATOM 277 C GLU A 19 8.475 1.517 -6.704 1.00 0.00 C ATOM 278 O GLU A 19 7.803 2.547 -6.774 1.00 0.00 O ATOM 279 CB GLU A 19 9.675 0.840 -8.740 1.00 0.00 C ATOM 280 CG GLU A 19 10.865 1.019 -9.659 1.00 0.00 C ATOM 281 CD GLU A 19 11.333 2.459 -9.745 1.00 0.00 C ATOM 282 OE1 GLU A 19 10.818 3.201 -10.607 1.00 0.00 O ATOM 283 OE2 GLU A 19 12.217 2.843 -8.950 1.00 0.00 O ATOM 0 H GLU A 19 11.092 -0.238 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 19 10.316 2.406 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.461 -0.225 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.804 1.303 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.687 0.396 -9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.603 0.667 -10.657 1.00 0.00 H new ATOM 290 N GLY A 20 8.079 0.423 -6.080 1.00 0.00 N ATOM 291 CA GLY A 20 6.780 0.347 -5.458 1.00 0.00 C ATOM 292 C GLY A 20 5.910 -0.685 -6.141 1.00 0.00 C ATOM 293 O GLY A 20 4.815 -0.996 -5.671 1.00 0.00 O ATOM 0 H GLY A 20 8.642 -0.423 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.892 0.093 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.295 1.322 -5.501 1.00 0.00 H new ATOM 297 N ILE A 21 6.403 -1.213 -7.264 1.00 0.00 N ATOM 298 CA ILE A 21 5.686 -2.222 -8.017 1.00 0.00 C ATOM 299 C ILE A 21 5.354 -3.406 -7.134 1.00 0.00 C ATOM 300 O ILE A 21 6.240 -4.138 -6.699 1.00 0.00 O ATOM 301 CB ILE A 21 6.505 -2.722 -9.200 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.138 -1.539 -9.947 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.611 -3.565 -10.094 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.167 -0.707 -10.753 1.00 0.00 C ATOM 0 H ILE A 21 7.303 -0.950 -7.667 1.00 0.00 H new ATOM 0 HA ILE A 21 4.771 -1.756 -8.384 1.00 0.00 H new ATOM 0 HB ILE A 21 7.328 -3.349 -8.856 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.634 -0.893 -9.222 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.910 -1.920 -10.615 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.187 -3.929 -10.945 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.226 -4.413 -9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.779 -2.959 -10.452 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.704 0.104 -11.245 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.688 -1.334 -11.505 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.408 -0.291 -10.091 1.00 0.00 H new ATOM 316 N PHE A 22 4.072 -3.614 -6.925 1.00 0.00 N ATOM 317 CA PHE A 22 3.594 -4.671 -6.058 1.00 0.00 C ATOM 318 C PHE A 22 4.007 -6.065 -6.509 1.00 0.00 C ATOM 319 O PHE A 22 3.510 -6.587 -7.503 1.00 0.00 O ATOM 320 CB PHE A 22 2.082 -4.593 -5.972 1.00 0.00 C ATOM 321 CG PHE A 22 1.579 -3.452 -5.127 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.215 -3.093 -3.945 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.462 -2.743 -5.516 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.735 -2.043 -3.180 1.00 0.00 C ATOM 325 CE2 PHE A 22 -0.021 -1.702 -4.758 1.00 0.00 C ATOM 326 CZ PHE A 22 0.614 -1.351 -3.591 1.00 0.00 C ATOM 0 H PHE A 22 3.332 -3.056 -7.351 1.00 0.00 H new ATOM 0 HA PHE A 22 4.054 -4.515 -5.083 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.675 -4.495 -6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.702 -5.530 -5.564 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.090 -3.637 -3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.043 -3.010 -6.433 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.237 -1.767 -2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.899 -1.161 -5.080 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.236 -0.533 -2.995 1.00 0.00 H new ATOM 336 N THR A 23 4.920 -6.663 -5.759 1.00 0.00 N ATOM 337 CA THR A 23 5.363 -8.016 -6.028 1.00 0.00 C ATOM 338 C THR A 23 4.429 -8.977 -5.300 1.00 0.00 C ATOM 339 O THR A 23 4.534 -10.198 -5.418 1.00 0.00 O ATOM 340 CB THR A 23 6.814 -8.228 -5.568 1.00 0.00 C ATOM 341 OG1 THR A 23 6.924 -8.004 -4.157 1.00 0.00 O ATOM 342 CG2 THR A 23 7.739 -7.280 -6.316 1.00 0.00 C ATOM 0 H THR A 23 5.369 -6.226 -4.954 1.00 0.00 H new ATOM 0 HA THR A 23 5.334 -8.201 -7.102 1.00 0.00 H new ATOM 0 HB THR A 23 7.104 -9.256 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.852 -8.144 -3.875 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.766 -7.436 -5.984 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.670 -7.473 -7.386 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.445 -6.250 -6.114 1.00 0.00 H new ATOM 350 N PHE A 24 3.509 -8.376 -4.543 1.00 0.00 N ATOM 351 CA PHE A 24 2.501 -9.092 -3.775 1.00 0.00 C ATOM 352 C PHE A 24 1.517 -8.093 -3.178 1.00 0.00 C ATOM 353 O PHE A 24 1.867 -6.946 -2.920 1.00 0.00 O ATOM 354 CB PHE A 24 3.133 -9.925 -2.654 1.00 0.00 C ATOM 355 CG PHE A 24 2.139 -10.393 -1.620 1.00 0.00 C ATOM 356 CD1 PHE A 24 1.460 -11.590 -1.783 1.00 0.00 C ATOM 357 CD2 PHE A 24 1.869 -9.624 -0.494 1.00 0.00 C ATOM 358 CE1 PHE A 24 0.535 -12.013 -0.844 1.00 0.00 C ATOM 359 CE2 PHE A 24 0.943 -10.042 0.443 1.00 0.00 C ATOM 360 CZ PHE A 24 0.276 -11.235 0.270 1.00 0.00 C ATOM 0 H PHE A 24 3.446 -7.362 -4.448 1.00 0.00 H new ATOM 0 HA PHE A 24 1.982 -9.775 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.627 -10.793 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.905 -9.333 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.655 -12.200 -2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.389 -8.689 -0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.016 -12.950 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.742 -9.433 1.312 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.447 -11.562 1.002 1.00 0.00 H new ATOM 370 N VAL A 25 0.283 -8.528 -2.990 1.00 0.00 N ATOM 371 CA VAL A 25 -0.753 -7.691 -2.402 1.00 0.00 C ATOM 372 C VAL A 25 -1.713 -8.553 -1.608 1.00 0.00 C ATOM 373 O VAL A 25 -2.250 -9.539 -2.108 1.00 0.00 O ATOM 374 CB VAL A 25 -1.547 -6.881 -3.456 1.00 0.00 C ATOM 375 CG1 VAL A 25 -2.273 -5.723 -2.800 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.644 -6.376 -4.564 1.00 0.00 C ATOM 0 H VAL A 25 -0.030 -9.466 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.250 -6.973 -1.754 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.282 -7.551 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.826 -5.165 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.967 -6.106 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.549 -5.065 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.234 -5.812 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.125 -5.730 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.172 -7.222 -5.063 1.00 0.00 H new ATOM 386 N ASP A 26 -1.896 -8.187 -0.357 1.00 0.00 N ATOM 387 CA ASP A 26 -2.784 -8.911 0.530 1.00 0.00 C ATOM 388 C ASP A 26 -4.240 -8.684 0.110 1.00 0.00 C ATOM 389 O ASP A 26 -4.640 -7.560 -0.186 1.00 0.00 O ATOM 390 CB ASP A 26 -2.512 -8.465 1.963 1.00 0.00 C ATOM 391 CG ASP A 26 -3.668 -8.739 2.904 1.00 0.00 C ATOM 392 OD1 ASP A 26 -4.230 -9.852 2.846 1.00 0.00 O ATOM 393 OD2 ASP A 26 -4.009 -7.840 3.701 1.00 0.00 O ATOM 0 H ASP A 26 -1.437 -7.384 0.073 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.602 -9.984 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.623 -8.975 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.293 -7.397 1.969 1.00 0.00 H new ATOM 398 N HIS A 27 -5.015 -9.769 0.077 1.00 0.00 N ATOM 399 CA HIS A 27 -6.419 -9.734 -0.355 1.00 0.00 C ATOM 400 C HIS A 27 -7.257 -8.666 0.351 1.00 0.00 C ATOM 401 O HIS A 27 -8.373 -8.382 -0.077 1.00 0.00 O ATOM 402 CB HIS A 27 -7.058 -11.108 -0.168 1.00 0.00 C ATOM 403 CG HIS A 27 -7.350 -11.448 1.262 1.00 0.00 C ATOM 404 ND1 HIS A 27 -8.628 -11.486 1.780 1.00 0.00 N ATOM 405 CD2 HIS A 27 -6.524 -11.775 2.283 1.00 0.00 C ATOM 406 CE1 HIS A 27 -8.574 -11.819 3.057 1.00 0.00 C ATOM 407 NE2 HIS A 27 -7.309 -12.000 3.386 1.00 0.00 N ATOM 0 H HIS A 27 -4.691 -10.697 0.348 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.406 -9.463 -1.411 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.986 -11.148 -0.738 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.395 -11.867 -0.584 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.482 -11.288 1.258 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.447 -11.846 2.238 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.421 -11.925 3.719 1.00 0.00 H new ATOM 416 N ARG A 28 -6.746 -8.087 1.427 1.00 0.00 N ATOM 417 CA ARG A 28 -7.489 -7.046 2.132 1.00 0.00 C ATOM 418 C ARG A 28 -7.599 -5.799 1.262 1.00 0.00 C ATOM 419 O ARG A 28 -8.516 -4.993 1.414 1.00 0.00 O ATOM 420 CB ARG A 28 -6.817 -6.698 3.460 1.00 0.00 C ATOM 421 CG ARG A 28 -7.097 -7.703 4.564 1.00 0.00 C ATOM 422 CD ARG A 28 -7.355 -7.010 5.892 1.00 0.00 C ATOM 423 NE ARG A 28 -7.532 -7.964 6.982 1.00 0.00 N ATOM 424 CZ ARG A 28 -8.446 -7.833 7.939 1.00 0.00 C ATOM 425 NH1 ARG A 28 -9.272 -6.795 7.936 1.00 0.00 N ATOM 426 NH2 ARG A 28 -8.538 -8.743 8.899 1.00 0.00 N ATOM 0 H ARG A 28 -5.836 -8.313 1.828 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.489 -7.426 2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.740 -6.630 3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.155 -5.713 3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.961 -8.310 4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.250 -8.381 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.521 -6.347 6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.245 -6.386 5.808 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.919 -8.779 7.012 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.207 -6.094 7.198 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.972 -6.698 8.672 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.907 -9.545 8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.239 -8.641 9.633 1.00 0.00 H new ATOM 440 N CYS A 29 -6.643 -5.660 0.351 1.00 0.00 N ATOM 441 CA CYS A 29 -6.566 -4.529 -0.557 1.00 0.00 C ATOM 442 C CYS A 29 -7.870 -4.260 -1.310 1.00 0.00 C ATOM 443 O CYS A 29 -8.120 -3.131 -1.716 1.00 0.00 O ATOM 444 CB CYS A 29 -5.448 -4.776 -1.559 1.00 0.00 C ATOM 445 SG CYS A 29 -5.724 -6.208 -2.621 1.00 0.00 S ATOM 0 H CYS A 29 -5.892 -6.339 0.223 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.369 -3.645 0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.330 -3.890 -2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.512 -4.912 -1.018 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.675 -5.944 -3.467 1.00 0.00 H new ATOM 451 N VAL A 30 -8.695 -5.276 -1.526 1.00 0.00 N ATOM 452 CA VAL A 30 -9.945 -5.057 -2.249 1.00 0.00 C ATOM 453 C VAL A 30 -10.970 -4.387 -1.341 1.00 0.00 C ATOM 454 O VAL A 30 -11.842 -3.657 -1.798 1.00 0.00 O ATOM 455 CB VAL A 30 -10.521 -6.358 -2.853 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.546 -7.510 -2.696 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.861 -6.698 -2.234 1.00 0.00 C ATOM 0 H VAL A 30 -8.531 -6.236 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.719 -4.397 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.675 -6.190 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.977 -8.413 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.614 -7.270 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.346 -7.676 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.244 -7.618 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.741 -6.835 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.564 -5.886 -2.420 1.00 0.00 H new ATOM 467 N ALA A 31 -10.890 -4.671 -0.053 1.00 0.00 N ATOM 468 CA ALA A 31 -11.786 -4.049 0.904 1.00 0.00 C ATOM 469 C ALA A 31 -11.271 -2.662 1.236 1.00 0.00 C ATOM 470 O ALA A 31 -12.034 -1.720 1.448 1.00 0.00 O ATOM 471 CB ALA A 31 -11.881 -4.880 2.175 1.00 0.00 C ATOM 0 H ALA A 31 -10.219 -5.324 0.352 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.781 -3.982 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.558 -4.394 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.260 -5.873 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.893 -4.969 2.626 1.00 0.00 H new ATOM 477 N THR A 32 -9.949 -2.565 1.259 1.00 0.00 N ATOM 478 CA THR A 32 -9.249 -1.338 1.611 1.00 0.00 C ATOM 479 C THR A 32 -9.268 -0.307 0.493 1.00 0.00 C ATOM 480 O THR A 32 -9.759 0.807 0.671 1.00 0.00 O ATOM 481 CB THR A 32 -7.787 -1.665 1.931 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.714 -2.742 2.874 1.00 0.00 O ATOM 483 CG2 THR A 32 -7.065 -0.457 2.483 1.00 0.00 C ATOM 0 H THR A 32 -9.328 -3.342 1.032 1.00 0.00 H new ATOM 0 HA THR A 32 -9.766 -0.914 2.472 1.00 0.00 H new ATOM 0 HB THR A 32 -7.301 -1.963 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.953 -3.582 2.430 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.030 -0.720 2.701 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.088 0.348 1.748 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.556 -0.127 3.399 1.00 0.00 H new ATOM 491 N VAL A 33 -8.730 -0.683 -0.658 1.00 0.00 N ATOM 492 CA VAL A 33 -8.664 0.215 -1.793 1.00 0.00 C ATOM 493 C VAL A 33 -9.498 -0.285 -2.960 1.00 0.00 C ATOM 494 O VAL A 33 -9.389 0.224 -4.070 1.00 0.00 O ATOM 495 CB VAL A 33 -7.210 0.429 -2.237 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.426 1.079 -1.114 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.572 -0.887 -2.632 1.00 0.00 C ATOM 0 H VAL A 33 -8.333 -1.607 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.080 1.169 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.200 1.085 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.394 1.230 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.874 2.041 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.445 0.434 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.542 -0.713 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.584 -1.567 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.131 -1.329 -3.457 1.00 0.00 H new ATOM 507 N GLY A 34 -10.309 -1.303 -2.710 1.00 0.00 N ATOM 508 CA GLY A 34 -11.174 -1.830 -3.761 1.00 0.00 C ATOM 509 C GLY A 34 -10.432 -2.670 -4.776 1.00 0.00 C ATOM 510 O GLY A 34 -10.994 -3.596 -5.360 1.00 0.00 O ATOM 0 H GLY A 34 -10.388 -1.774 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.962 -2.431 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.661 -1.000 -4.272 1.00 0.00 H new ATOM 514 N TYR A 35 -9.169 -2.342 -4.983 1.00 0.00 N ATOM 515 CA TYR A 35 -8.338 -3.049 -5.939 1.00 0.00 C ATOM 516 C TYR A 35 -7.948 -4.429 -5.443 1.00 0.00 C ATOM 517 O TYR A 35 -7.271 -4.560 -4.423 1.00 0.00 O ATOM 518 CB TYR A 35 -7.086 -2.239 -6.210 1.00 0.00 C ATOM 519 CG TYR A 35 -7.385 -0.933 -6.877 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.073 -0.894 -8.080 1.00 0.00 C ATOM 521 CD2 TYR A 35 -6.989 0.258 -6.305 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.358 0.298 -8.693 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.263 1.461 -6.912 1.00 0.00 C ATOM 524 CZ TYR A 35 -7.950 1.480 -8.110 1.00 0.00 C ATOM 525 OH TYR A 35 -8.228 2.679 -8.724 1.00 0.00 O ATOM 0 H TYR A 35 -8.693 -1.582 -4.496 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.916 -3.176 -6.854 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.566 -2.053 -5.270 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.410 -2.819 -6.839 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.389 -1.818 -8.541 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.456 0.245 -5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.899 0.312 -9.628 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.943 2.386 -6.455 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.791 3.225 -8.136 1.00 0.00 H new ATOM 535 N GLN A 36 -8.379 -5.456 -6.162 1.00 0.00 N ATOM 536 CA GLN A 36 -8.035 -6.817 -5.810 1.00 0.00 C ATOM 537 C GLN A 36 -6.515 -6.942 -5.793 1.00 0.00 C ATOM 538 O GLN A 36 -5.831 -6.130 -6.414 1.00 0.00 O ATOM 539 CB GLN A 36 -8.643 -7.786 -6.827 1.00 0.00 C ATOM 540 CG GLN A 36 -10.140 -7.600 -7.020 1.00 0.00 C ATOM 541 CD GLN A 36 -10.702 -8.468 -8.131 1.00 0.00 C ATOM 542 OE1 GLN A 36 -11.856 -8.894 -8.076 1.00 0.00 O ATOM 543 NE2 GLN A 36 -9.891 -8.732 -9.148 1.00 0.00 N ATOM 0 H GLN A 36 -8.967 -5.368 -6.991 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.432 -7.064 -4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.142 -7.656 -7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.450 -8.809 -6.503 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.654 -7.834 -6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.346 -6.553 -7.244 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.942 -8.359 -9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.217 -9.308 -9.924 1.00 0.00 H new ATOM 552 N PRO A 37 -5.947 -7.922 -5.076 1.00 0.00 N ATOM 553 CA PRO A 37 -4.505 -8.076 -5.025 1.00 0.00 C ATOM 554 C PRO A 37 -3.886 -8.029 -6.411 1.00 0.00 C ATOM 555 O PRO A 37 -2.823 -7.450 -6.596 1.00 0.00 O ATOM 556 CB PRO A 37 -4.284 -9.436 -4.386 1.00 0.00 C ATOM 557 CG PRO A 37 -5.569 -9.837 -3.755 1.00 0.00 C ATOM 558 CD PRO A 37 -6.651 -8.921 -4.263 1.00 0.00 C ATOM 0 HA PRO A 37 -4.036 -7.268 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.977 -10.168 -5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.488 -9.387 -3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.804 -10.873 -3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.495 -9.772 -2.669 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.385 -9.467 -4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.191 -8.452 -3.440 1.00 0.00 H new ATOM 566 N GLN A 38 -4.556 -8.644 -7.382 1.00 0.00 N ATOM 567 CA GLN A 38 -4.073 -8.640 -8.757 1.00 0.00 C ATOM 568 C GLN A 38 -4.223 -7.249 -9.358 1.00 0.00 C ATOM 569 O GLN A 38 -3.429 -6.826 -10.198 1.00 0.00 O ATOM 570 CB GLN A 38 -4.833 -9.656 -9.601 1.00 0.00 C ATOM 571 CG GLN A 38 -6.331 -9.532 -9.454 1.00 0.00 C ATOM 572 CD GLN A 38 -7.085 -10.673 -10.109 1.00 0.00 C ATOM 573 OE1 GLN A 38 -7.335 -11.706 -9.486 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.456 -10.489 -11.371 1.00 0.00 N ATOM 0 H GLN A 38 -5.431 -9.149 -7.242 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.019 -8.917 -8.751 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.563 -9.526 -10.649 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.526 -10.662 -9.315 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.585 -9.496 -8.395 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.657 -8.589 -9.892 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.227 -9.617 -11.848 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.970 -11.220 -11.863 1.00 0.00 H new ATOM 583 N GLU A 39 -5.259 -6.546 -8.909 1.00 0.00 N ATOM 584 CA GLU A 39 -5.544 -5.195 -9.365 1.00 0.00 C ATOM 585 C GLU A 39 -4.451 -4.239 -8.901 1.00 0.00 C ATOM 586 O GLU A 39 -4.414 -3.074 -9.298 1.00 0.00 O ATOM 587 CB GLU A 39 -6.899 -4.754 -8.809 1.00 0.00 C ATOM 588 CG GLU A 39 -7.937 -4.456 -9.874 1.00 0.00 C ATOM 589 CD GLU A 39 -9.345 -4.786 -9.423 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.830 -4.144 -8.470 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.964 -5.690 -10.023 1.00 0.00 O ATOM 0 H GLU A 39 -5.922 -6.899 -8.219 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.574 -5.180 -10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.282 -5.535 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.756 -3.864 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.883 -3.401 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.704 -5.027 -10.773 1.00 0.00 H new ATOM 598 N LEU A 40 -3.564 -4.749 -8.052 1.00 0.00 N ATOM 599 CA LEU A 40 -2.462 -3.967 -7.514 1.00 0.00 C ATOM 600 C LEU A 40 -1.128 -4.560 -7.949 1.00 0.00 C ATOM 601 O LEU A 40 -0.179 -3.842 -8.250 1.00 0.00 O ATOM 602 CB LEU A 40 -2.539 -3.956 -5.988 1.00 0.00 C ATOM 603 CG LEU A 40 -3.193 -2.740 -5.319 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.632 -1.684 -6.325 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.367 -3.208 -4.484 1.00 0.00 C ATOM 0 H LEU A 40 -3.591 -5.713 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.537 -2.948 -7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.083 -4.846 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.525 -4.048 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.448 -2.263 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.088 -0.846 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.765 -1.332 -6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.357 -2.117 -7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.838 -2.350 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.093 -3.709 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.017 -3.903 -3.721 1.00 0.00 H new ATOM 617 N LEU A 41 -1.079 -5.884 -7.983 1.00 0.00 N ATOM 618 CA LEU A 41 0.122 -6.616 -8.359 1.00 0.00 C ATOM 619 C LEU A 41 0.676 -6.138 -9.694 1.00 0.00 C ATOM 620 O LEU A 41 -0.049 -6.033 -10.683 1.00 0.00 O ATOM 621 CB LEU A 41 -0.187 -8.115 -8.416 1.00 0.00 C ATOM 622 CG LEU A 41 -0.063 -8.852 -7.080 1.00 0.00 C ATOM 623 CD1 LEU A 41 -1.084 -9.976 -6.979 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.349 -9.393 -6.903 1.00 0.00 C ATOM 0 H LEU A 41 -1.872 -6.482 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 41 0.885 -6.429 -7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.201 -8.248 -8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.485 -8.582 -9.135 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.267 -8.141 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.974 -10.483 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.089 -9.562 -7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.921 -10.689 -7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.422 -9.914 -5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.578 -10.085 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.060 -8.567 -6.920 1.00 0.00 H new ATOM 636 N GLY A 42 1.972 -5.852 -9.702 1.00 0.00 N ATOM 637 CA GLY A 42 2.628 -5.385 -10.905 1.00 0.00 C ATOM 638 C GLY A 42 2.458 -3.897 -11.108 1.00 0.00 C ATOM 639 O GLY A 42 3.024 -3.318 -12.037 1.00 0.00 O ATOM 0 H GLY A 42 2.583 -5.937 -8.890 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.690 -5.624 -10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.223 -5.916 -11.767 1.00 0.00 H new ATOM 643 N LYS A 43 1.674 -3.275 -10.236 1.00 0.00 N ATOM 644 CA LYS A 43 1.425 -1.846 -10.317 1.00 0.00 C ATOM 645 C LYS A 43 2.243 -1.090 -9.294 1.00 0.00 C ATOM 646 O LYS A 43 2.413 -1.535 -8.159 1.00 0.00 O ATOM 647 CB LYS A 43 -0.049 -1.538 -10.077 1.00 0.00 C ATOM 648 CG LYS A 43 -0.983 -2.397 -10.889 1.00 0.00 C ATOM 649 CD LYS A 43 -2.247 -1.649 -11.268 1.00 0.00 C ATOM 650 CE LYS A 43 -2.802 -2.127 -12.599 1.00 0.00 C ATOM 651 NZ LYS A 43 -3.961 -1.307 -13.045 1.00 0.00 N ATOM 0 H LYS A 43 1.200 -3.742 -9.463 1.00 0.00 H new ATOM 0 HA LYS A 43 1.712 -1.528 -11.320 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.272 -1.673 -9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.236 -0.490 -10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.475 -2.734 -11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.245 -3.289 -10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.998 -1.785 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.036 -0.581 -11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.017 -2.087 -13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.108 -3.170 -12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.310 -1.666 -13.