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 116 SER OG : rot -126:sc= 0.23 USER MOD Set 1.2: A 118 GLN : amide:sc= -5.2! C(o=-5!,f=-8.8!) USER MOD Set 2.1: A 75 MET CE :methyl 175:sc= -3.37 (180deg=-2.74) USER MOD Set 2.2: A 110 ASN : amide:sc= -2.18 X(o=-5.6,f=-5.4!) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -3.26! C(o=-2.7!,f=-20!) USER MOD Set 3.2: A 60 SER OG : rot -159:sc= -0.0703 USER MOD Set 3.3: A 90 THR OG1 : rot 114:sc= -2! USER MOD Set 3.4: A 92 SER OG : rot -154:sc= 1.3! USER MOD Set 3.5: A 105 THR OG1 : rot 156:sc= 1.31 USER MOD Set 4.1: A 3 MET CE :methyl -124:sc= -1.73 (180deg=-2.9!) USER MOD Set 4.2: A 36 GLN : amide:sc= -0.156 K(o=-1.9,f=-0.75) USER MOD Set 4.3: A 38 GLN : amide:sc= -0.0149 K(o=-1.9,f=-0.96) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -5.48! C(o=-5.5!,f=-3.1!) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.0013) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -133:sc= -2.93! USER MOD Single : A 17 ASN : amide:sc= -4.53 K(o=-4.5,f=-17!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.265 K(o=-0.27,f=-1.4!) USER MOD Single : A 29 CYS SG : rot 73:sc= -2.79 USER MOD Single : A 32 THR OG1 : rot 69:sc= 0.631 USER MOD Single : A 35 TYR OH : rot 114:sc= 0.3 USER MOD Single : A 43 LYS NZ :NH3+ -115:sc= -0.275 (180deg=-1.67!) USER MOD Single : A 44 ASN : amide:sc= -3.62! C(o=-3.6!,f=-6!) USER MOD Single : A 49 CYS SG : rot -56:sc= -2.05 USER MOD Single : A 50 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-6.3!) USER MOD Single : A 54 GLN : amide:sc= -2.19! C(o=-2.2!,f=-7.1!) USER MOD Single : A 55 GLN : amide:sc= 0.0197 X(o=0.02,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.06) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= -0.547 (180deg=-1.76) USER MOD Single : A 70 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.7!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 55:sc= -3.89! USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= -0.0625 (180deg=-0.214) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -1.05 X(o=-1.1,f=-0.96) USER MOD Single : A 88 MET CE :methyl 133:sc= -8.27! (180deg=-11.6!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -2! K(o=-2!,f=-0.062) USER MOD Single : A 94 THR OG1 : rot 4:sc= 0.606 USER MOD Single : A 96 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.1) USER MOD Single : A 97 ASN : amide:sc= -3.05! C(o=-3.1!,f=-2.7!) 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 39:sc= 1.16 USER MOD Single : A 109 THR OG1 : rot 108:sc= 0.389 USER MOD Single : A 111 THR OG1 : rot 1:sc= 0.729 USER MOD Single : A 112 ASN : amide:sc= -1.19 K(o=-1.2,f=-6.8!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 117 SER OG : rot 180:sc= 0.369 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.143 -19.367 -9.590 1.00 0.00 N ATOM 2 CA GLY A 1 -8.537 -18.021 -9.090 1.00 0.00 C ATOM 3 C GLY A 1 -7.880 -17.678 -7.767 1.00 0.00 C ATOM 4 O GLY A 1 -7.173 -16.675 -7.662 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.618 -19.554 -10.496 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.113 -19.399 -9.727 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.423 -20.090 -8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.268 -17.269 -9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.620 -17.982 -8.975 1.00 0.00 H new ATOM 10 N ALA A 2 -8.117 -18.512 -6.758 1.00 0.00 N ATOM 11 CA ALA A 2 -7.548 -18.297 -5.432 1.00 0.00 C ATOM 12 C ALA A 2 -7.919 -16.920 -4.892 1.00 0.00 C ATOM 13 O ALA A 2 -7.053 -16.072 -4.674 1.00 0.00 O ATOM 14 CB ALA A 2 -6.036 -18.465 -5.473 1.00 0.00 C ATOM 0 H ALA A 2 -8.701 -19.345 -6.835 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.965 -19.045 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.625 -18.302 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.791 -19.474 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.608 -17.740 -6.166 1.00 0.00 H new ATOM 20 N MET A 3 -9.214 -16.704 -4.677 1.00 0.00 N ATOM 21 CA MET A 3 -9.702 -15.429 -4.165 1.00 0.00 C ATOM 22 C MET A 3 -10.620 -15.641 -2.966 1.00 0.00 C ATOM 23 O MET A 3 -11.509 -16.493 -2.998 1.00 0.00 O ATOM 24 CB MET A 3 -10.447 -14.668 -5.263 1.00 0.00 C ATOM 25 CG MET A 3 -9.622 -14.457 -6.522 1.00 0.00 C ATOM 26 SD MET A 3 -8.135 -13.483 -6.221 1.00 0.00 S ATOM 27 CE MET A 3 -8.850 -11.922 -5.709 1.00 0.00 C ATOM 0 H MET A 3 -9.943 -17.396 -4.850 1.00 0.00 H new ATOM 0 HA MET A 3 -8.842 -14.841 -3.843 1.00 0.00 H new ATOM 0 HB2 MET A 3 -11.355 -15.214 -5.520 1.00 0.00 H new ATOM 0 HB3 MET A 3 -10.758 -13.698 -4.875 1.00 0.00 H new ATOM 0 HG2 MET A 3 -9.340 -15.426 -6.934 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.233 -13.957 -7.273 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.476 -11.123 -6.349 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.936 -11.975 -5.791 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.574 -11.717 -4.675 1.00 0.00 H new ATOM 37 N ASP A 4 -10.400 -14.862 -1.911 1.00 0.00 N ATOM 38 CA ASP A 4 -11.211 -14.968 -0.702 1.00 0.00 C ATOM 39 C ASP A 4 -11.397 -13.600 -0.050 1.00 0.00 C ATOM 40 O ASP A 4 -10.866 -13.338 1.029 1.00 0.00 O ATOM 41 CB ASP A 4 -10.565 -15.937 0.291 1.00 0.00 C ATOM 42 CG ASP A 4 -10.439 -17.341 -0.267 1.00 0.00 C ATOM 43 OD1 ASP A 4 -9.399 -17.642 -0.890 1.00 0.00 O ATOM 44 OD2 ASP A 4 -11.380 -18.141 -0.079 1.00 0.00 O ATOM 0 H ASP A 4 -9.669 -14.152 -1.868 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.191 -15.352 -0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.576 -15.568 0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.158 -15.965 1.205 1.00 0.00 H new ATOM 49 N ASN A 5 -12.155 -12.732 -0.715 1.00 0.00 N ATOM 50 CA ASN A 5 -12.418 -11.393 -0.200 1.00 0.00 C ATOM 51 C ASN A 5 -13.039 -11.461 1.193 1.00 0.00 C ATOM 52 O ASN A 5 -13.957 -12.246 1.436 1.00 0.00 O ATOM 53 CB ASN A 5 -13.345 -10.633 -1.151 1.00 0.00 C ATOM 54 CG ASN A 5 -12.756 -10.474 -2.542 1.00 0.00 C ATOM 55 OD1 ASN A 5 -13.481 -10.476 -3.536 1.00 0.00 O ATOM 56 ND2 ASN A 5 -11.437 -10.326 -2.619 1.00 0.00 N ATOM 0 H ASN A 5 -12.598 -12.933 -1.612 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.469 -10.862 -0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -14.297 -11.160 -1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -13.556 -9.648 -0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.989 -10.208 -3.528 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.873 -10.330 -1.769 1.00 0.00 H new ATOM 63 N VAL A 6 -12.533 -10.636 2.106 1.00 0.00 N ATOM 64 CA VAL A 6 -13.033 -10.609 3.478 1.00 0.00 C ATOM 65 C VAL A 6 -14.107 -9.542 3.662 1.00 0.00 C ATOM 66 O VAL A 6 -14.445 -8.819 2.725 1.00 0.00 O ATOM 67 CB VAL A 6 -11.896 -10.348 4.485 1.00 0.00 C ATOM 68 CG1 VAL A 6 -10.873 -11.472 4.441 1.00 0.00 C ATOM 69 CG2 VAL A 6 -11.236 -9.006 4.208 1.00 0.00 C ATOM 0 H VAL A 6 -11.777 -9.977 1.921 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.467 -11.591 3.669 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.324 -10.318 5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.078 -11.269 5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.358 -12.415 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.448 -11.539 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.436 -8.839 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.822 -9.005 3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.976 -8.211 4.297 1.00 0.00 H new ATOM 79 N CYS A 7 -14.640 -9.452 4.878 1.00 0.00 N ATOM 80 CA CYS A 7 -15.673 -8.472 5.190 1.00 0.00 C ATOM 81 C CYS A 7 -15.090 -7.063 5.219 1.00 0.00 C ATOM 82 O CYS A 7 -15.279 -6.286 4.282 1.00 0.00 O ATOM 83 CB CYS A 7 -16.327 -8.795 6.534 1.00 0.00 C ATOM 84 SG CYS A 7 -17.159 -10.399 6.584 1.00 0.00 S ATOM 0 H CYS A 7 -14.373 -10.047 5.662 1.00 0.00 H new ATOM 0 HA CYS A 7 -16.431 -8.518 4.408 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -15.564 -8.769 7.312 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -17.051 -8.015 6.770 1.00 0.00 H new ATOM 0 HG CYS A 7 -17.678 -10.582 7.762 1.00 0.00 H new ATOM 90 N GLN A 8 -14.381 -6.738 6.297 1.00 0.00 N ATOM 91 CA GLN A 8 -13.767 -5.422 6.435 1.00 0.00 C ATOM 92 C GLN A 8 -12.257 -5.541 6.627 1.00 0.00 C ATOM 93 O GLN A 8 -11.766 -6.531 7.167 1.00 0.00 O ATOM 94 CB GLN A 8 -14.382 -4.658 7.601 1.00 0.00 C ATOM 95 CG GLN A 8 -15.895 -4.538 7.519 1.00 0.00 C ATOM 96 CD GLN A 8 -16.495 -3.802 8.702 1.00 0.00 C ATOM 97 OE1 GLN A 8 -17.513 -3.122 8.571 1.00 0.00 O ATOM 98 NE2 GLN A 8 -15.870 -3.937 9.866 1.00 0.00 N ATOM 0 H GLN A 8 -14.218 -7.366 7.084 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.957 -4.869 5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.115 -5.157 8.533 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.948 -3.659 7.639 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.164 -4.017 6.600 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.331 -5.535 7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.029 -4.510 9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.231 -3.467 10.696 1.00 0.00 H new ATOM 107 N PRO A 9 -11.503 -4.522 6.181 1.00 0.00 N ATOM 108 CA PRO A 9 -10.044 -4.497 6.272 1.00 0.00 C ATOM 109 C PRO A 9 -9.505 -3.851 7.545 1.00 0.00 C ATOM 110 O PRO A 9 -10.188 -3.762 8.566 1.00 0.00 O ATOM 111 CB PRO A 9 -9.685 -3.628 5.083 1.00 0.00 C ATOM 112 CG PRO A 9 -10.759 -2.601 5.073 1.00 0.00 C ATOM 113 CD PRO A 9 -12.013 -3.304 5.527 1.00 0.00 C ATOM 0 HA PRO A 9 -9.625 -5.503 6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.699 -3.178 5.197 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.668 -4.201 4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.513 -1.773 5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.887 -2.181 4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.591 -2.689 6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.667 -3.542 4.688 1.00 0.00 H new ATOM 121 N THR A 10 -8.258 -3.400 7.442 1.00 0.00 N ATOM 122 CA THR A 10 -7.542 -2.742 8.527 1.00 0.00 C ATOM 123 C THR A 10 -6.150 -2.365 8.034 1.00 0.00 C ATOM 124 O THR A 10 -5.667 -1.255 8.250 1.00 0.00 O ATOM 125 CB THR A 10 -7.423 -3.647 9.769 1.00 0.00 C ATOM 126 OG1 THR A 10 -6.518 -3.069 10.716 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.947 -5.037 9.387 1.00 0.00 C ATOM 0 H THR A 10 -7.709 -3.484 6.587 1.00 0.00 H new ATOM 0 HA THR A 10 -8.102 -1.854 8.821 1.00 0.00 H new ATOM 0 HB THR A 10 -8.412 -3.733 10.220 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.451 -3.651 11.502 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.872 -5.655 10.282 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.658 -5.487 8.694 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.969 -4.969 8.910 1.00 0.00 H new ATOM 135 N GLU A 11 -5.522 -3.326 7.370 1.00 0.00 N ATOM 136 CA GLU A 11 -4.198 -3.165 6.785 1.00 0.00 C ATOM 137 C GLU A 11 -3.917 -4.348 5.884 1.00 0.00 C ATOM 138 O GLU A 11 -4.205 -5.491 6.241 1.00 0.00 O ATOM 139 CB GLU A 11 -3.119 -3.057 7.854 1.00 0.00 C ATOM 140 CG GLU A 11 -3.086 -4.241 8.797 1.00 0.00 C ATOM 141 CD GLU A 11 -1.987 -4.136 9.836 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.190 -3.429 10.845 1.00 0.00 O ATOM 143 OE2 GLU A 11 -0.923 -4.760 9.639 1.00 0.00 O ATOM 0 H GLU A 11 -5.923 -4.252 7.221 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.181 -2.238 6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.147 -2.960 7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.280 -2.147 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.049 -4.325 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.948 -5.155 8.220 1.00 0.00 H new ATOM 150 N PHE A 12 -3.359 -4.084 4.719 1.00 0.00 N ATOM 151 CA PHE A 12 -3.057 -5.157 3.791 1.00 0.00 C ATOM 152 C PHE A 12 -1.580 -5.155 3.449 1.00 0.00 C ATOM 153 O PHE A 12 -1.010 -4.130 3.076 1.00 0.00 O ATOM 154 CB PHE A 12 -3.939 -5.082 2.535 1.00 0.00 C ATOM 155 CG PHE A 12 -3.557 -4.035 1.527 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.615 -4.311 0.550 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.163 -2.788 1.534 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.282 -3.365 -0.397 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.837 -1.839 0.585 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.894 -2.129 -0.382 1.00 0.00 C ATOM 0 H PHE A 12 -3.108 -3.150 4.395 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.288 -6.106 4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.922 -6.055 2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.967 -4.900 2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.135 -5.278 0.529 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.898 -2.556 2.290 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.542 -3.592 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.318 -0.872 0.599 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.636 -1.389 -1.125 1.00 0.00 H new ATOM 170 N ILE A 13 -0.967 -6.315 3.601 1.00 0.00 N ATOM 171 CA ILE A 13 0.449 -6.466 3.347 1.00 0.00 C ATOM 172 C ILE A 13 0.745 -6.631 1.868 1.00 0.00 C ATOM 173 O ILE A 13 0.479 -7.678 1.285 1.00 0.00 O ATOM 174 CB ILE A 13 1.020 -7.679 4.097 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.619 -7.634 5.572 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.529 -7.714 3.948 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.509 -9.003 6.203 1.00 0.00 C ATOM 0 H ILE A 13 -1.434 -7.170 3.901 1.00 0.00 H new ATOM 0 HA ILE A 13 0.923 -5.552 3.705 1.00 0.00 H new ATOM 0 HB ILE A 13 0.607 -8.590 3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.352 -7.045 6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.338 -7.120 5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.927 -8.577 4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.789 -7.789 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.957 -6.801 4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.221 -8.899 7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.245 -9.587 5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.471 -9.511 6.140 1.00 0.00 H new ATOM 189 N SER A 14 1.294 -5.591 1.266 1.00 0.00 N ATOM 190 CA SER A 14 1.654 -5.639 -0.138 1.00 0.00 C ATOM 191 C SER A 14 3.144 -5.427 -0.285 1.00 0.00 C ATOM 192 O SER A 14 3.699 -4.447 0.209 1.00 0.00 O ATOM 193 CB SER A 14 0.894 -4.572 -0.924 1.00 0.00 C ATOM 194 OG SER A 14 0.647 -4.997 -2.249 1.00 0.00 O ATOM 0 H SER A 14 1.500 -4.705 1.727 1.00 0.00 H new ATOM 0 HA SER A 14 1.385 -6.617 -0.538 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.051 -4.353 -0.427 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.469 -3.646 -0.937 1.00 0.00 H new ATOM 0 HG SER A 14 0.884 -4.279 -2.872 1.00 0.00 H new ATOM 200 N ARG A 15 3.783 -6.354 -0.971 1.00 0.00 N ATOM 201 CA ARG A 15 5.201 -6.277 -1.211 1.00 0.00 C ATOM 202 C ARG A 15 5.421 -5.624 -2.553 1.00 0.00 C ATOM 203 O ARG A 15 4.510 -5.592 -3.378 1.00 0.00 O ATOM 204 CB ARG A 15 5.828 -7.667 -1.169 1.00 0.00 C ATOM 205 CG ARG A 15 5.965 -8.220 0.238 1.00 0.00 C ATOM 206 CD ARG A 15 6.587 -9.605 0.241 1.00 0.00 C ATOM 207 NE ARG A 15 5.656 -10.624 -0.235 1.00 0.00 N ATOM 208 CZ ARG A 15 5.169 -11.594 0.535 1.00 0.00 C ATOM 209 NH1 ARG A 15 5.511 -11.665 1.814 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.337 -12.492 0.026 1.00 0.00 N ATOM 0 H ARG A 15 3.332 -7.176 -1.374 1.00 0.00 H new ATOM 0 HA ARG A 15 5.679 -5.682 -0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.221 -8.350 -1.763 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.813 -7.628 -1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.578 -7.545 0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.983 -8.261 0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.477 -9.604 -0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.912 -9.854 1.251 1.00 0.00 H new ATOM 0 HE ARG A 15 5.363 -10.591 -1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.149 -10.975 2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.136 -12.410 2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.069 -12.440 -0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.964 -13.235 0.617 1.00 0.00 H new ATOM 224 N HIS A 16 6.607 -5.096 -2.776 1.00 0.00 N ATOM 225 CA HIS A 16 6.891 -4.422 -4.027 1.00 0.00 C ATOM 226 C HIS A 16 8.365 -4.080 -4.146 1.00 0.00 C ATOM 227 O HIS A 16 9.140 -4.289 -3.215 1.00 0.00 O ATOM 228 CB HIS A 16 6.072 -3.137 -4.092 1.00 0.00 C ATOM 229 CG HIS A 16 6.361 -2.216 -2.955 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.616 -1.707 -2.715 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.565 -1.730 -1.972 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.585 -0.951 -1.641 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.352 -0.945 -1.171 1.00 0.00 N ATOM 0 H HIS A 16 7.383 -5.119 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 16 6.628 -5.089 -4.848 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.280 -2.625 -5.032 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.011 -3.386 -4.093 