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.720 -1.365 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.664 -0.316 -13.154 1.00 0.00 H new ATOM 665 N ASN A 44 2.742 0.059 -9.704 1.00 0.00 N ATOM 666 CA ASN A 44 3.517 0.902 -8.815 1.00 0.00 C ATOM 667 C ASN A 44 2.593 1.472 -7.750 1.00 0.00 C ATOM 668 O ASN A 44 1.652 2.200 -8.053 1.00 0.00 O ATOM 669 CB ASN A 44 4.187 2.031 -9.603 1.00 0.00 C ATOM 670 CG ASN A 44 5.330 2.674 -8.855 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.125 3.550 -8.019 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.542 2.253 -9.173 1.00 0.00 N ATOM 0 H ASN A 44 2.625 0.430 -10.647 1.00 0.00 H new ATOM 0 HA ASN A 44 4.300 0.312 -8.340 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.556 1.637 -10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.443 2.791 -9.842 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.359 2.659 -8.717 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.660 1.522 -9.875 1.00 0.00 H new ATOM 679 N ILE A 45 2.852 1.104 -6.506 1.00 0.00 N ATOM 680 CA ILE A 45 2.054 1.558 -5.383 1.00 0.00 C ATOM 681 C ILE A 45 1.834 3.069 -5.415 1.00 0.00 C ATOM 682 O ILE A 45 0.731 3.548 -5.150 1.00 0.00 O ATOM 683 CB ILE A 45 2.738 1.171 -4.066 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.888 1.576 -2.870 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.102 1.811 -3.995 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.499 1.199 -1.536 1.00 0.00 C ATOM 0 H ILE A 45 3.620 0.484 -6.248 1.00 0.00 H new ATOM 0 HA ILE A 45 1.080 1.073 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 45 2.853 0.088 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.730 2.654 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.908 1.108 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.585 1.534 -3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.709 1.467 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.998 2.895 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.838 1.519 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.632 0.118 -1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.467 1.689 -1.428 1.00 0.00 H new ATOM 698 N VAL A 46 2.882 3.814 -5.752 1.00 0.00 N ATOM 699 CA VAL A 46 2.790 5.266 -5.796 1.00 0.00 C ATOM 700 C VAL A 46 1.926 5.734 -6.964 1.00 0.00 C ATOM 701 O VAL A 46 1.343 6.815 -6.908 1.00 0.00 O ATOM 702 CB VAL A 46 4.171 5.961 -5.817 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.266 5.002 -5.389 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.472 6.586 -7.172 1.00 0.00 C ATOM 0 H VAL A 46 3.798 3.438 -5.997 1.00 0.00 H new ATOM 0 HA VAL A 46 2.305 5.566 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 46 4.139 6.777 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.228 5.514 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.066 4.650 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.292 4.152 -6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.451 7.064 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.469 5.811 -7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.712 7.331 -7.406 1.00 0.00 H new ATOM 714 N GLU A 47 1.870 4.944 -8.040 1.00 0.00 N ATOM 715 CA GLU A 47 1.041 5.302 -9.187 1.00 0.00 C ATOM 716 C GLU A 47 -0.378 5.607 -8.721 1.00 0.00 C ATOM 717 O GLU A 47 -1.092 6.398 -9.337 1.00 0.00 O ATOM 718 CB GLU A 47 1.020 4.184 -10.231 1.00 0.00 C ATOM 719 CG GLU A 47 2.083 4.332 -11.307 1.00 0.00 C ATOM 720 CD GLU A 47 1.970 3.272 -12.386 1.00 0.00 C ATOM 721 OE1 GLU A 47 2.541 2.176 -12.204 1.00 0.00 O ATOM 722 OE2 GLU A 47 1.313 3.538 -13.414 1.00 0.00 O ATOM 0 H GLU A 47 2.381 4.067 -8.138 1.00 0.00 H new ATOM 0 HA GLU A 47 1.471 6.188 -9.654 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.156 3.227 -9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.038 4.159 -10.704 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.000 5.319 -11.762 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.070 4.275 -10.848 1.00 0.00 H new ATOM 729 N PHE A 48 -0.775 4.968 -7.625 1.00 0.00 N ATOM 730 CA PHE A 48 -2.091 5.192 -7.042 1.00 0.00 C ATOM 731 C PHE A 48 -1.994 6.336 -6.053 1.00 0.00 C ATOM 732 O PHE A 48 -2.913 7.139 -5.905 1.00 0.00 O ATOM 733 CB PHE A 48 -2.592 3.941 -6.322 1.00 0.00 C ATOM 734 CG PHE A 48 -2.755 2.754 -7.217 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.673 1.942 -7.512 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.992 2.448 -7.757 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.831 0.837 -8.337 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.151 1.352 -8.578 1.00 0.00 C ATOM 739 CZ PHE A 48 -3.069 0.549 -8.865 1.00 0.00 C ATOM 0 H PHE A 48 -0.202 4.290 -7.123 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.795 5.432 -7.839 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.894 3.689 -5.523 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.549 4.163 -5.851 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.702 2.169 -7.098 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.842 3.075 -7.533 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.985 0.205 -8.564 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.121 1.124 -8.995 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.193 -0.310 -9.507 1.00 0.00 H new ATOM 749 N CYS A 49 -0.850 6.389 -5.381 1.00 0.00 N ATOM 750 CA CYS A 49 -0.572 7.427 -4.396 1.00 0.00 C ATOM 751 C CYS A 49 -0.711 8.816 -5.007 1.00 0.00 C ATOM 752 O CYS A 49 -0.490 9.000 -6.203 1.00 0.00 O ATOM 753 CB CYS A 49 0.848 7.266 -3.852 1.00 0.00 C ATOM 754 SG CYS A 49 1.419 8.654 -2.844 1.00 0.00 S ATOM 0 H CYS A 49 -0.092 5.717 -5.503 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.296 7.322 -3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.895 6.355 -3.255 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.533 7.134 -4.690 1.00 0.00 H new ATOM 0 HG CYS A 49 1.332 9.754 -3.531 1.00 0.00 H new ATOM 760 N HIS A 50 -1.081 9.790 -4.183 1.00 0.00 N ATOM 761 CA HIS A 50 -1.210 11.162 -4.649 1.00 0.00 C ATOM 762 C HIS A 50 0.160 11.653 -5.106 1.00 0.00 C ATOM 763 O HIS A 50 1.146 11.437 -4.410 1.00 0.00 O ATOM 764 CB HIS A 50 -1.765 12.056 -3.535 1.00 0.00 C ATOM 765 CG HIS A 50 -2.156 13.431 -3.984 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.281 14.299 -4.600 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.340 14.089 -3.899 1.00 0.00 C ATOM 768 CE1 HIS A 50 -1.905 15.430 -4.875 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.155 15.329 -4.461 1.00 0.00 N ATOM 0 H HIS A 50 -1.295 9.655 -3.195 1.00 0.00 H new ATOM 0 HA HIS A 50 -1.908 11.204 -5.485 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.635 11.569 -3.094 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.016 12.143 -2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.256 13.709 -3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.467 16.292 -5.357 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.868 16.054 -4.545 1.00 0.00 H new ATOM 778 N PRO A 51 0.248 12.302 -6.281 1.00 0.00 N ATOM 779 CA PRO A 51 1.521 12.784 -6.830 1.00 0.00 C ATOM 780 C PRO A 51 2.415 13.479 -5.805 1.00 0.00 C ATOM 781 O PRO A 51 3.539 13.041 -5.555 1.00 0.00 O ATOM 782 CB PRO A 51 1.074 13.757 -7.913 1.00 0.00 C ATOM 783 CG PRO A 51 -0.213 13.191 -8.391 1.00 0.00 C ATOM 784 CD PRO A 51 -0.881 12.638 -7.167 1.00 0.00 C ATOM 0 HA PRO A 51 2.139 11.961 -7.189 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.945 14.764 -7.517 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.806 13.822 -8.718 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.828 13.957 -8.863 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.048 12.412 -9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.547 13.369 -6.709 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.483 11.760 -7.400 1.00 0.00 H new ATOM 792 N GLU A 52 1.915 14.560 -5.215 1.00 0.00 N ATOM 793 CA GLU A 52 2.676 15.320 -4.229 1.00 0.00 C ATOM 794 C GLU A 52 3.111 14.445 -3.055 1.00 0.00 C ATOM 795 O GLU A 52 4.002 14.818 -2.291 1.00 0.00 O ATOM 796 CB GLU A 52 1.838 16.490 -3.718 1.00 0.00 C ATOM 797 CG GLU A 52 1.448 17.479 -4.803 1.00 0.00 C ATOM 798 CD GLU A 52 0.656 18.654 -4.264 1.00 0.00 C ATOM 799 OE1 GLU A 52 1.281 19.659 -3.866 1.00 0.00 O ATOM 800 OE2 GLU A 52 -0.590 18.569 -4.242 1.00 0.00 O ATOM 0 H GLU A 52 0.983 14.930 -5.403 1.00 0.00 H new ATOM 0 HA GLU A 52 3.575 15.695 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.933 16.101 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.397 17.015 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.349 17.847 -5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.858 16.966 -5.562 1.00 0.00 H new ATOM 807 N ASP A 53 2.482 13.285 -2.919 1.00 0.00 N ATOM 808 CA ASP A 53 2.797 12.365 -1.830 1.00 0.00 C ATOM 809 C ASP A 53 3.648 11.185 -2.288 1.00 0.00 C ATOM 810 O ASP A 53 4.259 10.510 -1.461 1.00 0.00 O ATOM 811 CB ASP A 53 1.514 11.831 -1.196 1.00 0.00 C ATOM 812 CG ASP A 53 0.784 12.883 -0.384 1.00 0.00 C ATOM 813 OD1 ASP A 53 -0.044 13.613 -0.967 1.00 0.00 O ATOM 814 OD2 ASP A 53 1.041 12.975 0.835 1.00 0.00 O ATOM 0 H ASP A 53 1.750 12.957 -3.549 1.00 0.00 H new ATOM 0 HA ASP A 53 3.372 12.935 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.854 11.459 -1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.756 10.984 -0.554 1.00 0.00 H new ATOM 819 N GLN A 54 3.690 10.922 -3.593 1.00 0.00 N ATOM 820 CA GLN A 54 4.461 9.803 -4.095 1.00 0.00 C ATOM 821 C GLN A 54 5.926 9.949 -3.718 1.00 0.00 C ATOM 822 O GLN A 54 6.595 8.966 -3.417 1.00 0.00 O ATOM 823 CB GLN A 54 4.329 9.674 -5.607 1.00 0.00 C ATOM 824 CG GLN A 54 2.908 9.772 -6.114 1.00 0.00 C ATOM 825 CD GLN A 54 2.822 9.662 -7.623 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.751 10.033 -8.339 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.701 9.153 -8.115 1.00 0.00 N ATOM 0 H GLN A 54 3.204 11.464 -4.307 1.00 0.00 H new ATOM 0 HA GLN A 54 4.063 8.898 -3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.927 10.453 -6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.749 8.717 -5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.309 8.983 -5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.477 10.722 -5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.955 8.858 -7.485 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.584 9.057 -9.124 1.00 0.00 H new ATOM 836 N GLN A 55 6.422 11.179 -3.742 1.00 0.00 N ATOM 837 CA GLN A 55 7.811 11.438 -3.395 1.00 0.00 C ATOM 838 C GLN A 55 8.088 11.003 -1.962 1.00 0.00 C ATOM 839 O GLN A 55 9.207 10.621 -1.620 1.00 0.00 O ATOM 840 CB GLN A 55 8.140 12.921 -3.564 1.00 0.00 C ATOM 841 CG GLN A 55 9.607 13.247 -3.330 1.00 0.00 C ATOM 842 CD GLN A 55 10.521 12.561 -4.324 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.814 13.100 -5.390 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.979 11.365 -3.975 1.00 0.00 N ATOM 0 H GLN A 55 5.886 12.008 -3.997 1.00 0.00 H new ATOM 0 HA GLN A 55 8.445 10.862 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.862 13.234 -4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.532 13.501 -2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.751 14.326 -3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.885 12.948 -2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.709 10.957 -3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.601 10.854 -4.602 1.00 0.00 H new ATOM 853 N LEU A 56 7.054 11.065 -1.133 1.00 0.00 N ATOM 854 CA LEU A 56 7.151 10.675 0.259 1.00 0.00 C ATOM 855 C LEU A 56 7.079 9.165 0.375 1.00 0.00 C ATOM 856 O LEU A 56 7.773 8.553 1.186 1.00 0.00 O ATOM 857 CB LEU A 56 6.019 11.330 1.054 1.00 0.00 C ATOM 858 CG LEU A 56 5.690 10.682 2.398 1.00 0.00 C ATOM 859 CD1 LEU A 56 6.170 11.547 3.552 1.00 0.00 C ATOM 860 CD2 LEU A 56 4.194 10.426 2.494 1.00 0.00 C ATOM 0 H LEU A 56 6.127 11.387 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 56 8.105 11.009 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.280 12.374 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.119 11.325 0.440 1.00 0.00 H new ATOM 0 HG LEU A 56 6.213 9.728 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.923 11.063 4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.250 11.679 3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.682 12.520 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.965 9.964 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.657 11.371 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.886 9.760 1.688 1.00 0.00 H new ATOM 872 N LEU A 57 6.227 8.575 -0.450 1.00 0.00 N ATOM 873 CA LEU A 57 6.056 7.135 -0.466 1.00 0.00 C ATOM 874 C LEU A 57 7.353 6.476 -0.900 1.00 0.00 C ATOM 875 O LEU A 57 7.915 5.641 -0.192 1.00 0.00 O ATOM 876 CB LEU A 57 4.926 6.759 -1.421 1.00 0.00 C ATOM 877 CG LEU A 57 4.470 5.304 -1.343 1.00 0.00 C ATOM 878 CD1 LEU A 57 4.119 4.943 0.089 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.286 5.068 -2.268 1.00 0.00 C ATOM 0 H LEU A 57 5.642 9.076 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 57 5.798 6.788 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.070 7.403 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.248 6.968 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 57 5.287 4.661 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.795 3.903 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.995 5.077 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.314 5.589 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.973 4.026 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.459 5.715 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.575 5.294 -3.294 1.00 0.00 H new ATOM 891 N ARG A 58 7.811 6.863 -2.081 1.00 0.00 N ATOM 892 CA ARG A 58 9.056 6.359 -2.631 1.00 0.00 C ATOM 893 C ARG A 58 10.187 6.587 -1.640 1.00 0.00 C ATOM 894 O ARG A 58 11.047 5.727 -1.456 1.00 0.00 O ATOM 895 CB ARG A 58 9.374 7.070 -3.947 1.00 0.00 C ATOM 896 CG ARG A 58 8.306 6.898 -5.014 1.00 0.00 C ATOM 897 CD ARG A 58 8.515 7.870 -6.165 1.00 0.00 C ATOM 898 NE ARG A 58 7.668 9.053 -6.052 1.00 0.00 N ATOM 899 CZ ARG A 58 7.877 10.176 -6.734 1.00 0.00 C ATOM 900 NH1 ARG A 58 8.889 10.259 -7.588 1.00 0.00 N ATOM 901 NH2 ARG A 58 7.072 11.215 -6.566 1.00 0.00 N ATOM 0 H ARG A 58 7.331 7.533 -2.682 1.00 0.00 H new ATOM 0 HA ARG A 58 8.952 5.291 -2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.509 8.134 -3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.322 6.694 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.326 5.875 -5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.321 7.057 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.561 8.176 -6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.305 7.364 -7.107 1.00 0.00 H new ATOM 0 HE ARG A 58 6.872 9.017 -5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.509 9.461 -7.723 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.047 11.121 -8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.291 11.155 -5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.234 12.075 -7.090 1.00 0.00 H new ATOM 915 N ASP A 59 10.169 7.756 -1.001 1.00 0.00 N ATOM 916 CA ASP A 59 11.186 8.106 -0.013 1.00 0.00 C ATOM 917 C ASP A 59 11.274 7.031 1.040 1.00 0.00 C ATOM 918 O ASP A 59 12.362 6.568 1.382 1.00 0.00 O ATOM 919 CB ASP A 59 10.867 9.449 0.634 1.00 0.00 C ATOM 920 CG ASP A 59 11.903 9.860 1.661 1.00 0.00 C ATOM 921 OD1 ASP A 59 12.899 10.506 1.274 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.720 9.535 2.854 1.00 0.00 O ATOM 0 H ASP A 59 9.462 8.476 -1.150 1.00 0.00 H new ATOM 0 HA ASP A 59 12.148 8.188 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.803 10.215 -0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.889 9.395 1.111 1.00 0.00 H new ATOM 927 N SER A 60 10.123 6.642 1.559 1.00 0.00 N ATOM 928 CA SER A 60 10.076 5.594 2.558 1.00 0.00 C ATOM 929 C SER A 60 10.818 4.369 2.048 1.00 0.00 C ATOM 930 O SER A 60 11.776 3.916 2.665 1.00 0.00 O ATOM 931 CB SER A 60 8.630 5.239 2.902 1.00 0.00 C ATOM 932 OG SER A 60 8.492 3.854 3.166 1.00 0.00 O ATOM 0 H SER A 60 9.216 7.034 1.307 1.00 0.00 H new ATOM 0 HA SER A 60 10.560 5.952 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.309 5.812 3.772 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.977 5.521 2.076 1.00 0.00 H new ATOM 0 HG SER A 60 7.549 3.598 3.087 1.00 0.00 H new ATOM 938 N PHE A 61 10.392 3.864 0.896 1.00 0.00 N ATOM 939 CA PHE A 61 11.017 2.692 0.298 1.00 0.00 C ATOM 940 C PHE A 61 12.515 2.885 0.159 1.00 0.00 C ATOM 941 O PHE A 61 13.286 1.942 0.326 1.00 0.00 O ATOM 942 CB PHE A 61 10.408 2.404 -1.073 1.00 0.00 C ATOM 943 CG PHE A 61 8.906 2.335 -1.056 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.234 1.809 0.039 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.166 2.800 -2.129 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.856 1.748 0.061 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.787 2.742 -2.112 1.00 0.00 C ATOM 948 CZ PHE A 61 6.130 2.214 -1.016 1.00 0.00 C ATOM 0 H PHE A 61 9.616 4.249 0.358 1.00 0.00 H new ATOM 0 HA PHE A 61 10.835 1.844 0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.721 3.180 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.804 1.460 -1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.797 1.443 0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.673 3.213 -2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.346 1.336 0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.221 3.109 -2.955 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.051 2.166 -1.003 1.00 0.00 H new ATOM 958 N GLN A 62 12.926 4.113 -0.139 1.00 0.00 N ATOM 959 CA GLN A 62 14.337 4.410 -0.303 1.00 0.00 C ATOM 960 C GLN A 62 15.053 4.283 1.027 1.00 0.00 C ATOM 961 O GLN A 62 16.218 3.908 1.080 1.00 0.00 O ATOM 962 CB GLN A 62 14.526 5.819 -0.867 1.00 0.00 C ATOM 963 CG GLN A 62 13.875 6.021 -2.225 1.00 0.00 C ATOM 964 CD GLN A 62 14.887 6.235 -3.333 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.354 5.282 -3.956 1.00 0.00 O ATOM 966 NE2 GLN A 62 15.230 7.493 -3.585 1.00 0.00 N ATOM 0 H GLN A 62 12.304 4.911 -0.270 1.00 0.00 H new ATOM 0 HA GLN A 62 14.763 3.694 -1.006 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.112 6.542 -0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.592 6.029 -0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.261 5.152 -2.462 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.206 6.880 -2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.817 8.252 -3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.906 7.700 -4.320 1.00 0.00 H new ATOM 975 N GLN A 63 14.339 4.583 2.100 1.00 0.00 N ATOM 976 CA GLN A 63 14.901 4.517 3.435 1.00 0.00 C ATOM 977 C GLN A 63 14.931 3.084 3.973 1.00 0.00 C ATOM 978 O GLN A 63 15.917 2.667 4.576 1.00 0.00 O ATOM 979 CB GLN A 63 14.085 5.412 4.355 1.00 0.00 C ATOM 980 CG GLN A 63 14.140 6.886 3.977 1.00 0.00 C ATOM 981 CD GLN A 63 15.515 7.485 4.193 1.00 0.00 C ATOM 982 OE1 GLN A 63 15.787 8.083 5.233 1.00 0.00 O ATOM 983 NE2 GLN A 63 16.395 7.309 3.217 1.00 0.00 N ATOM 0 H GLN A 63 13.363 4.876 2.069 1.00 0.00 H new ATOM 0 HA GLN A 63 15.934 4.862 3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.047 5.081 4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.446 5.294 5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.856 7.001 2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.409 7.438 4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.125 6.806 2.372 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.342 7.676 3.312 1.00 0.00 H new ATOM 992 N VAL A 64 13.852 2.334 3.757 1.00 0.00 N ATOM 993 CA VAL A 64 13.779 0.951 4.240 1.00 0.00 C ATOM 994 C VAL A 64 14.828 0.089 3.559 1.00 0.00 C ATOM 995 O VAL A 64 15.385 -0.831 4.158 1.00 0.00 O ATOM 996 CB VAL A 64 12.378 0.301 4.017 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.326 1.338 3.677 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.419 -0.772 2.934 1.00 0.00 C ATOM 0 H VAL A 64 13.023 2.654 3.256 1.00 0.00 H new ATOM 0 HA VAL A 64 13.963 0.999 5.313 1.00 0.00 H new ATOM 0 HB VAL A 64 12.103 -0.172 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.365 0.846 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.245 2.055 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.611 1.859 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.425 -1.200 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.744 -0.327 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.118 -1.556 3.225 1.00 0.00 H new ATOM 1008 N VAL A 65 15.085 0.402 2.305 1.00 0.00 N ATOM 1009 CA VAL A 65 16.035 -0.340 1.510 1.00 0.00 C ATOM 1010 C VAL A 65 17.461 0.117 1.796 1.00 0.00 C ATOM 1011 O VAL A 65 18.404 -0.671 1.724 1.00 0.00 O ATOM 1012 CB VAL A 65 15.701 -0.184 0.022 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.044 1.216 -0.466 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.395 -1.245 -0.805 1.00 0.00 C ATOM 0 H VAL A 65 14.641 1.177 1.812 1.00 0.00 H new ATOM 0 HA VAL A 65 15.966 -1.394 1.778 1.00 0.00 H new ATOM 0 HB VAL A 65 14.627 -0.324 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.798 1.303 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.471 1.950 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.109 1.400 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.141 -1.111 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.474 -1.157 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.071 -2.232 -0.476 1.00 0.00 H new ATOM 1024 N LYS A 66 17.607 1.399 2.118 1.00 0.00 N ATOM 1025 CA LYS A 66 18.911 1.960 2.448 1.00 0.00 C ATOM 1026 C LYS A 66 19.378 1.424 3.788 1.00 0.00 C ATOM 1027 O LYS A 66 20.552 1.109 3.981 1.00 0.00 O ATOM 1028 CB LYS A 66 18.827 3.484 2.529 1.00 0.00 C ATOM 1029 CG LYS A 66 19.015 4.183 1.193 1.00 0.00 C ATOM 1030 CD LYS A 66 18.785 5.684 1.306 1.00 0.00 C ATOM 1031 CE LYS A 66 19.778 6.339 2.254 1.00 0.00 C ATOM 1032 NZ LYS A 66 19.584 7.814 2.329 1.00 0.00 N ATOM 0 H LYS A 66 16.838 2.068 2.157 1.00 0.00 H new ATOM 0 HA LYS A 66 19.617 1.675 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.857 3.763 2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.584 3.843 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.023 3.996 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.324 3.763 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.870 6.140 0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.770 5.871 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.669 5.907 3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.794 6.123 1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.475 8.294 2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.843 8.101 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.298 8.078 3.294 1.00 0.00 H new ATOM 1046 N LEU A 67 18.430 1.327 4.707 1.00 0.00 N ATOM 1047 CA LEU A 67 18.695 0.851 6.052 1.00 0.00 C ATOM 1048 C LEU A 67 18.428 -0.644 6.153 1.00 0.00 C ATOM 1049 O LEU A 67 18.507 -1.235 7.231 1.00 0.00 O ATOM 1050 CB LEU A 67 17.824 1.642 7.019 1.00 0.00 C ATOM 1051 CG LEU A 67 17.879 3.157 6.801 1.00 0.00 C ATOM 1052 CD1 LEU A 67 16.917 3.879 7.730 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.298 3.665 6.993 1.00 0.00 C ATOM 0 H LEU A 67 17.455 1.577 4.539 1.00 0.00 H new ATOM 0 HA LEU A 67 19.744 1.003 6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.791 1.307 6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.135 1.419 8.040 1.00 0.00 H new ATOM 0 HG LEU A 67 17.570 3.366 5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.977 4.953 7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.900 3.536 7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.183 3.666 8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.323 4.743 6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.632 3.439 8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.959 3.178 6.276 1.00 0.00 H new ATOM 1065 N LYS A 68 18.122 -1.233 5.002 1.00 0.00 N ATOM 1066 CA LYS A 68 17.852 -2.664 4.880 1.00 0.00 C ATOM 1067 C LYS A 68 17.178 -3.249 6.117 1.00 0.00 C ATOM 1068 O LYS A 68 17.821 -3.891 6.948 1.00 0.00 O ATOM 1069 CB LYS A 68 19.148 -3.408 4.598 1.00 0.00 C ATOM 1070 CG LYS A 68 19.418 -3.627 3.125 1.00 0.00 C ATOM 1071 CD LYS A 68 18.416 -4.594 2.512 1.00 0.00 C ATOM 1072 CE LYS A 68 17.598 -3.937 1.411 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.589 -4.870 0.838 1.00 0.00 N ATOM 0 H LYS A 68 18.053 -0.727 4.119 1.00 0.00 H new ATOM 0 HA LYS A 68 17.156 -2.789 4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.978 -2.850 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.118 -4.375 5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.372 -2.673 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.428 -4.016 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.945 -5.457 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.748 -4.966 3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.094 -3.057 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.264 -3.592 0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.684 -4.891 -0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.743 -5.825 1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.634 -4.546 1.091 1.00 0.00 H new ATOM 1087 N GLY A 69 15.882 -3.015 6.224 1.00 0.00 N ATOM 1088 CA GLY A 69 15.113 -3.540 7.336 1.00 0.00 C ATOM 1089 C GLY A 69 14.355 -2.468 8.088 1.00 0.00 C ATOM 1090 O GLY A 69 13.185 -2.654 8.425 1.00 0.00 O ATOM 0 H GLY A 69 15.342 -2.466 5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.408 -4.283 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.784 -4.054 8.024 1.00 0.00 H new ATOM 1094 N GLN A 70 15.019 -1.349 8.357 1.00 0.00 N ATOM 1095 CA GLN A 70 14.388 -0.244 9.067 1.00 0.00 C ATOM 1096 C GLN A 70 13.046 0.086 8.427 1.00 0.00 C ATOM 1097 O GLN A 70 12.979 0.425 7.246 1.00 0.00 O ATOM 1098 CB GLN A 70 15.297 0.980 9.046 1.00 0.00 C ATOM 1099 CG GLN A 70 14.875 2.078 10.005 1.00 0.00 C ATOM 1100 CD GLN A 70 14.791 1.597 11.441 1.00 0.00 C ATOM 1101 OE1 GLN A 70 13.741 1.140 11.894 1.00 0.00 O ATOM 1102 NE2 GLN A 70 15.900 1.696 12.165 1.00 0.00 N ATOM 0 H GLN A 70 15.991 -1.184 8.095 1.00 0.00 H new ATOM 0 HA GLN A 70 14.221 -0.538 10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.313 0.670 9.290 