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.443 -1.889 -3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.510 -1.925 -1.844 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.426 -0.424 -1.215 1.00 0.00 H new ATOM 242 N ASN A 17 8.746 -3.547 -5.297 1.00 0.00 N ATOM 243 CA ASN A 17 10.123 -3.138 -5.520 1.00 0.00 C ATOM 244 C ASN A 17 10.291 -1.704 -5.041 1.00 0.00 C ATOM 245 O ASN A 17 9.318 -1.072 -4.638 1.00 0.00 O ATOM 246 CB ASN A 17 10.495 -3.255 -7.000 1.00 0.00 C ATOM 247 CG ASN A 17 9.512 -2.542 -7.907 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.768 -1.666 -7.470 1.00 0.00 O ATOM 249 ND2 ASN A 17 9.515 -2.907 -9.183 1.00 0.00 N ATOM 0 H ASN A 17 8.123 -3.388 -6.089 1.00 0.00 H new ATOM 0 HA ASN A 17 10.789 -3.794 -4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.492 -2.841 -7.154 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.541 -4.308 -7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.883 -2.456 -9.844 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.149 -3.639 -9.503 1.00 0.00 H new ATOM 256 N ILE A 18 11.507 -1.186 -5.077 1.00 0.00 N ATOM 257 CA ILE A 18 11.740 0.181 -4.630 1.00 0.00 C ATOM 258 C ILE A 18 10.771 1.145 -5.314 1.00 0.00 C ATOM 259 O ILE A 18 10.296 2.104 -4.705 1.00 0.00 O ATOM 260 CB ILE A 18 13.175 0.641 -4.913 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.404 2.030 -4.312 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.433 0.644 -6.413 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.206 2.082 -2.813 1.00 0.00 C ATOM 0 H ILE A 18 12.337 -1.680 -5.405 1.00 0.00 H new ATOM 0 HA ILE A 18 11.577 0.190 -3.552 1.00 0.00 H new ATOM 0 HB ILE A 18 13.876 -0.052 -4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.417 2.356 -4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.723 2.738 -4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.454 0.972 -6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.294 -0.362 -6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.735 1.325 -6.901 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.385 3.097 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.185 1.787 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.905 1.400 -2.330 1.00 0.00 H new ATOM 275 N GLU A 19 10.483 0.873 -6.585 1.00 0.00 N ATOM 276 CA GLU A 19 9.565 1.705 -7.363 1.00 0.00 C ATOM 277 C GLU A 19 8.207 1.743 -6.698 1.00 0.00 C ATOM 278 O GLU A 19 7.500 2.750 -6.733 1.00 0.00 O ATOM 279 CB GLU A 19 9.374 1.133 -8.770 1.00 0.00 C ATOM 280 CG GLU A 19 10.450 1.509 -9.765 1.00 0.00 C ATOM 281 CD GLU A 19 10.691 3.005 -9.835 1.00 0.00 C ATOM 282 OE1 GLU A 19 9.979 3.685 -10.604 1.00 0.00 O ATOM 283 OE2 GLU A 19 11.589 3.495 -9.119 1.00 0.00 O ATOM 0 H GLU A 19 10.872 0.083 -7.099 1.00 0.00 H new ATOM 0 HA GLU A 19 9.996 2.705 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.328 0.046 -8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.411 1.469 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.380 1.008 -9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.168 1.145 -10.753 1.00 0.00 H new ATOM 290 N GLY A 20 7.863 0.626 -6.084 1.00 0.00 N ATOM 291 CA GLY A 20 6.583 0.498 -5.432 1.00 0.00 C ATOM 292 C GLY A 20 5.724 -0.543 -6.116 1.00 0.00 C ATOM 293 O GLY A 20 4.664 -0.914 -5.612 1.00 0.00 O ATOM 0 H GLY A 20 8.455 -0.202 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.730 0.223 -4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.070 1.460 -5.440 1.00 0.00 H new ATOM 297 N ILE A 21 6.187 -1.012 -7.278 1.00 0.00 N ATOM 298 CA ILE A 21 5.477 -2.025 -8.033 1.00 0.00 C ATOM 299 C ILE A 21 5.223 -3.245 -7.173 1.00 0.00 C ATOM 300 O ILE A 21 6.150 -3.958 -6.796 1.00 0.00 O ATOM 301 CB ILE A 21 6.265 -2.457 -9.263 1.00 0.00 C ATOM 302 CG1 ILE A 21 6.821 -1.224 -9.993 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.370 -3.307 -10.149 1.00 0.00 C ATOM 304 CD1 ILE A 21 5.792 -0.418 -10.752 1.00 0.00 C ATOM 0 H ILE A 21 7.056 -0.699 -7.711 1.00 0.00 H new ATOM 0 HA ILE A 21 4.531 -1.585 -8.350 1.00 0.00 H new ATOM 0 HB ILE A 21 7.123 -3.064 -8.974 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.304 -0.575 -9.263 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.593 -1.550 -10.690 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.925 -3.621 -11.033 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.040 -4.186 -9.596 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.501 -2.724 -10.455 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.278 0.431 -11.234 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.324 -1.046 -11.510 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.031 -0.056 -10.061 1.00 0.00 H new ATOM 316 N PHE A 22 3.958 -3.502 -6.918 1.00 0.00 N ATOM 317 CA PHE A 22 3.547 -4.597 -6.063 1.00 0.00 C ATOM 318 C PHE A 22 3.989 -5.964 -6.564 1.00 0.00 C ATOM 319 O PHE A 22 3.437 -6.501 -7.520 1.00 0.00 O ATOM 320 CB PHE A 22 2.038 -4.575 -5.923 1.00 0.00 C ATOM 321 CG PHE A 22 1.529 -3.483 -5.020 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.201 -3.137 -3.856 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.368 -2.809 -5.338 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.713 -2.134 -3.036 1.00 0.00 C ATOM 325 CE2 PHE A 22 -0.122 -1.815 -4.525 1.00 0.00 C ATOM 326 CZ PHE A 22 0.547 -1.475 -3.376 1.00 0.00 C ATOM 0 H PHE A 22 3.184 -2.957 -7.298 1.00 0.00 H new ATOM 0 HA PHE A 22 4.037 -4.448 -5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.592 -4.455 -6.910 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.704 -5.538 -5.537 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.111 -3.654 -3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.165 -3.067 -6.241 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.242 -1.867 -2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.034 -1.301 -4.791 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.162 -0.693 -2.738 1.00 0.00 H new ATOM 336 N THR A 23 4.987 -6.525 -5.899 1.00 0.00 N ATOM 337 CA THR A 23 5.467 -7.851 -6.225 1.00 0.00 C ATOM 338 C THR A 23 4.601 -8.869 -5.490 1.00 0.00 C ATOM 339 O THR A 23 4.756 -10.081 -5.644 1.00 0.00 O ATOM 340 CB THR A 23 6.943 -8.024 -5.834 1.00 0.00 C ATOM 341 OG1 THR A 23 7.101 -7.873 -4.417 1.00 0.00 O ATOM 342 CG2 THR A 23 7.797 -6.995 -6.560 1.00 0.00 C ATOM 0 H THR A 23 5.480 -6.077 -5.127 1.00 0.00 H new ATOM 0 HA THR A 23 5.399 -8.003 -7.302 1.00 0.00 H new ATOM 0 HB THR A 23 7.266 -9.024 -6.121 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.045 -7.987 -4.179 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.842 -7.125 -6.277 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.693 -7.130 -7.637 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.469 -5.992 -6.287 1.00 0.00 H new ATOM 350 N PHE A 24 3.683 -8.330 -4.685 1.00 0.00 N ATOM 351 CA PHE A 24 2.739 -9.118 -3.902 1.00 0.00 C ATOM 352 C PHE A 24 1.732 -8.193 -3.227 1.00 0.00 C ATOM 353 O PHE A 24 2.050 -7.059 -2.891 1.00 0.00 O ATOM 354 CB PHE A 24 3.453 -9.959 -2.839 1.00 0.00 C ATOM 355 CG PHE A 24 2.521 -10.514 -1.789 1.00 0.00 C ATOM 356 CD1 PHE A 24 1.905 -11.742 -1.970 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.249 -9.798 -0.630 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.039 -12.246 -1.016 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.381 -10.297 0.324 1.00 0.00 C ATOM 360 CZ PHE A 24 0.776 -11.522 0.132 1.00 0.00 C ATOM 0 H PHE A 24 3.576 -7.323 -4.560 1.00 0.00 H new ATOM 0 HA PHE A 24 2.225 -9.797 -4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.971 -10.784 -3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.213 -9.348 -2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.103 -12.312 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.721 -8.840 -0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.568 -13.206 -1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.177 -9.728 1.219 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.099 -11.914 0.876 1.00 0.00 H new ATOM 370 N VAL A 25 0.506 -8.671 -3.072 1.00 0.00 N ATOM 371 CA VAL A 25 -0.545 -7.912 -2.411 1.00 0.00 C ATOM 372 C VAL A 25 -1.438 -8.856 -1.632 1.00 0.00 C ATOM 373 O VAL A 25 -1.938 -9.846 -2.162 1.00 0.00 O ATOM 374 CB VAL A 25 -1.406 -7.096 -3.400 1.00 0.00 C ATOM 375 CG1 VAL A 25 -2.152 -5.993 -2.675 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.564 -6.519 -4.520 1.00 0.00 C ATOM 0 H VAL A 25 0.213 -9.592 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.056 -7.203 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.133 -7.775 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.753 -5.430 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.803 -6.431 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.437 -5.325 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.201 -5.951 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.198 -5.862 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.083 -7.329 -5.068 1.00 0.00 H new ATOM 386 N ASP A 26 -1.601 -8.557 -0.361 1.00 0.00 N ATOM 387 CA ASP A 26 -2.427 -9.361 0.517 1.00 0.00 C ATOM 388 C ASP A 26 -3.909 -9.131 0.198 1.00 0.00 C ATOM 389 O ASP A 26 -4.343 -7.996 0.010 1.00 0.00 O ATOM 390 CB ASP A 26 -2.073 -9.015 1.958 1.00 0.00 C ATOM 391 CG ASP A 26 -3.101 -9.495 2.962 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.297 -10.723 3.069 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.703 -8.644 3.644 1.00 0.00 O ATOM 0 H ASP A 26 -1.167 -7.753 0.092 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.240 -10.424 0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.105 -9.454 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.965 -7.934 2.048 1.00 0.00 H new ATOM 398 N HIS A 27 -4.670 -10.226 0.129 1.00 0.00 N ATOM 399 CA HIS A 27 -6.097 -10.189 -0.229 1.00 0.00 C ATOM 400 C HIS A 27 -6.922 -9.174 0.569 1.00 0.00 C ATOM 401 O HIS A 27 -8.061 -8.893 0.206 1.00 0.00 O ATOM 402 CB HIS A 27 -6.709 -11.584 -0.093 1.00 0.00 C ATOM 403 CG HIS A 27 -6.946 -12.012 1.323 1.00 0.00 C ATOM 404 ND1 HIS A 27 -8.115 -12.613 1.740 1.00 0.00 N ATOM 405 CD2 HIS A 27 -6.156 -11.933 2.419 1.00 0.00 C ATOM 406 CE1 HIS A 27 -8.033 -12.885 3.030 1.00 0.00 C ATOM 407 NE2 HIS A 27 -6.855 -12.483 3.466 1.00 0.00 N ATOM 0 H HIS A 27 -4.318 -11.164 0.319 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.135 -9.855 -1.266 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.656 -11.608 -0.632 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.050 -12.307 -0.574 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -8.918 -12.816 1.145 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.161 -11.515 2.462 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.800 -13.356 3.626 1.00 0.00 H new ATOM 416 N ARG A 28 -6.375 -8.635 1.648 1.00 0.00 N ATOM 417 CA ARG A 28 -7.104 -7.645 2.439 1.00 0.00 C ATOM 418 C ARG A 28 -7.304 -6.371 1.625 1.00 0.00 C ATOM 419 O ARG A 28 -8.239 -5.603 1.853 1.00 0.00 O ATOM 420 CB ARG A 28 -6.354 -7.327 3.727 1.00 0.00 C ATOM 421 CG ARG A 28 -6.516 -8.393 4.795 1.00 0.00 C ATOM 422 CD ARG A 28 -7.738 -8.136 5.660 1.00 0.00 C ATOM 423 NE ARG A 28 -7.773 -9.019 6.824 1.00 0.00 N ATOM 424 CZ ARG A 28 -8.825 -9.141 7.629 1.00 0.00 C ATOM 425 NH1 ARG A 28 -9.928 -8.446 7.394 1.00 0.00 N ATOM 426 NH2 ARG A 28 -8.773 -9.962 8.669 1.00 0.00 N ATOM 0 H ARG A 28 -5.443 -8.859 1.996 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.078 -8.060 2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.294 -7.206 3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.707 -6.373 4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.603 -9.372 4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.625 -8.419 5.422 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.737 -7.098 5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.641 -8.281 5.066 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.943 -9.574 7.031 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.972 -7.815 6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.733 -8.542 8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.926 -10.500 8.852 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.580 -10.055 9.286 1.00 0.00 H new ATOM 440 N CYS A 29 -6.403 -6.173 0.673 1.00 0.00 N ATOM 441 CA CYS A 29 -6.397 -5.011 -0.198 1.00 0.00 C ATOM 442 C CYS A 29 -7.738 -4.743 -0.881 1.00 0.00 C ATOM 443 O CYS A 29 -8.021 -3.608 -1.240 1.00 0.00 O ATOM 444 CB CYS A 29 -5.321 -5.202 -1.256 1.00 0.00 C ATOM 445 SG CYS A 29 -5.606 -6.615 -2.341 1.00 0.00 S ATOM 0 H CYS A 29 -5.644 -6.827 0.483 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.196 -4.143 0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.256 -4.298 -1.862 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.357 -5.324 -0.762 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.577 -6.343 -3.161 1.00 0.00 H new ATOM 451 N VAL A 30 -8.555 -5.763 -1.095 1.00 0.00 N ATOM 452 CA VAL A 30 -9.837 -5.538 -1.757 1.00 0.00 C ATOM 453 C VAL A 30 -10.844 -4.912 -0.792 1.00 0.00 C ATOM 454 O VAL A 30 -11.713 -4.149 -1.198 1.00 0.00 O ATOM 455 CB VAL A 30 -10.410 -6.824 -2.391 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.400 -7.957 -2.326 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.713 -7.225 -1.731 1.00 0.00 C ATOM 0 H VAL A 30 -8.365 -6.729 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.653 -4.839 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.617 -6.614 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.827 -8.852 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.498 -7.672 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.149 -8.162 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.093 -8.134 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.543 -7.406 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.443 -6.424 -1.850 1.00 0.00 H new ATOM 467 N ALA A 31 -10.751 -5.261 0.482 1.00 0.00 N ATOM 468 CA ALA A 31 -11.639 -4.680 1.478 1.00 0.00 C ATOM 469 C ALA A 31 -11.115 -3.312 1.879 1.00 0.00 C ATOM 470 O ALA A 31 -11.869 -2.419 2.265 1.00 0.00 O ATOM 471 CB ALA A 31 -11.741 -5.575 2.697 1.00 0.00 C ATOM 0 H ALA A 31 -10.079 -5.935 0.848 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.635 -4.580 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.410 -5.120 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.134 -6.548 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.753 -5.701 3.139 1.00 0.00 H new ATOM 477 N THR A 32 -9.802 -3.169 1.749 1.00 0.00 N ATOM 478 CA THR A 32 -9.095 -1.947 2.109 1.00 0.00 C ATOM 479 C THR A 32 -9.192 -0.872 1.033 1.00 0.00 C ATOM 480 O THR A 32 -9.684 0.228 1.282 1.00 0.00 O ATOM 481 CB THR A 32 -7.610 -2.267 2.317 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.463 -3.421 3.151 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.882 -1.098 2.937 1.00 0.00 C ATOM 0 H THR A 32 -9.193 -3.904 1.388 1.00 0.00 H new ATOM 0 HA THR A 32 -9.562 -1.567 3.018 1.00 0.00 H new ATOM 0 HB THR A 32 -7.172 -2.468 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.769 -4.216 2.667 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.831 -1.354 3.073 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.962 -0.230 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.326 -0.864 3.905 1.00 0.00 H new ATOM 491 N VAL A 33 -8.720 -1.200 -0.163 1.00 0.00 N ATOM 492 CA VAL A 33 -8.724 -0.265 -1.274 1.00 0.00 C ATOM 493 C VAL A 33 -9.578 -0.760 -2.429 1.00 0.00 C ATOM 494 O VAL A 33 -9.517 -0.221 -3.528 1.00 0.00 O ATOM 495 CB VAL A 33 -7.293 0.002 -1.766 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.485 0.646 -0.657 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.636 -1.286 -2.215 1.00 0.00 C ATOM 0 H VAL A 33 -8.327 -2.114 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.158 0.664 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.333 0.679 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.470 0.834 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.950 1.589 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.453 -0.021 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.623 -1.077 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.598 -1.985 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.213 -1.724 -3.029 1.00 0.00 H new ATOM 507 N GLY A 34 -10.352 -1.809 -2.183 1.00 0.00 N ATOM 508 CA GLY A 34 -11.228 -2.337 -3.223 1.00 0.00 C ATOM 509 C GLY A 34 -10.487 -3.138 -4.272 1.00 0.00 C ATOM 510 O GLY A 34 -11.034 -4.076 -4.853 1.00 0.00 O ATOM 0 H GLY A 34 -10.393 -2.303 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.989 -2.967 -2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.748 -1.510 -3.706 1.00 0.00 H new ATOM 514 N TYR A 35 -9.242 -2.764 -4.510 1.00 0.00 N ATOM 515 CA TYR A 35 -8.413 -3.428 -5.498 1.00 0.00 C ATOM 516 C TYR A 35 -7.964 -4.801 -5.043 1.00 0.00 C ATOM 517 O TYR A 35 -7.254 -4.933 -4.047 1.00 0.00 O ATOM 518 CB TYR A 35 -7.197 -2.569 -5.792 1.00 0.00 C ATOM 519 CG TYR A 35 -7.574 -1.262 -6.412 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.320 -1.226 -7.574 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.205 -0.069 -5.825 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.691 -0.038 -8.142 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.566 1.133 -6.385 1.00 0.00 C ATOM 524 CZ TYR A 35 -8.312 1.149 -7.547 1.00 0.00 C ATOM 525 OH TYR A 35 -8.678 2.349 -8.113 1.00 0.00 O ATOM 0 H TYR A 35 -8.780 -1.995 -4.026 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.014 -3.562 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.649 -2.387 -4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.525 -3.107 -6.460 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.616 -2.153 -8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.625 -0.080 -4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.276 -0.029 -9.050 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.268 2.060 -5.919 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.301 2.815 -7.517 1.00 0.00 H new ATOM 535 N GLN A 36 -8.385 -5.822 -5.776 1.00 0.00 N ATOM 536 CA GLN A 36 -7.990 -7.179 -5.475 1.00 0.00 C ATOM 537 C GLN A 36 -6.465 -7.253 -5.515 1.00 0.00 C ATOM 538 O GLN A 36 -5.832 -6.390 -6.121 1.00 0.00 O ATOM 539 CB GLN A 36 -8.602 -8.134 -6.500 1.00 0.00 C ATOM 540 CG GLN A 36 -10.105 -7.967 -6.661 1.00 0.00 C ATOM 541 CD GLN A 36 -10.698 -8.947 -7.654 1.00 0.00 C ATOM 542 OE1 GLN A 36 -10.767 -8.671 -8.853 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.134 -10.100 -7.161 1.00 0.00 N ATOM 0 H GLN A 36 -9.001 -5.730 -6.584 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.345 -7.470 -4.486 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.121 -7.976 -7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.388 -9.160 -6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.587 -8.100 -5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.321 -6.950 -6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.058 -10.289 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.545 -10.797 -7.782 1.00 0.00 H new ATOM 552 N PRO A 37 -5.838 -8.241 -4.864 1.00 0.00 N ATOM 553 CA PRO A 37 -4.390 -8.345 -4.874 1.00 0.00 C ATOM 554 C PRO A 37 -3.824 -8.216 -6.277 1.00 0.00 C ATOM 555 O PRO A 37 -2.833 -7.525 -6.483 1.00 0.00 O ATOM 556 CB PRO A 37 -4.099 -9.723 -4.306 1.00 0.00 C ATOM 557 CG PRO A 37 -5.341 -10.190 -3.638 1.00 0.00 C ATOM 558 CD PRO A 37 -6.474 -9.296 -4.068 1.00 0.00 C ATOM 0 HA PRO A 37 -3.929 -7.545 -4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.805 -10.412 -5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.272 -9.681 -3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.551 -11.225 -3.907 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.224 -10.160 -2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.210 -9.845 -4.655 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.998 -8.880 -3.208 1.00 0.00 H new ATOM 566 N GLN A 38 -4.451 -8.885 -7.240 1.00 0.00 N ATOM 567 CA GLN A 38 -4.003 -8.812 -8.625 1.00 0.00 C ATOM 568 C GLN A 38 -4.271 -7.421 -9.189 1.00 0.00 C ATOM 569 O GLN A 38 -3.577 -6.956 -10.093 1.00 0.00 O ATOM 570 CB GLN A 38 -4.691 -9.874 -9.477 1.00 0.00 C ATOM 571 CG GLN A 38 -6.189 -9.911 -9.287 1.00 0.00 C ATOM 572 CD GLN A 38 -6.827 -11.147 -9.893 1.00 0.00 C ATOM 573 OE1 GLN A 38 -6.341 -11.685 -10.887 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.920 -11.605 -9.294 1.00 0.00 N ATOM 0 H GLN A 38 -5.265 -9.480 -7.088 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.930 -9.003 -8.650 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.469 -9.687 -10.528 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.276 -10.852 -9.232 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.417 -9.875 -8.222 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.630 -9.022 -9.737 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.289 -11.128 -8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.391 -12.434 -9.656 1.00 0.00 H new ATOM 583 N GLU A 39 -5.289 -6.765 -8.639 1.00 0.00 N ATOM 584 CA GLU A 39 -5.663 -5.418 -9.047 1.00 0.00 C ATOM 585 C GLU A 39 -4.606 -4.420 -8.585 1.00 0.00 C ATOM 586 O GLU A 39 -4.664 -3.236 -8.913 1.00 0.00 O ATOM 587 CB GLU A 39 -7.020 -5.061 -8.439 1.00 0.00 C ATOM 588 CG GLU A 39 -8.091 -4.736 -9.464 1.00 0.00 C ATOM 589 CD GLU A 39 -9.481 -5.116 -8.995 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.960 -4.519 -8.009 1.00 0.00 O ATOM 591 OE2 GLU A 39 -10.090 -6.014 -9.610 1.00 0.00 O ATOM 0 H GLU A 39 -5.875 -7.153 -7.900 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.732 -5.377 -10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.361 -5.894 -7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.895 -4.205 -7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.065 -3.669 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.870 -5.260 -10.394 1.00 0.00 H new ATOM 598 N LEU A 40 -3.645 -4.920 -7.815 1.00 0.00 N ATOM 599 CA LEU A 40 -2.562 -4.101 -7.289 1.00 0.00 C ATOM 600 C LEU A 40 -1.217 -4.621 -7.783 1.00 0.00 C ATOM 601 O LEU A 40 -0.304 -3.853 -8.075 1.00 0.00 O ATOM 602 CB LEU A 40 -2.590 -4.137 -5.761 1.00 0.00 C ATOM 603 CG LEU A 40 -3.274 -2.972 -5.034 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.769 -1.896 -5.992 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.416 -3.510 -4.195 1.00 0.00 C ATOM 0 H LEU A 40 -3.596 -5.901 -7.540 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.695 -3.076 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.084 -5.059 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.560 -4.195 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.534 -2.495 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.245 -1.095 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.926 -1.492 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.491 -2.329 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.906 -2.686 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.137 -4.012 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.028 -4.220 -3.464 1.00 0.00 H new ATOM 617 N LEU A 41 -1.116 -5.940 -7.874 1.00 0.00 N ATOM 618 CA LEU A 41 0.103 -6.604 -8.310 1.00 0.00 C ATOM 619 C LEU A 41 0.590 -6.060 -9.646 1.00 0.00 C ATOM 620 O LEU A 41 -0.180 -5.930 -10.599 1.00 0.00 O ATOM 621 CB LEU A 41 -0.137 -8.111 -8.404 1.00 0.00 C ATOM 622 CG LEU A 41 0.034 -8.873 -7.089 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.971 -10.013 -6.983 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.457 -9.396 -6.966 1.00 0.00 C ATOM 0 H LEU A 41 -1.878 -6.579 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 41 0.881 -6.406 -7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.147 -8.281 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.549 -8.528 -9.141 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.156 -8.184 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.827 -10.538 -6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.983 -9.611 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.823 -10.707 -7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.566 -9.937 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.671 -10.067 -7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.155 -8.559 -6.986 1.00 0.00 H new ATOM 636 N GLY A 42 1.878 -5.746 -9.699 1.00 0.00 N ATOM 637 CA GLY A 42 2.469 -5.216 -10.907 1.00 0.00 C ATOM 638 C GLY A 42 2.234 -3.730 -11.052 1.00 0.00 C ATOM 639 O GLY A 42 2.738 -3.101 -11.983 1.00 0.00 O ATOM 0 H GLY A 42 2.526 -5.851 -8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.541 -5.414 -10.902 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.053 -5.734 -11.771 1.00 0.00 H new ATOM 643 N LYS A 43 1.466 -3.169 -10.126 1.00 0.00 N ATOM 644 CA LYS A 43 1.162 -1.749 -10.148 1.00 0.00 C ATOM 645 C LYS A 43 2.000 -0.998 -9.139 1.00 0.00 C ATOM 646 O LYS A 43 2.281 -1.493 -8.049 1.00 0.00 O ATOM 647 CB LYS A 43 -0.306 -1.505 -9.833 1.00 0.00 C ATOM 648 CG LYS A 43 -1.240 -2.425 -10.572 1.00 0.00 C ATOM 649 CD LYS A 43 -2.600 -1.795 -10.775 1.00 0.00 C ATOM 650 CE LYS A 43 -3.381 -2.493 -11.877 1.00 0.00 C ATOM 651 NZ LYS A 43 -3.531 -3.950 -11.612 1.00 0.00 N ATOM 0 H LYS A 43 1.043 -3.679 -9.351 1.00 0.00 H new ATOM 0 HA LYS A 43 1.389 -1.388 -11.151 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.464 -1.624 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.555 -0.473 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.809 -2.681 -11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.349 -3.356 -10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.165 -1.839 -9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.480 -0.741 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.367 -2.037 -11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.873 -2.348 -12.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.021 -4.490 -12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.138 -4.175 -10.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.539 -4.205 -11.635 1.00 0.00 H new ATOM 665 N ASN A 44 2.382 0.203 -9.511 1.00 0.00 N ATOM 666 CA ASN A 44 3.166 1.049 -8.631 1.00 0.00 C ATOM 667 C ASN A 44 2.275 1.552 -7.507 1.00 0.00 C ATOM 668 O ASN A 44 1.304 2.264 -7.740 1.00 0.00 O ATOM 669 CB ASN A 44 3.762 2.222 -9.413 1.00 0.00 C ATOM 670 CG ASN A 44 4.924 2.874 -8.700 1.00 0.00 C ATOM 671 OD1 ASN A 44 4.739 3.720 -7.827 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.129 2.496 -9.089 1.00 0.00 N ATOM 0 H ASN A 44 2.164 0.619 -10.417 1.00 0.00 H new ATOM 0 HA ASN A 44 3.990 0.474 -8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.093 1.870 -10.390 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.986 2.967 -9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.957 2.910 -8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.231 1.790 -9.818 1.00 0.00 H new ATOM 679 N ILE A 45 2.599 1.144 -6.290 1.00 0.00 N ATOM 680 CA ILE A 45 1.840 1.534 -5.118 1.00 0.00 C ATOM 681 C ILE A 45 1.586 3.040 -5.084 1.00 0.00 C ATOM 682 O ILE A 45 0.481 3.484 -4.771 1.00 0.00 O ATOM 683 CB ILE A 45 2.591 1.114 -3.846 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.783 1.447 -2.599 1.00 0.00 C ATOM 685 CG2 ILE A 45 3.939 1.789 -3.803 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.454 1.019 -1.311 1.00 0.00 C ATOM 0 H ILE A 45 3.393 0.536 -6.090 1.00 0.00 H new ATOM 0 HA ILE A 45 0.875 1.029 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 45 2.736 0.034 -3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.606 2.522 -2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.808 0.965 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.468 1.488 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.520 1.497 -4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.804 2.871 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.822 1.288 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.607 -0.060 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.417 1.521 -1.218 1.00 0.00 H new ATOM 698 N VAL A 46 2.607 3.821 -5.428 1.00 0.00 N ATOM 699 CA VAL A 46 2.484 5.272 -5.416 1.00 0.00 C ATOM 700 C VAL A 46 1.570 5.761 -6.537 1.00 0.00 C ATOM 701 O VAL A 46 0.966 6.825 -6.424 1.00 0.00 O ATOM 702 CB VAL A 46 3.852 5.997 -5.458 1.00 0.00 C ATOM 703 CG1 VAL A 46 4.984 5.037 -5.141 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.077 6.709 -6.784 1.00 0.00 C ATOM 0 H VAL A 46 3.522 3.474 -5.716 1.00 0.00 H new ATOM 0 HA VAL A 46 2.026 5.530 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 46 3.839 6.766 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.934 5.570 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.839 4.620 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.993 4.230 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.048 7.204 -6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.051 5.982 -7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.293 7.451 -6.936 1.00 0.00 H new ATOM 714 N GLU A 47 1.495 5.006 -7.638 1.00 0.00 N ATOM 715 CA GLU A 47 0.621 5.387 -8.743 1.00 0.00 C ATOM 716 C GLU A 47 -0.788 5.629 -8.219 1.00 0.00 C ATOM 717 O GLU A 47 -1.536 6.443 -8.760 1.00 0.00 O ATOM 718 CB GLU A 47 0.601 4.315 -9.834 1.00 0.00 C ATOM 719 CG GLU A 47 1.604 4.563 -10.949 1.00 0.00 C ATOM 720 CD GLU A 47 1.484 3.555 -12.075 1.00 0.00 C ATOM 721 OE1 GLU A 47 0.616 3.744 -12.953 1.00 0.00 O ATOM 722 OE2 GLU A 47 2.260 2.575 -12.080 1.00 0.00 O ATOM 0 H GLU A 47 2.020 4.144 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 47 1.009 6.304 -9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.805 3.344 -9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.400 4.263 -10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.458 5.567 -11.348 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.614 4.527 -10.540 1.00 0.00 H new ATOM 729 N PHE A 48 -1.137 4.913 -7.153 1.00 0.00 N ATOM 730 CA PHE A 48 -2.438 5.070 -6.518 1.00 0.00 C ATOM 731 C PHE A 48 -2.345 6.189 -5.506 1.00 0.00 C ATOM 732 O PHE A 48 -3.286 6.952 -5.302 1.00 0.00 O ATOM 733 CB PHE A 48 -2.864 3.787 -5.811 1.00 0.00 C ATOM 734 CG PHE A 48 -3.046 2.624 -6.731 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.964 1.850 -7.109 1.00 0.00 C ATOM 736 CD2 PHE A 48 -4.304 2.302 -7.211 1.00 0.00 C ATOM 737 CE1 PHE A 48 -2.138 0.767 -7.956 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.481 1.228 -8.055 1.00 0.00 C ATOM 739 CZ PHE A 48 -3.397 0.462 -8.425 1.00 0.00 C ATOM 0 H PHE A 48 -0.534 4.218 -6.712 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.180 5.299 -7.283 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.116 3.531 -5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.799 3.969 -5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.977 2.091 -6.742 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.156 2.899 -6.921 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.290 0.165 -8.247 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.466 0.987 -8.426 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.535 -0.381 -9.086 1.00 0.00 H new ATOM 749 N CYS A 49 -1.182 6.263 -4.874 1.00 0.00 N ATOM 750 CA CYS A 49 -0.907 7.286 -3.874 1.00 0.00 C ATOM 751 C CYS A 49 -1.103 8.681 -4.451 1.00 0.00 C ATOM 752 O CYS A 49 -0.867 8.909 -5.638 1.00 0.00 O ATOM 753 CB CYS A 49 0.530 7.157 -3.367 1.00 0.00 C ATOM 754 SG CYS A 49 1.079 8.545 -2.345 1.00 0.00 S ATOM 0 H CYS A 49 -0.407 5.620 -5.038 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.605 7.140 -3.050 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.619 6.237 -2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.199 7.063 -4.222 1.00 0.00 H new ATOM 0 HG CYS A 49 0.930 9.655 -3.005 1.00 0.00 H new ATOM 760 N HIS A 50 -1.544 9.612 -3.610 1.00 0.00 N ATOM 761 CA HIS A 50 -1.736 10.987 -4.045 1.00 0.00 C ATOM 762 C HIS A 50 -0.394 11.552 -4.497 1.00 0.00 C ATOM 763 O HIS A 50 0.608 11.360 -3.816 1.00 0.00 O ATOM 764 CB HIS A 50 -2.325 11.826 -2.906 1.00 0.00 C ATOM 765 CG HIS A 50 -2.784 13.191 -3.315 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.948 14.129 -3.882 1.00 0.00 N ATOM 767 CD2 HIS A 50 -4.003 13.780 -3.226 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.629 15.235 -4.124 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.878 15.047 -3.736 1.00 0.00 N ATOM 0 H HIS A 50 -1.773 9.439 -2.631 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.438 11.017 -4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.168 11.287 -2.473 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.575 11.928 -2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.903 13.335 -2.828 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.233 16.138 -4.564 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.629 15.734 -3.805 1.00 0.00 H new ATOM 778 N PRO A 51 -0.346 12.233 -5.654 1.00 0.00 N ATOM 779 CA PRO A 51 0.898 12.788 -6.198 1.00 0.00 C ATOM 780 C PRO A 51 1.759 13.508 -5.163 1.00 0.00 C ATOM 781 O PRO A 51 2.922 13.156 -4.960 1.00 0.00 O ATOM 782 CB PRO A 51 0.397 13.759 -7.259 1.00 0.00 C ATOM 783 CG PRO A 51 -0.860 13.136 -7.744 1.00 0.00 C ATOM 784 CD PRO A 51 -1.496 12.535 -6.527 1.00 0.00 C ATOM 0 HA PRO A 51 1.555 12.005 -6.575 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.217 14.750 -6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.121 13.879 -8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.514 13.876 -8.205 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.657 12.376 -8.498 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.190 13.229 -6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.062 11.636 -6.772 1.00 0.00 H new ATOM 792 N GLU A 52 1.183 14.510 -4.508 1.00 0.00 N ATOM 793 CA GLU A 52 1.902 15.290 -3.507 1.00 0.00 C ATOM 794 C GLU A 52 2.437 14.415 -2.377 1.00 0.00 C ATOM 795 O GLU A 52 3.301 14.839 -1.608 1.00 0.00 O ATOM 796 CB GLU A 52 0.981 16.364 -2.942 1.00 0.00 C ATOM 797 CG GLU A 52 0.565 17.386 -3.981 1.00 0.00 C ATOM 798 CD GLU A 52 1.549 18.534 -4.099 1.00 0.00 C ATOM 799 OE1 GLU A 52 2.495 18.424 -4.906 1.00 0.00 O ATOM 800 OE2 GLU A 52 