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.321 1.385 8.034 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.585 2.903 9.943 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.905 2.469 9.699 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.748 2.081 11.749 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.904 1.387 13.137 1.00 0.00 H new ATOM 1111 N VAL A 71 11.982 -0.014 9.212 1.00 0.00 N ATOM 1112 CA VAL A 71 10.646 0.248 8.704 1.00 0.00 C ATOM 1113 C VAL A 71 10.336 1.740 8.644 1.00 0.00 C ATOM 1114 O VAL A 71 10.692 2.511 9.537 1.00 0.00 O ATOM 1115 CB VAL A 71 9.572 -0.480 9.536 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.361 0.204 10.879 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.270 -0.578 8.754 1.00 0.00 C ATOM 0 H VAL A 71 12.019 -0.273 10.198 1.00 0.00 H new ATOM 0 HA VAL A 71 10.623 -0.142 7.686 1.00 0.00 H new ATOM 0 HB VAL A 71 9.923 -1.492 9.738 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.598 -0.331 11.444 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.296 0.202 11.439 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.038 1.232 10.717 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.522 -1.095 9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.914 0.424 8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.440 -1.133 7.832 1.00 0.00 H new ATOM 1127 N LEU A 72 9.673 2.123 7.562 1.00 0.00 N ATOM 1128 CA LEU A 72 9.291 3.497 7.305 1.00 0.00 C ATOM 1129 C LEU A 72 7.790 3.681 7.466 1.00 0.00 C ATOM 1130 O LEU A 72 7.009 2.766 7.196 1.00 0.00 O ATOM 1131 CB LEU A 72 9.686 3.862 5.875 1.00 0.00 C ATOM 1132 CG LEU A 72 11.124 4.336 5.670 1.00 0.00 C ATOM 1133 CD1 LEU A 72 11.254 5.798 6.036 1.00 0.00 C ATOM 1134 CD2 LEU A 72 12.102 3.489 6.471 1.00 0.00 C ATOM 0 H LEU A 72 9.383 1.475 6.829 1.00 0.00 H new ATOM 0 HA LEU A 72 9.801 4.142 8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.519 2.991 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.014 4.645 5.524 1.00 0.00 H new ATOM 0 HG LEU A 72 11.372 4.220 4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.284 6.121 5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.592 6.391 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.980 5.937 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.117 3.850 6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.861 3.560 7.532 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.030 2.450 6.151 1.00 0.00 H new ATOM 1146 N SER A 73 7.392 4.867 7.900 1.00 0.00 N ATOM 1147 CA SER A 73 5.983 5.179 8.070 1.00 0.00 C ATOM 1148 C SER A 73 5.653 6.476 7.361 1.00 0.00 C ATOM 1149 O SER A 73 6.124 7.547 7.744 1.00 0.00 O ATOM 1150 CB SER A 73 5.620 5.292 9.545 1.00 0.00 C ATOM 1151 OG SER A 73 4.227 5.125 9.742 1.00 0.00 O ATOM 0 H SER A 73 8.026 5.629 8.141 1.00 0.00 H new ATOM 0 HA SER A 73 5.400 4.367 7.635 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.164 4.539 10.115 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.930 6.265 9.925 1.00 0.00 H new ATOM 0 HG SER A 73 4.020 5.200 10.697 1.00 0.00 H new ATOM 1157 N VAL A 74 4.842 6.372 6.324 1.00 0.00 N ATOM 1158 CA VAL A 74 4.456 7.548 5.548 1.00 0.00 C ATOM 1159 C VAL A 74 2.969 7.543 5.231 1.00 0.00 C ATOM 1160 O VAL A 74 2.410 6.515 4.851 1.00 0.00 O ATOM 1161 CB VAL A 74 5.244 7.644 4.222 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.738 7.741 4.483 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.930 6.461 3.326 1.00 0.00 C ATOM 0 H VAL A 74 4.438 5.494 5.997 1.00 0.00 H new ATOM 0 HA VAL A 74 4.692 8.413 6.168 1.00 0.00 H new ATOM 0 HB VAL A 74 4.933 8.554 3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.270 7.807 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.946 8.630 5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.071 6.855 5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.495 6.548 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.206 5.537 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.863 6.447 3.102 1.00 0.00 H new ATOM 1173 N MET A 75 2.327 8.694 5.388 1.00 0.00 N ATOM 1174 CA MET A 75 0.911 8.799 5.082 1.00 0.00 C ATOM 1175 C MET A 75 0.721 9.383 3.704 1.00 0.00 C ATOM 1176 O MET A 75 1.269 10.438 3.381 1.00 0.00 O ATOM 1177 CB MET A 75 0.160 9.659 6.090 1.00 0.00 C ATOM 1178 CG MET A 75 0.007 9.013 7.448 1.00 0.00 C ATOM 1179 SD MET A 75 -1.307 9.763 8.424 1.00 0.00 S ATOM 1180 CE MET A 75 -2.734 9.312 7.440 1.00 0.00 C ATOM 0 H MET A 75 2.759 9.556 5.721 1.00 0.00 H new ATOM 0 HA MET A 75 0.503 7.790 5.129 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.684 10.608 6.206 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.829 9.888 5.693 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.201 7.951 7.320 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.949 9.090 7.992 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.643 9.641 7.945 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.668 9.791 6.463 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.761 8.230 7.313 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.057 8.698 2.896 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.315 9.163 1.542 1.00 0.00 C ATOM 1192 C PHE A 76 -1.758 8.912 1.129 1.00 0.00 C ATOM 1193 O PHE A 76 -2.477 8.150 1.769 1.00 0.00 O ATOM 1194 CB PHE A 76 0.627 8.469 0.565 1.00 0.00 C ATOM 1195 CG PHE A 76 0.229 7.056 0.270 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.506 6.037 1.165 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.433 6.749 -0.902 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.131 4.743 0.891 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.808 5.453 -1.181 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.524 4.448 -0.278 1.00 0.00 C ATOM 0 H PHE A 76 -0.521 7.824 3.145 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.140 10.239 1.521 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.656 9.034 -0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.637 8.478 0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.022 6.261 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.660 7.534 -1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.353 3.957 1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.322 5.224 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.817 3.431 -0.492 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.166 9.560 0.050 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.519 9.412 -0.469 1.00 0.00 C ATOM 1212 C ARG A 77 -3.558 8.360 -1.576 1.00 0.00 C ATOM 1213 O ARG A 77 -3.092 8.598 -2.691 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.023 10.757 -0.991 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.068 11.836 0.078 1.00 0.00 C ATOM 1216 CD ARG A 77 -3.809 13.219 -0.501 1.00 0.00 C ATOM 1217 NE ARG A 77 -4.969 13.752 -1.206 1.00 0.00 N ATOM 1218 CZ ARG A 77 -5.331 15.032 -1.163 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -4.618 15.902 -0.459 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -6.404 15.444 -1.824 1.00 0.00 N ATOM 0 H ARG A 77 -1.577 10.197 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.171 9.079 0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.378 11.088 -1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.021 10.626 -1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.043 11.823 0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.325 11.618 0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.531 13.900 0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.962 13.171 -1.185 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.533 13.109 -1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.791 15.590 0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.897 16.883 -0.427 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.955 14.779 -2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.679 16.426 -1.789 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.112 7.193 -1.255 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.208 6.094 -2.211 1.00 0.00 C ATOM 1236 C PHE A 78 -5.485 6.187 -3.037 1.00 0.00 C ATOM 1237 O PHE A 78 -6.570 5.903 -2.533 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.202 4.743 -1.475 1.00 0.00 C ATOM 1239 CG PHE A 78 -3.939 3.558 -2.374 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.900 3.109 -3.269 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.723 2.897 -2.327 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.647 2.025 -4.096 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.466 1.819 -3.151 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.427 1.383 -4.035 1.00 0.00 C ATOM 0 H PHE A 78 -4.503 6.984 -0.336 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.346 6.166 -2.874 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.443 4.769 -0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.164 4.605 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.856 3.609 -3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.964 3.230 -1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.404 1.684 -4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.511 1.318 -3.102 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.226 0.540 -4.680 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.366 6.578 -4.304 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.535 6.634 -5.162 1.00 0.00 C ATOM 1256 C ARG A 79 -7.028 5.215 -5.348 1.00 0.00 C ATOM 1257 O ARG A 79 -6.459 4.442 -6.121 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.214 7.278 -6.512 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.410 7.359 -7.449 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.608 6.062 -8.208 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.425 6.245 -9.404 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.070 5.826 -10.615 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -6.917 5.192 -10.791 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -8.867 6.040 -11.653 1.00 0.00 N ATOM 0 H ARG A 79 -4.490 6.854 -4.747 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.304 7.253 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.827 8.283 -6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.421 6.709 -6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.308 7.587 -6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.266 8.177 -8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.637 5.656 -8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.081 5.329 -7.555 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.321 6.722 -9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.300 5.025 -9.996 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.648 4.872 -11.721 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.754 6.527 -11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.593 5.718 -12.581 1.00 0.00 H new ATOM 1278 N SER A 80 -8.069 4.868 -4.618 1.00 0.00 N ATOM 1279 CA SER A 80 -8.604 3.530 -4.655 1.00 0.00 C ATOM 1280 C SER A 80 -9.555 3.293 -5.821 1.00 0.00 C ATOM 1281 O SER A 80 -9.717 4.141 -6.696 1.00 0.00 O ATOM 1282 CB SER A 80 -9.287 3.246 -3.331 1.00 0.00 C ATOM 1283 OG SER A 80 -8.333 3.223 -2.287 1.00 0.00 O ATOM 0 H SER A 80 -8.561 5.502 -3.989 1.00 0.00 H new ATOM 0 HA SER A 80 -7.775 2.840 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.039 4.009 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.808 2.290 -3.379 1.00 0.00 H new ATOM 0 HG SER A 80 -7.819 4.057 -2.295 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.159 2.109 -5.823 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.083 1.702 -6.863 1.00 0.00 C ATOM 1291 C LYS A 81 -12.260 2.669 -6.962 1.00 0.00 C ATOM 1292 O LYS A 81 -12.893 2.787 -8.013 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.572 0.282 -6.584 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.189 -0.367 -7.795 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.423 -1.606 -8.199 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.110 -2.322 -9.337 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.401 -2.933 -8.915 1.00 0.00 N ATOM 0 H LYS A 81 -10.017 1.406 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.563 1.720 -7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.735 -0.325 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.304 0.306 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.225 -0.630 -7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.203 0.341 -8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.411 -1.331 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.333 -2.277 -7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.290 -1.620 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.452 -3.099 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.721 -3.604 -9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.269 -3.435 -8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.115 -2.187 -8.794 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.544 3.364 -5.865 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.641 4.325 -5.830 1.00 0.00 C ATOM 1313 C ASN A 82 -13.197 5.674 -6.387 1.00 0.00 C ATOM 1314 O ASN A 82 -13.976 6.628 -6.430 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.158 4.497 -4.402 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.728 3.213 -3.833 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.915 2.924 -3.989 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -13.882 2.435 -3.166 1.00 0.00 N ATOM 0 H ASN A 82 -12.030 3.280 -4.988 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.447 3.938 -6.454 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.345 4.844 -3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.927 5.270 -4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.208 1.559 -2.759 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.907 2.714 -3.061 1.00 0.00 H new ATOM 1325 N GLN A 83 -11.937 5.739 -6.807 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.364 6.956 -7.373 1.00 0.00 C ATOM 1327 C GLN A 83 -11.353 8.080 -6.345 1.00 0.00 C ATOM 1328 O GLN A 83 -11.599 9.241 -6.672 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.147 7.377 -8.615 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.470 6.216 -9.543 1.00 0.00 C ATOM 1331 CD GLN A 83 -12.047 6.478 -10.974 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -12.042 7.620 -11.434 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -11.685 5.417 -11.686 1.00 0.00 N ATOM 0 H GLN A 83 -11.287 4.954 -6.765 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.333 6.750 -7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.076 7.856 -8.306 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.572 8.123 -9.164 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.973 5.317 -9.180 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -13.542 6.021 -9.515 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.705 4.489 -11.264 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.387 5.530 -12.655 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.058 7.721 -5.101 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.011 8.689 -4.014 1.00 0.00 C ATOM 1344 C GLU A 84 -9.673 8.616 -3.288 1.00 0.00 C ATOM 1345 O GLU A 84 -9.102 7.537 -3.129 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.150 8.429 -3.031 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.523 8.408 -3.681 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.636 8.154 -2.683 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -14.933 6.971 -2.414 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -15.211 9.138 -2.172 1.00 0.00 O ATOM 0 H GLU A 84 -10.847 6.763 -4.820 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.124 9.687 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.978 7.474 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.135 9.198 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.699 9.360 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.546 7.635 -4.449 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.176 9.769 -2.849 1.00 0.00 N ATOM 1358 CA TRP A 85 -7.907 9.826 -2.141 1.00 0.00 C ATOM 1359 C TRP A 85 -8.021 9.175 -0.765 1.00 0.00 C ATOM 1360 O TRP A 85 -8.367 9.828 0.219 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.445 11.279 -2.010 1.00 0.00 C ATOM 1362 CG TRP A 85 -6.959 11.871 -3.297 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.339 13.053 -3.856 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.002 11.301 -4.180 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -6.674 13.249 -5.044 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -5.844 12.182 -5.263 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.266 10.129 -4.149 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -4.970 11.915 -6.314 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.398 9.859 -5.188 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.255 10.750 -6.260 1.00 0.00 C ATOM 0 H TRP A 85 -9.633 10.672 -2.972 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.166 9.270 -2.715 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.271 11.881 -1.631 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.646 11.332 -1.270 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.058 13.737 -3.429 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.781 14.055 -5.660 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.369 9.437 -3.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -4.861 12.602 -7.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -3.820 8.947 -5.174 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.568 10.513 -7.058 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.722 7.880 -0.714 1.00 0.00 N ATOM 1382 CA LEU A 86 -7.791 7.117 0.526 1.00 0.00 C ATOM 1383 C LEU A 86 -6.524 7.283 1.357 1.00 0.00 C ATOM 1384 O LEU A 86 -5.512 6.643 1.082 1.00 0.00 O ATOM 1385 CB LEU A 86 -7.999 5.629 0.220 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.379 5.229 -0.321 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.708 3.809 0.104 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.457 6.189 0.161 1.00 0.00 C ATOM 0 H LEU A 86 -7.428 7.335 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.635 7.501 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.246 5.321 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.813 5.063 1.133 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.349 5.279 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.688 3.531 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.955 3.127 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.717 3.748 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.423 5.881 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.494 6.178 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.227 7.197 -0.184 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.582 8.124 2.387 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.421 8.338 3.238 1.00 0.00 C ATOM 1402 C TRP A 87 -5.018 7.039 3.908 1.00 0.00 C ATOM 1403 O TRP A 87 -5.832 6.368 4.542 1.00 0.00 O ATOM 1404 CB TRP A 87 -5.688 9.407 4.288 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.319 10.783 3.832 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.170 11.744 3.369 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.000 11.351 3.778 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -5.468 12.874 3.031 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.136 12.659 3.271 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -2.716 10.887 4.109 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.045 13.503 3.084 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -1.638 11.732 3.920 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -1.808 13.025 3.411 1.00 0.00 C ATOM 0 H TRP A 87 -7.410 8.660 2.648 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.604 8.686 2.606 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.745 9.390 4.554 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.128 9.168 5.192 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.241 11.632 3.281 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.872 13.734 2.661 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -2.574 9.891 4.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.172 14.502 2.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -0.645 11.388 4.170 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -0.943 13.657 3.274 1.00 0.00 H new ATOM 1424 N MET A 88 -3.755 6.700 3.757 1.00 0.00 N ATOM 1425 CA MET A 88 -3.214 5.477 4.320 1.00 0.00 C ATOM 1426 C MET A 88 -1.854 5.707 4.933 1.00 0.00 C ATOM 1427 O MET A 88 -1.168 6.677 4.620 1.00 0.00 O ATOM 1428 CB MET A 88 -3.076 4.411 3.237 1.00 0.00 C ATOM 1429 CG MET A 88 -4.347 4.153 2.470 1.00 0.00 C ATOM 1430 SD MET A 88 -5.284 2.755 3.090 1.00 0.00 S ATOM 1431 CE MET A 88 -6.602 2.725 1.883 1.00 0.00 C ATOM 0 H MET A 88 -3.075 7.261 3.243 1.00 0.00 H new ATOM 0 HA MET A 88 -3.906 5.145 5.094 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.297 4.715 2.538 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.745 3.480 3.697 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.972 5.045 2.508 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.101 3.980 1.422 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.530 3.054 2.350 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.355 3.392 1.057 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.726 1.710 1.505 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.481 4.799 5.808 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.188 4.840 6.457 1.00 0.00 C ATOM 1443 C ARG A 89 0.599 3.606 6.042 1.00 0.00 C ATOM 1444 O ARG A 89 0.150 2.481 6.257 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.349 4.864 7.974 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.271 5.958 8.473 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.716 6.603 9.726 1.00 0.00 C ATOM 1448 NE ARG A 89 -0.831 5.731 10.892 1.00 0.00 N ATOM 1449 CZ ARG A 89 0.013 5.756 11.919 1.00 0.00 C ATOM 1450 NH1 ARG A 89 1.037 6.598 11.923 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.167 4.934 12.945 1.00 0.00 N ATOM 0 H ARG A 89 -2.065 4.012 6.090 1.00 0.00 H new ATOM 0 HA ARG A 89 0.341 5.745 6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.733 3.899 8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.632 4.991 8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.400 6.713 7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.257 5.542 8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.332 6.859 9.568 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.246 7.536 9.918 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.603 5.065 10.920 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.180 7.231 11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.682 6.613 12.713 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.953 4.283 12.945 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.480 4.953 13.733 1.00 0.00 H new ATOM 1465 N THR A 90 1.767 3.805 5.455 1.00 0.00 N ATOM 1466 CA THR A 90 2.560 2.678 4.984 1.00 0.00 C ATOM 1467 C THR A 90 3.624 2.240 5.971 1.00 0.00 C ATOM 1468 O THR A 90 4.306 3.068 6.580 1.00 0.00 O ATOM 1469 CB THR A 90 3.273 2.994 3.666 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.530 3.622 3.928 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.424 3.894 2.804 1.00 0.00 C ATOM 0 H THR A 90 2.184 4.722 5.294 1.00 0.00 H new ATOM 0 HA THR A 90 1.836 1.874 4.852 1.00 0.00 H new ATOM 0 HB THR A 90 3.441 2.058 3.133 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.257 3.023 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.949 4.106 1.873 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.478 3.400 2.583 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.231 4.827 3.333 1.00 0.00 H new ATOM 1479 N SER A 91 3.755 0.919 6.095 1.00 0.00 N ATOM 1480 CA SER A 91 4.762 0.301 6.942 1.00 0.00 C ATOM 1481 C SER A 91 5.747 -0.428 6.036 1.00 0.00 C ATOM 1482 O SER A 91 5.781 -1.659 5.988 1.00 0.00 O ATOM 1483 CB SER A 91 4.108 -0.669 7.930 1.00 0.00 C ATOM 1484 OG SER A 91 3.880 -0.047 9.183 1.00 0.00 O ATOM 0 H SER A 91 3.161 0.249 5.607 1.00 0.00 H new ATOM 0 HA SER A 91 5.284 1.058 7.528 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.163 -1.027 7.521 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.748 -1.541 8.065 1.00 0.00 H new ATOM 0 HG SER A 91 3.460 -0.687 9.795 1.00 0.00 H new ATOM 1490 N SER A 92 6.534 0.359 5.308 1.00 0.00 N ATOM 1491 CA SER A 92 7.492 -0.169 4.343 1.00 0.00 C ATOM 1492 C SER A 92 8.799 -0.607 4.988 1.00 0.00 C ATOM 1493 O SER A 92 9.449 0.155 5.689 1.00 0.00 O ATOM 1494 CB SER A 92 7.779 0.887 3.281 1.00 0.00 C ATOM 1495 OG SER A 92 6.648 1.713 3.070 1.00 0.00 O ATOM 0 H SER A 92 6.526 1.377 5.370 1.00 0.00 H new ATOM 0 HA SER A 92 7.041 -1.054 3.894 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.628 1.498 3.590 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.059 0.401 2.346 1.00 0.00 H new ATOM 0 HG SER A 92 6.708 2.130 2.185 1.00 0.00 H new ATOM 1501 N GLN A 93 9.177 -1.845 4.727 1.00 0.00 N ATOM 1502 CA GLN A 93 10.413 -2.402 5.249 1.00 0.00 C ATOM 1503 C GLN A 93 10.778 -3.648 4.466 1.00 0.00 C ATOM 1504 O GLN A 93 9.902 -4.415 4.082 1.00 0.00 O ATOM 1505 CB GLN A 93 10.279 -2.722 6.731 1.00 0.00 C ATOM 1506 CG GLN A 93 9.196 -3.735 7.046 1.00 0.00 C ATOM 1507 CD GLN A 93 9.144 -4.072 8.517 1.00 0.00 C ATOM 1508 OE1 GLN A 93 8.096 -4.431 9.054 1.00 0.00 O ATOM 1509 NE2 GLN A 93 10.287 -3.950 9.177 1.00 0.00 N ATOM 0 H GLN A 93 8.639 -2.491 4.150 1.00 0.00 H new ATOM 0 HA GLN A 93 11.207 -1.664 5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.233 -3.099 7.099 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.070 -1.800 7.274 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.230 -3.342 6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.373 -4.645 6.472 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.129 -3.649 8.687 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.324 -4.157 10.175 1.00 0.00 H new ATOM 1518 N THR A 94 12.072 -3.852 4.248 1.00 0.00 N ATOM 1519 CA THR A 94 12.552 -4.995 3.481 1.00 0.00 C ATOM 1520 C THR A 94 11.743 -6.248 3.782 1.00 0.00 C ATOM 1521 O THR A 94 11.702 -6.725 4.916 1.00 0.00 O ATOM 1522 CB THR A 94 14.040 -5.247 3.756 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.209 -5.862 5.040 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.801 -3.931 3.714 1.00 0.00 C ATOM 0 H THR A 94 12.810 -3.238 4.593 1.00 0.00 H new ATOM 0 HA THR A 94 12.425 -4.757 2.425 1.00 0.00 H new ATOM 0 HB THR A 94 14.432 -5.916 2.989 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.424 -6.412 5.245 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.857 -4.115 3.910 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.688 -3.477 2.730 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.404 -3.257 4.472 1.00 0.00 H new ATOM 1532 N ALA A 95 11.096 -6.764 2.742 1.00 0.00 N ATOM 1533 CA ALA A 95 10.249 -7.944 2.855 1.00 0.00 C ATOM 1534 C ALA A 95 10.957 -9.113 3.529 1.00 0.00 C ATOM 1535 O ALA A 95 12.161 -9.072 3.780 1.00 0.00 O ATOM 1536 CB ALA A 95 9.743 -8.352 1.482 1.00 0.00 C ATOM 0 H ALA A 95 11.144 -6.376 1.800 1.00 0.00 H new ATOM 0 HA ALA A 95 9.406 -7.677 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.111 -9.235 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.165 -7.535 1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.590 -8.579 0.835 1.00 0.00 H new ATOM 1542 N GLN A 96 10.188 -10.157 3.814 1.00 0.00 N ATOM 1543 CA GLN A 96 10.705 -11.346 4.470 1.00 0.00 C ATOM 1544 C GLN A 96 11.615 -12.143 3.555 1.00 0.00 C ATOM 1545 O GLN A 96 12.834 -11.965 3.567 1.00 0.00 O ATOM 1546 CB GLN A 96 9.546 -12.206 4.949 1.00 0.00 C ATOM 1547 CG GLN A 96 8.486 -11.408 5.680 1.00 0.00 C ATOM 1548 CD GLN A 96 8.935 -10.956 7.057 1.00 0.00 C ATOM 1549 OE1 GLN A 96 8.510 -9.910 7.547 1.00 0.00 O ATOM 1550 NE2 GLN A 96 9.796 -11.744 7.691 1.00 0.00 N ATOM 0 H GLN A 96 9.192 -10.201 3.597 1.00 0.00 H new ATOM 0 HA GLN A 96 11.304 -11.031 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.092 -12.706 4.093 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.927 -12.986 5.609 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.220 -10.534 5.085 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.585 -12.013 5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.123 -12.603 7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.130 -11.490 8.621 1.00 0.00 H new ATOM 1559 N ASN A 97 11.018 -13.014 2.761 1.00 0.00 N ATOM 1560 CA ASN A 97 11.781 -13.851 1.849 1.00 0.00 C ATOM 1561 C ASN A 97 10.856 -14.618 0.901 1.00 0.00 C ATOM 1562 O ASN A 97 9.720 -14.930 1.256 1.00 0.00 O ATOM 1563 CB ASN A 97 12.639 -14.819 2.662 1.00 0.00 C ATOM 1564 CG ASN A 97 11.843 -15.999 3.186 1.00 0.00 C ATOM 1565 OD1 ASN A 97 11.754 -17.040 2.536 1.00 0.00 O ATOM 1566 ND2 ASN A 97 11.259 -15.839 4.368 1.00 0.00 N ATOM 0 H ASN A 97 10.009 -13.161 2.728 1.00 0.00 H new ATOM 0 HA ASN A 97 12.424 -13.218 1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.458 -15.184 2.041 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.088 -14.286 3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.709 -16.597 4.772 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.360 -14.958 4.872 1.00 0.00 H new ATOM 1573 N PRO A 98 11.326 -14.933 -0.324 1.00 0.00 N ATOM 1574 CA PRO A 98 12.667 -14.589 -0.797 1.00 0.00 C ATOM 1575 C PRO A 98 12.749 -13.148 -1.289 1.00 0.00 C ATOM 1576 O PRO A 98 13.743 -12.741 -1.892 1.00 0.00 O ATOM 1577 CB PRO A 98 12.852 -15.559 -1.956 1.00 0.00 C ATOM 1578 CG PRO A 98 11.499 -15.687 -2.535 1.00 0.00 C ATOM 1579 CD PRO A 98 10.564 -15.647 -1.367 1.00 0.00 C ATOM 0 HA PRO A 98 13.426 -14.664 -0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 98 13.564 -15.176 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 98 13.232 -16.522 -1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.291 -14.876 -3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 98 11.395 -16.619 -3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.639 -15.125 -1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 98 10.287 -16.650 -1.043 1.00 0.00 H new ATOM 1587 N TYR A 99 11.696 -12.383 -1.026 1.00 0.00 N ATOM 1588 CA TYR A 99 11.626 -10.998 -1.442 1.00 0.00 C ATOM 1589 C TYR A 99 12.302 -10.092 -0.422 1.00 0.00 C ATOM 1590 O TYR A 99 11.913 -8.944 -0.248 1.00 0.00 O ATOM 1591 CB TYR A 99 10.161 -10.601 -1.624 1.00 0.00 C ATOM 1592 CG TYR A 99 9.246 -11.775 -1.911 1.00 0.00 C ATOM 1593 CD1 TYR A 99 9.465 -12.607 -3.005 1.00 0.00 C ATOM 1594 CD2 TYR A 99 8.168 -12.056 -1.083 1.00 0.00 C ATOM 1595 CE1 TYR A 99 8.635 -13.682 -3.261 1.00 0.00 C ATOM 1596 CE2 TYR A 99 7.335 -13.129 -1.334 1.00 0.00 C ATOM 1597 CZ TYR A 99 7.572 -13.939 -2.423 1.00 0.00 C ATOM 1598 OH TYR A 99 6.744 -15.007 -2.675 1.00 0.00 O ATOM 0 H TYR A 99 10.872 -12.709 -0.520 1.00 0.00 H new ATOM 0 HA TYR A 99 12.153 -10.883 -2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.816 -10.094 -0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.086 -9.884 -2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.297 -12.409 -3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.977 -11.425 -0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.819 -14.318 -4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.501 -13.332 -0.679 1.00 0.00 H new ATOM 0 HH TYR A 99 6.045 -15.048 -1.989 1.00 0.00 H new ATOM 1608 N SER A 100 13.323 -10.611 0.249 1.00 0.00 N ATOM 1609 CA SER A 100 14.040 -9.833 1.250 1.00 0.00 C ATOM 1610 C SER A 100 14.625 -8.567 0.634 1.00 0.00 C ATOM 1611 O SER A 100 14.695 -7.524 1.285 1.00 0.00 O ATOM 1612 CB SER A 100 15.149 -10.668 1.891 1.00 0.00 C ATOM 1613 OG SER A 100 15.839 -9.925 2.881 1.00 0.00 O ATOM 0 H SER A 100 13.671 -11.561 0.119 1.00 0.00 H new ATOM 0 HA SER A 100 13.329 -9.545 2.025 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.721 -11.565 2.338 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.850 -10.997 1.124 1.00 0.00 H new ATOM 0 HG SER A 100 16.542 -10.481 3.277 1.00 0.00 H new ATOM 1619 N ASP A 101 15.045 -8.666 -0.622 1.00 0.00 N ATOM 1620 CA ASP A 101 15.610 -7.524 -1.328 1.00 0.00 C ATOM 1621 C ASP A 101 14.505 -6.547 -1.713 1.00 0.00 C ATOM 1622 O ASP A 101 14.772 -5.441 -2.184 1.00 0.00 O ATOM 1623 CB ASP A 101 16.362 -7.988 -2.577 1.00 0.00 C ATOM 1624 CG ASP A 101 17.088 -6.854 -3.273 1.00 0.00 C ATOM 1625 OD1 ASP A 101 18.261 -6.598 -2.926 1.00 0.00 O ATOM 1626 OD2 ASP A 101 16.485 -6.220 -4.164 1.00 0.00 O ATOM 0 H ASP A 101 15.005 -9.525 -1.171 1.00 0.00 H new ATOM 0 HA ASP A 101 16.313 -7.019 -0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.081 -8.759 -2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.658 -8.445 -3.272 1.00 0.00 H new ATOM 1631 N GLU A 102 13.260 -6.968 -1.504 1.00 0.00 N ATOM 1632 CA GLU A 102 12.108 -6.146 -1.821 1.00 0.00 C ATOM 1633 C GLU A 102 11.729 -5.258 -0.652 1.00 0.00 C ATOM 1634 O GLU A 102 12.562 -4.937 0.195 1.00 0.00 O ATOM 1635 CB GLU A 102 10.930 -7.020 -2.194 1.00 0.00 C ATOM 1636 CG GLU A 102 11.152 -7.796 -3.469 1.00 0.00 C ATOM 1637 CD GLU A 102 12.022 -7.065 -4.475 1.00 0.00 C ATOM 1638 OE1 GLU A 102 11.472 -6.290 -5.285 1.00 0.00 O ATOM 1639 OE2 GLU A 102 13.254 -7.269 -4.453 1.00 0.00 O ATOM 0 H GLU A 102 13.028 -7.881 -1.113 1.00 0.00 H new ATOM 0 HA GLU A 102 12.374 -5.511 -2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.730 -7.718 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.043 -6.397 -2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.614 -8.753 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.187 -8.015 -3.925 1.00 0.00 H new ATOM 1646 N ILE A 103 10.460 -4.875 -0.610 1.00 0.00 N ATOM 1647 CA ILE A 103 9.959 -4.010 0.450 1.00 0.00 C ATOM 1648 C ILE A 103 8.500 -4.299 0.786 1.00 0.00 C ATOM 1649 O ILE A 103 7.593 -4.003 0.005 1.00 0.00 O ATOM 1650 CB ILE A 103 10.102 -2.518 0.065 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.570 -2.176 -0.210 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.514 -1.615 1.149 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.795 -0.797 -0.793 1.00 0.00 C ATOM 0 H ILE A 103 9.758 -5.150 -1.298 1.00 0.00 H new ATOM 0 HA ILE A 103 10.566 -4.221 1.331 1.00 0.00 H new ATOM 0 HB ILE A 103 9.537 -2.342 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.130 -2.258 0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 103 11.980 -2.918 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.627 -0.572 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.456 -1.843 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.039 -1.785 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.861 -0.640 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.267 -0.713 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.419 -0.044 -0.101 1.00 0.00 H new ATOM 1665 N GLU A 104 8.294 -4.891 1.957 1.00 0.00 N ATOM 1666 CA GLU A 104 6.964 -5.199 2.456 1.00 0.00 C ATOM 1667 C GLU A 104 6.328 -3.937 3.020 1.00 0.00 C ATOM 1668 O GLU A 104 6.743 -3.436 4.066 1.00 0.00 O ATOM 1669 CB GLU A 104 7.061 -6.259 3.547 1.00 0.00 C ATOM 1670 CG GLU A 104 5.783 -7.054 3.741 1.00 0.00 C ATOM 1671 CD GLU A 104 5.940 -8.175 4.751 1.00 0.00 C ATOM 1672 OE1 GLU A 104 5.768 -7.913 5.960 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.234 -9.314 4.331 1.00 0.00 O ATOM 0 H GLU A 104 9.047 -5.170 2.586 1.00 0.00 H new ATOM 0 HA GLU A 104 6.349 -5.579 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.872 -6.945 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.324 -5.776 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.989 -6.383 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.472 -7.473 2.784 1.00 0.00 H new ATOM 1680 N THR A 105 5.323 -3.428 2.327 1.00 0.00 N ATOM 1681 CA THR A 105 4.649 -2.210 2.746 1.00 0.00 C ATOM 1682 C THR A 105 3.211 -2.475 3.177 1.00 0.00 C ATOM 1683 O THR A 105 2.371 -2.862 2.365 1.00 0.00 O ATOM 1684 CB THR A 105 4.677 -1.173 1.609 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.007 -0.668 1.469 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.720 -0.019 1.867 1.00 0.00 C ATOM 0 H THR A 105 4.955 -3.840 1.470 1.00 0.00 H new ATOM 0 HA THR A 105 5.185 -1.818 3.610 1.00 0.00 H new ATOM 0 HB THR A 105 4.357 -1.668 0.692 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.139 -0.343 0.554 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.772 0.689 1.040 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.703 -0.402 1.953 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.998 0.484 2.793 1.00 0.00 H new ATOM 1694 N ILE A 106 2.938 -2.263 4.463 1.00 0.00 N ATOM 1695 CA ILE A 106 1.596 -2.469 4.999 1.00 0.00 C ATOM 1696 C ILE A 106 0.789 -1.184 4.937 1.00 0.00 C ATOM 1697 O ILE A 106 0.956 -0.292 5.770 1.00 0.00 O ATOM 1698 CB ILE A 106 1.612 -2.974 6.456 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.224 -4.375 6.534 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.196 -2.973 7.030 1.00 0.00 C ATOM 1701 CD1 ILE A 106 3.726 -4.397 6.343 1.00 0.00 C ATOM 0 H ILE A 106 3.625 -1.950 5.149 1.00 0.00 H new ATOM 0 HA ILE A 106 1.134 -3.235 4.376 1.00 0.00 H new ATOM 0 HB ILE A 106 2.229 -2.300 