1.371 19.544 -3.386 1.00 0.00 O ATOM 0 H GLU A 52 0.217 14.802 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 52 2.760 15.753 -3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.091 15.891 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.485 16.873 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.468 16.895 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.418 17.780 -3.724 1.00 0.00 H new ATOM 807 N ASP A 53 1.921 13.196 -2.280 1.00 0.00 N ATOM 808 CA ASP A 53 2.336 12.267 -1.234 1.00 0.00 C ATOM 809 C ASP A 53 3.228 11.144 -1.758 1.00 0.00 C ATOM 810 O ASP A 53 3.896 10.472 -0.970 1.00 0.00 O ATOM 811 CB ASP A 53 1.111 11.650 -0.563 1.00 0.00 C ATOM 812 CG ASP A 53 0.349 12.644 0.291 1.00 0.00 C ATOM 813 OD1 ASP A 53 -0.511 13.364 -0.261 1.00 0.00 O ATOM 814 OD2 ASP A 53 0.610 12.702 1.511 1.00 0.00 O ATOM 0 H ASP A 53 1.213 12.826 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 53 2.916 12.848 -0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.446 11.250 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.426 10.811 0.057 1.00 0.00 H new ATOM 819 N GLN A 54 3.248 10.927 -3.071 1.00 0.00 N ATOM 820 CA GLN A 54 4.055 9.859 -3.632 1.00 0.00 C ATOM 821 C GLN A 54 5.524 10.046 -3.285 1.00 0.00 C ATOM 822 O GLN A 54 6.247 9.076 -3.073 1.00 0.00 O ATOM 823 CB GLN A 54 3.887 9.779 -5.144 1.00 0.00 C ATOM 824 CG GLN A 54 2.449 9.828 -5.607 1.00 0.00 C ATOM 825 CD GLN A 54 2.322 9.783 -7.117 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.197 10.259 -7.839 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.230 9.210 -7.600 1.00 0.00 N ATOM 0 H GLN A 54 2.721 11.471 -3.754 1.00 0.00 H new ATOM 0 HA GLN A 54 3.707 8.924 -3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.434 10.602 -5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.342 8.855 -5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.903 8.989 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.982 10.739 -5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.530 8.828 -6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.089 9.150 -8.608 1.00 0.00 H new ATOM 836 N GLN A 55 5.961 11.298 -3.232 1.00 0.00 N ATOM 837 CA GLN A 55 7.347 11.599 -2.903 1.00 0.00 C ATOM 838 C GLN A 55 7.686 11.095 -1.505 1.00 0.00 C ATOM 839 O GLN A 55 8.820 10.709 -1.226 1.00 0.00 O ATOM 840 CB GLN A 55 7.607 13.103 -2.997 1.00 0.00 C ATOM 841 CG GLN A 55 9.067 13.484 -2.804 1.00 0.00 C ATOM 842 CD GLN A 55 9.977 12.869 -3.849 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.200 13.447 -4.914 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.513 11.693 -3.546 1.00 0.00 N ATOM 0 H GLN A 55 5.379 12.116 -3.412 1.00 0.00 H new ATOM 0 HA GLN A 55 7.987 11.089 -3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.273 13.460 -3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.005 13.615 -2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.162 14.569 -2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.393 13.167 -1.813 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.300 11.251 -2.652 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.138 11.232 -4.207 1.00 0.00 H new ATOM 853 N LEU A 56 6.682 11.098 -0.638 1.00 0.00 N ATOM 854 CA LEU A 56 6.833 10.647 0.730 1.00 0.00 C ATOM 855 C LEU A 56 6.786 9.132 0.784 1.00 0.00 C ATOM 856 O LEU A 56 7.495 8.500 1.567 1.00 0.00 O ATOM 857 CB LEU A 56 5.722 11.251 1.587 1.00 0.00 C ATOM 858 CG LEU A 56 5.441 10.539 2.908 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.926 11.370 4.083 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.956 10.240 3.028 1.00 0.00 C ATOM 0 H LEU A 56 5.740 11.415 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 56 7.797 10.974 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.978 12.288 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.803 11.265 1.001 1.00 0.00 H new ATOM 0 HG LEU A 56 5.988 9.596 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.715 10.843 5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.000 11.534 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.412 12.331 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.762 9.732 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.393 11.173 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.646 9.600 2.202 1.00 0.00 H new ATOM 872 N LEU A 57 5.936 8.559 -0.055 1.00 0.00 N ATOM 873 CA LEU A 57 5.791 7.118 -0.121 1.00 0.00 C ATOM 874 C LEU A 57 7.085 6.492 -0.610 1.00 0.00 C ATOM 875 O LEU A 57 7.676 5.644 0.059 1.00 0.00 O ATOM 876 CB LEU A 57 4.641 6.752 -1.054 1.00 0.00 C ATOM 877 CG LEU A 57 4.253 5.278 -1.045 1.00 0.00 C ATOM 878 CD1 LEU A 57 3.937 4.831 0.369 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.070 5.029 -1.968 1.00 0.00 C ATOM 0 H LEU A 57 5.336 9.074 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 57 5.569 6.735 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.768 7.344 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.913 7.035 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 57 5.095 4.692 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.661 3.777 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.814 4.974 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.108 5.421 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.809 3.971 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.217 5.620 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.335 5.317 -2.985 1.00 0.00 H new ATOM 891 N ARG A 58 7.510 6.918 -1.791 1.00 0.00 N ATOM 892 CA ARG A 58 8.749 6.434 -2.379 1.00 0.00 C ATOM 893 C ARG A 58 9.905 6.683 -1.423 1.00 0.00 C ATOM 894 O ARG A 58 10.813 5.861 -1.307 1.00 0.00 O ATOM 895 CB ARG A 58 9.022 7.133 -3.711 1.00 0.00 C ATOM 896 CG ARG A 58 7.894 6.999 -4.721 1.00 0.00 C ATOM 897 CD ARG A 58 8.201 7.782 -5.987 1.00 0.00 C ATOM 898 NE ARG A 58 7.012 8.403 -6.558 1.00 0.00 N ATOM 899 CZ ARG A 58 7.053 9.405 -7.434 1.00 0.00 C ATOM 900 NH1 ARG A 58 8.222 9.888 -7.838 1.00 0.00 N ATOM 901 NH2 ARG A 58 5.929 9.922 -7.906 1.00 0.00 N ATOM 0 H ARG A 58 7.012 7.601 -2.362 1.00 0.00 H new ATOM 0 HA ARG A 58 8.652 5.364 -2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.205 8.191 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.935 6.724 -4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.744 5.948 -4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.964 7.360 -4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.939 8.553 -5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.649 7.115 -6.724 1.00 0.00 H new ATOM 0 HE ARG A 58 6.099 8.051 -6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.090 9.491 -7.477 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.252 10.656 -8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.029 9.553 -7.599 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.963 10.690 -8.577 1.00 0.00 H new ATOM 915 N ASP A 59 9.860 7.825 -0.737 1.00 0.00 N ATOM 916 CA ASP A 59 10.900 8.181 0.223 1.00 0.00 C ATOM 917 C ASP A 59 11.068 7.069 1.229 1.00 0.00 C ATOM 918 O ASP A 59 12.182 6.617 1.491 1.00 0.00 O ATOM 919 CB ASP A 59 10.557 9.486 0.936 1.00 0.00 C ATOM 920 CG ASP A 59 11.605 9.883 1.956 1.00 0.00 C ATOM 921 OD1 ASP A 59 12.575 10.573 1.575 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.458 9.503 3.137 1.00 0.00 O ATOM 0 H ASP A 59 9.116 8.517 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 59 11.836 8.324 -0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.452 10.282 0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.592 9.382 1.433 1.00 0.00 H new ATOM 927 N SER A 60 9.954 6.633 1.790 1.00 0.00 N ATOM 928 CA SER A 60 9.982 5.547 2.748 1.00 0.00 C ATOM 929 C SER A 60 10.733 4.365 2.156 1.00 0.00 C ATOM 930 O SER A 60 11.723 3.907 2.717 1.00 0.00 O ATOM 931 CB SER A 60 8.562 5.141 3.141 1.00 0.00 C ATOM 932 OG SER A 60 8.456 3.737 3.299 1.00 0.00 O ATOM 0 H SER A 60 9.026 7.012 1.600 1.00 0.00 H new ATOM 0 HA SER A 60 10.498 5.880 3.649 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.284 5.636 4.071 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.860 5.478 2.378 1.00 0.00 H new ATOM 0 HG SER A 60 7.517 3.469 3.217 1.00 0.00 H new ATOM 938 N PHE A 61 10.276 3.899 0.999 1.00 0.00 N ATOM 939 CA PHE A 61 10.909 2.773 0.324 1.00 0.00 C ATOM 940 C PHE A 61 12.399 3.008 0.155 1.00 0.00 C ATOM 941 O PHE A 61 13.194 2.075 0.251 1.00 0.00 O ATOM 942 CB PHE A 61 10.265 2.542 -1.042 1.00 0.00 C ATOM 943 CG PHE A 61 8.769 2.420 -0.977 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.154 