7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.984 -4.813 7.503 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.761 -5.006 5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.220 -3.332 8.059 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.205 -1.960 7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.439 -3.627 6.433 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.086 -5.423 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.974 -3.990 5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.200 -3.794 7.117 1.00 0.00 H new ATOM 1713 N ILE A 107 -0.082 -1.094 3.946 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.918 0.078 3.779 1.00 0.00 C ATOM 1715 C ILE A 107 -2.160 0.008 4.664 1.00 0.00 C ATOM 1716 O ILE A 107 -3.077 -0.769 4.399 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.341 0.238 2.319 1.00 0.00 C ATOM 1718 CG1 ILE A 107 -0.099 0.392 1.446 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.265 1.437 2.174 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.387 0.302 -0.031 1.00 0.00 C ATOM 0 H ILE A 107 -0.227 -1.821 3.245 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.326 0.943 4.079 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.886 -0.648 1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.368 1.354 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.622 -0.379 1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.562 1.544 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.152 1.289 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.745 2.339 2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.541 0.420 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.826 -0.670 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.084 1.090 -0.314 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.187 0.827 5.710 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.316 0.852 6.637 1.00 0.00 C ATOM 1734 C CYS A 108 -4.210 2.060 6.380 1.00 0.00 C ATOM 1735 O CYS A 108 -3.727 3.166 6.152 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.810 0.877 8.080 1.00 0.00 C ATOM 1737 SG CYS A 108 -4.094 1.212 9.309 1.00 0.00 S ATOM 0 H CYS A 108 -1.440 1.483 5.938 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.906 -0.051 6.477 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.346 -0.083 8.307 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.032 1.635 8.168 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.097 0.407 9.120 1.00 0.00 H new ATOM 1743 N THR A 109 -5.519 1.839 6.424 1.00 0.00 N ATOM 1744 CA THR A 109 -6.485 2.908 6.195 1.00 0.00 C ATOM 1745 C THR A 109 -6.490 3.914 7.339 1.00 0.00 C ATOM 1746 O THR A 109 -6.356 3.545 8.505 1.00 0.00 O ATOM 1747 CB THR A 109 -7.908 2.348 6.035 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.314 1.690 7.241 1.00 0.00 O ATOM 1749 CG2 THR A 109 -7.969 1.374 4.877 1.00 0.00 C ATOM 0 H THR A 109 -5.936 0.928 6.616 1.00 0.00 H new ATOM 0 HA THR A 109 -6.180 3.407 5.275 1.00 0.00 H new ATOM 0 HB THR A 109 -8.585 3.178 5.831 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.146 2.091 7.568 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.984 0.988 4.779 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.685 1.884 3.957 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.283 0.547 5.060 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.646 5.186 6.991 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.687 6.252 7.986 1.00 0.00 C ATOM 1759 C ASN A 110 -7.829 7.219 7.688 1.00 0.00 C ATOM 1760 O ASN A 110 -7.709 8.426 7.900 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.356 7.005 8.018 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.130 7.715 9.340 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -6.077 8.167 9.985 1.00 0.00 O ATOM 1764 ND2 ASN A 110 -3.873 7.813 9.756 1.00 0.00 N ATOM 0 H ASN A 110 -6.746 5.505 6.027 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.858 5.801 8.963 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.540 6.305 7.840 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.333 7.734 7.208 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.663 8.276 10.640 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.117 7.425 9.191 1.00 0.00 H new ATOM 1771 N THR A 111 -8.939 6.677 7.193 1.00 0.00 N ATOM 1772 CA THR A 111 -10.108 7.484 6.862 1.00 0.00 C ATOM 1773 C THR A 111 -11.376 6.883 7.457 1.00 0.00 C ATOM 1774 O THR A 111 -11.628 5.686 7.316 1.00 0.00 O ATOM 1775 CB THR A 111 -10.287 7.614 5.339 1.00 0.00 C ATOM 1776 OG1 THR A 111 -10.570 6.330 4.769 1.00 0.00 O ATOM 1777 CG2 THR A 111 -9.039 8.194 4.692 1.00 0.00 C ATOM 0 H THR A 111 -9.052 5.680 7.012 1.00 0.00 H new ATOM 0 HA THR A 111 -9.940 8.473 7.289 1.00 0.00 H new ATOM 0 HB THR A 111 -11.121 8.290 5.151 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.890 5.724 5.470 1.00 0.00 H new ATOM 0 HG21 THR A 111 -9.191 8.276 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.840 9.182 5.106 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.189 7.540 4.890 1.00 0.00 H new ATOM 1785 N ASN A 112 -12.171 7.723 8.120 1.00 0.00 N ATOM 1786 CA ASN A 112 -13.418 7.283 8.739 1.00 0.00 C ATOM 1787 C ASN A 112 -13.161 6.218 9.802 1.00 0.00 C ATOM 1788 O ASN A 112 -12.845 5.071 9.485 1.00 0.00 O ATOM 1789 CB ASN A 112 -14.380 6.742 7.677 1.00 0.00 C ATOM 1790 CG ASN A 112 -14.729 7.783 6.630 1.00 0.00 C ATOM 1791 OD1 ASN A 112 -14.762 8.980 6.914 1.00 0.00 O ATOM 1792 ND2 ASN A 112 -14.992 7.330 5.410 1.00 0.00 N ATOM 0 H ASN A 112 -11.971 8.716 8.242 1.00 0.00 H new ATOM 0 HA ASN A 112 -13.872 8.147 9.224 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.930 5.877 7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -15.294 6.396 8.160 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -15.233 7.983 4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -14.953 6.329 5.218 1.00 0.00 H new ATOM 1799 N VAL A 113 -13.305 6.605 11.065 1.00 0.00 N ATOM 1800 CA VAL A 113 -13.085 5.687 12.175 1.00 0.00 C ATOM 1801 C VAL A 113 -14.406 5.175 12.745 1.00 0.00 C ATOM 1802 O VAL A 113 -14.419 4.354 13.661 1.00 0.00 O ATOM 1803 CB VAL A 113 -12.278 6.354 13.305 1.00 0.00 C ATOM 1804 CG1 VAL A 113 -10.883 6.722 12.822 1.00 0.00 C ATOM 1805 CG2 VAL A 113 -13.006 7.582 13.832 1.00 0.00 C ATOM 0 H VAL A 113 -13.573 7.548 11.345 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.517 4.847 11.777 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.179 5.640 14.122 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.329 7.192 13.635 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.360 5.822 12.499 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.959 7.417 11.985 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.419 8.038 14.629 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -13.140 8.300 13.023 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -13.981 7.288 14.221 1.00 0.00 H new ATOM 1815 N LYS A 114 -15.515 5.665 12.196 1.00 0.00 N ATOM 1816 CA LYS A 114 -16.838 5.255 12.657 1.00 0.00 C ATOM 1817 C LYS A 114 -17.391 4.118 11.801 1.00 0.00 C ATOM 1818 O LYS A 114 -17.307 2.949 12.179 1.00 0.00 O ATOM 1819 CB LYS A 114 -17.803 6.444 12.631 1.00 0.00 C ATOM 1820 CG LYS A 114 -19.195 6.111 13.145 1.00 0.00 C ATOM 1821 CD LYS A 114 -20.139 7.297 13.020 1.00 0.00 C ATOM 1822 CE LYS A 114 -19.741 8.434 13.949 1.00 0.00 C ATOM 1823 NZ LYS A 114 -20.641 9.611 13.805 1.00 0.00 N ATOM 0 H LYS A 114 -15.524 6.344 11.435 1.00 0.00 H new ATOM 0 HA LYS A 114 -16.739 4.897 13.682 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -17.387 7.252 13.232 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -17.881 6.815 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -19.597 5.266 12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -19.134 5.803 14.189 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -20.142 7.653 11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -21.156 6.978 13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -19.764 8.084 14.981 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -18.715 8.734 13.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -20.336 10.363 14.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -20.600 9.961 12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -21.617 9.332 14.033 1.00 0.00 H new ATOM 1837 N ASN A 115 -17.952 4.468 10.647 1.00 0.00 N ATOM 1838 CA ASN A 115 -18.520 3.477 9.740 1.00 0.00 C ATOM 1839 C ASN A 115 -18.600 4.015 8.315 1.00 0.00 C ATOM 1840 O ASN A 115 -19.177 5.074 8.070 1.00 0.00 O ATOM 1841 CB ASN A 115 -19.911 3.055 10.213 1.00 0.00 C ATOM 1842 CG ASN A 115 -19.901 1.710 10.914 1.00 0.00 C ATOM 1843 OD1 ASN A 115 -19.733 1.631 12.131 1.00 0.00 O ATOM 1844 ND2 ASN A 115 -20.082 0.643 10.145 1.00 0.00 N ATOM 0 H ASN A 115 -18.025 5.431 10.318 1.00 0.00 H new ATOM 0 HA ASN A 115 -17.862 2.608 9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -20.306 3.812 10.891 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -20.585 3.010 9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -20.086 -0.289 10.559 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -20.218 0.756 9.140 1.00 0.00 H new ATOM 1851 N SER A 116 -18.017 3.271 7.381 1.00 0.00 N ATOM 1852 CA SER A 116 -18.018 3.657 5.975 1.00 0.00 C ATOM 1853 C SER A 116 -17.732 2.448 5.091 1.00 0.00 C ATOM 1854 O SER A 116 -17.617 1.326 5.585 1.00 0.00 O ATOM 1855 CB SER A 116 -16.975 4.747 5.719 1.00 0.00 C ATOM 1856 OG SER A 116 -17.270 5.923 6.454 1.00 0.00 O ATOM 0 H SER A 116 -17.535 2.393 7.574 1.00 0.00 H new ATOM 0 HA SER A 116 -19.005 4.049 5.729 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.987 4.380 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 116 -16.942 4.979 4.655 1.00 0.00 H new ATOM 0 HG SER A 116 -18.184 5.869 6.804 1.00 0.00 H new ATOM 1862 N SER A 117 -17.622 2.678 3.787 1.00 0.00 N ATOM 1863 CA SER A 117 -17.342 1.598 2.847 1.00 0.00 C ATOM 1864 C SER A 117 -16.050 0.884 3.232 1.00 0.00 C ATOM 1865 O SER A 117 -15.985 -0.345 3.245 1.00 0.00 O ATOM 1866 CB SER A 117 -17.244 2.144 1.422 1.00 0.00 C ATOM 1867 OG SER A 117 -17.067 1.094 0.485 1.00 0.00 O ATOM 0 H SER A 117 -17.722 3.598 3.358 1.00 0.00 H new ATOM 0 HA SER A 117 -18.162 0.881 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 117 -18.148 2.703 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 117 -16.410 2.842 1.353 1.00 0.00 H new ATOM 0 HG SER A 117 -17.008 1.468 -0.419 1.00 0.00 H new ATOM 1873 N GLN A 118 -15.022 1.671 3.545 1.00 0.00 N ATOM 1874 CA GLN A 118 -13.731 1.126 3.948 1.00 0.00 C ATOM 1875 C GLN A 118 -13.666 1.003 5.468 1.00 0.00 C ATOM 1876 O GLN A 118 -14.678 1.147 6.152 1.00 0.00 O ATOM 1877 CB GLN A 118 -12.592 2.018 3.448 1.00 0.00 C ATOM 1878 CG GLN A 118 -12.322 1.896 1.956 1.00 0.00 C ATOM 1879 CD GLN A 118 -13.512 2.292 1.106 1.00 0.00 C ATOM 1880 OE1 GLN A 118 -13.681 3.461 0.758 1.00 0.00 O ATOM 1881 NE2 GLN A 118 -14.343 1.316 0.760 1.00 0.00 N ATOM 0 H GLN A 118 -15.060 2.690 3.527 1.00 0.00 H new ATOM 0 HA GLN A 118 -13.620 0.137 3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.828 3.056 3.681 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -11.682 1.768 3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -11.470 2.523 1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.044 0.868 1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.165 0.361 1.070 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.159 1.521 0.184 1.00 0.00 H new ATOM 1890 N GLU A 119 -12.473 0.736 5.992 1.00 0.00 N ATOM 1891 CA GLU A 119 -12.295 0.602 7.435 1.00 0.00 C ATOM 1892 C GLU A 119 -12.129 1.973 8.084 1.00 0.00 C ATOM 1893 O GLU A 119 -10.989 2.483 8.106 1.00 0.00 O ATOM 1894 CB GLU A 119 -11.083 -0.279 7.747 1.00 0.00 C ATOM 1895 CG GLU A 119 -11.031 -0.769 9.188 1.00 0.00 C ATOM 1896 CD GLU A 119 -10.732 0.341 10.178 1.00 0.00 C ATOM 1897 OE1 GLU A 119 -9.544 0.696 10.332 1.00 0.00 O ATOM 1898 OE2 GLU A 119 -11.686 0.855 10.799 1.00 0.00 O ATOM 1899 OXT GLU A 119 -13.142 2.523 8.567 1.00 0.00 O ATOM 0 H GLU A 119 -11.622 0.609 5.445 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.186 0.128 7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.092 -1.141 7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.173 0.282 7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.985 -1.231 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -10.268 -1.543 9.276 1.00 0.00 H new TER 1906 GLU A 119