1.819 0.113 1.00 0.00 C ATOM 945 CD2 PHE A 61 7.977 2.916 -1.998 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.779 1.714 0.178 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.602 2.813 -1.938 1.00 0.00 C ATOM 948 CZ PHE A 61 6.002 2.212 -0.847 1.00 0.00 C ATOM 0 H PHE A 61 9.469 4.284 0.509 1.00 0.00 H new ATOM 0 HA PHE A 61 10.765 1.887 0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.528 3.367 -1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.678 1.635 -1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.758 1.429 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.440 3.389 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.312 1.243 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.995 3.202 -2.743 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.926 2.133 -0.797 1.00 0.00 H new ATOM 958 N GLN A 62 12.775 4.259 -0.090 1.00 0.00 N ATOM 959 CA GLN A 62 14.175 4.600 -0.274 1.00 0.00 C ATOM 960 C GLN A 62 14.935 4.428 1.027 1.00 0.00 C ATOM 961 O GLN A 62 16.109 4.077 1.029 1.00 0.00 O ATOM 962 CB GLN A 62 14.314 6.039 -0.771 1.00 0.00 C ATOM 963 CG GLN A 62 13.622 6.295 -2.096 1.00 0.00 C ATOM 964 CD GLN A 62 14.602 6.561 -3.224 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.034 5.639 -3.917 1.00 0.00 O ATOM 966 NE2 GLN A 62 14.959 7.826 -3.412 1.00 0.00 N ATOM 0 H GLN A 62 12.132 5.047 -0.165 1.00 0.00 H new ATOM 0 HA GLN A 62 14.596 3.928 -1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.904 6.715 -0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.373 6.279 -0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.004 5.434 -2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.952 7.148 -1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.576 8.558 -2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.616 8.066 -4.154 1.00 0.00 H new ATOM 975 N GLN A 63 14.250 4.668 2.136 1.00 0.00 N ATOM 976 CA GLN A 63 14.859 4.560 3.448 1.00 0.00 C ATOM 977 C GLN A 63 14.964 3.106 3.918 1.00 0.00 C ATOM 978 O GLN A 63 15.993 2.695 4.449 1.00 0.00 O ATOM 979 CB GLN A 63 14.045 5.372 4.437 1.00 0.00 C ATOM 980 CG GLN A 63 13.960 6.849 4.080 1.00 0.00 C ATOM 981 CD GLN A 63 15.310 7.540 4.113 1.00 0.00 C ATOM 982 OE1 GLN A 63 15.553 8.487 3.366 1.00 0.00 O ATOM 983 NE2 GLN A 63 16.198 7.070 4.983 1.00 0.00 N ATOM 0 H GLN A 63 13.267 4.940 2.150 1.00 0.00 H new ATOM 0 HA GLN A 63 15.875 4.949 3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.037 4.960 4.492 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.485 5.270 5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.528 6.953 3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.284 7.348 4.775 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.955 6.283 5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.122 7.497 5.050 1.00 0.00 H new ATOM 992 N VAL A 64 13.895 2.335 3.726 1.00 0.00 N ATOM 993 CA VAL A 64 13.883 0.929 4.148 1.00 0.00 C ATOM 994 C VAL A 64 14.925 0.137 3.387 1.00 0.00 C ATOM 995 O VAL A 64 15.543 -0.781 3.921 1.00 0.00 O ATOM 996 CB VAL A 64 12.498 0.240 3.945 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.419 1.252 3.621 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.553 -0.830 2.856 1.00 0.00 C ATOM 0 H VAL A 64 13.032 2.653 3.285 1.00 0.00 H new ATOM 0 HA VAL A 64 14.105 0.937 5.215 1.00 0.00 H new ATOM 0 HB VAL A 64 12.248 -0.245 4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.467 0.738 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.333 1.966 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.679 1.781 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.570 -1.287 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.850 -0.373 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.279 -1.595 3.133 1.00 0.00 H new ATOM 1008 N VAL A 65 15.100 0.504 2.136 1.00 0.00 N ATOM 1009 CA VAL A 65 16.037 -0.168 1.268 1.00 0.00 C ATOM 1010 C VAL A 65 17.461 0.320 1.514 1.00 0.00 C ATOM 1011 O VAL A 65 18.422 -0.427 1.346 1.00 0.00 O ATOM 1012 CB VAL A 65 15.635 0.045 -0.197 1.00 0.00 C ATOM 1013 CG1 VAL A 65 15.925 1.472 -0.634 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.323 -0.960 -1.094 1.00 0.00 C ATOM 0 H VAL A 65 14.598 1.274 1.695 1.00 0.00 H new ATOM 0 HA VAL A 65 16.011 -1.235 1.490 1.00 0.00 H new ATOM 0 HB VAL A 65 14.560 -0.115 -0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.632 1.600 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.360 2.165 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.991 1.675 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.023 -0.790 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.403 -0.846 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.039 -1.969 -0.795 1.00 0.00 H new ATOM 1024 N LYS A 66 17.585 1.581 1.910 1.00 0.00 N ATOM 1025 CA LYS A 66 18.887 2.162 2.211 1.00 0.00 C ATOM 1026 C LYS A 66 19.439 1.549 3.484 1.00 0.00 C ATOM 1027 O LYS A 66 20.622 1.221 3.581 1.00 0.00 O ATOM 1028 CB LYS A 66 18.762 3.671 2.398 1.00 0.00 C ATOM 1029 CG LYS A 66 18.911 4.459 1.108 1.00 0.00 C ATOM 1030 CD LYS A 66 18.662 5.945 1.325 1.00 0.00 C ATOM 1031 CE LYS A 66 19.674 6.549 2.286 1.00 0.00 C ATOM 1032 NZ LYS A 66 19.471 8.014 2.459 1.00 0.00 N ATOM 0 H LYS A 66 16.800 2.221 2.030 1.00 0.00 H new ATOM 0 HA LYS A 66 19.561 1.957 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.791 3.895 2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.520 4.005 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.913 4.313 0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.211 4.077 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.712 6.466 0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.655 6.092 1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.595 6.055 3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.682 6.364 1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.181 8.387 3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.572 8.489 1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.518 8.190 2.837 1.00 0.00 H new ATOM 1046 N LEU A 67 18.554 1.402 4.456 1.00 0.00 N ATOM 1047 CA LEU A 67 18.901 0.838 5.747 1.00 0.00 C ATOM 1048 C LEU A 67 18.627 -0.658 5.742 1.00 0.00 C ATOM 1049 O LEU A 67 18.847 -1.355 6.733 1.00 0.00 O ATOM 1050 CB LEU A 67 18.080 1.549 6.817 1.00 0.00 C ATOM 1051 CG LEU A 67 18.070 3.075 6.687 1.00 0.00 C ATOM 1052 CD1 LEU A 67 17.153 3.700 7.727 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.483 3.625 6.816 1.00 0.00 C ATOM 0 H LEU A 67 17.574 1.671 4.371 1.00 0.00 H new ATOM 0 HA LEU A 67 19.961 0.980 5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 67 17.054 1.185 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.472 1.281 7.798 1.00 0.00 H new ATOM 0 HG LEU A 67 17.686 3.334 5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.162 4.784 7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.138 3.329 7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.501 3.435 8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.461 4.711 6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.892 3.354 7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 67 20.110 3.205 6.029 1.00 0.00 H new ATOM 1065 N LYS A 68 18.155 -1.121 4.590 1.00 0.00 N ATOM 1066 CA LYS A 68 17.826 -2.525 4.354 1.00 0.00 C ATOM 1067 C LYS A 68 17.293 -3.219 5.599 1.00 0.00 C ATOM 1068 O LYS A 68 18.041 -3.825 6.368 1.00 0.00 O ATOM 1069 CB LYS A 68 19.027 -3.280 3.809 1.00 0.00 C ATOM 1070 CG LYS A 68 18.666 -4.240 2.686 1.00 0.00 C ATOM 1071 CD LYS A 68 18.757 -3.570 1.326 1.00 0.00 C ATOM 1072 CE LYS A 68 17.633 -4.027 0.408 1.00 0.00 C ATOM 1073 NZ LYS A 68 17.895 -3.664 -1.012 1.00 0.00 N ATOM 0 H LYS A 68 17.987 -0.524 3.780 1.00 0.00 H new ATOM 0 HA LYS A 68 17.029 -2.535 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.764 -2.565 3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.497 -3.838 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.334 -5.101 2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.655 -4.617 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.713 -2.488 1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.719 -3.800 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.513 -5.107 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.694 -3.576 0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.995 -3.625 -1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.359 -2.734 -1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.514 -4.379 -1.445 1.00 0.00 H new ATOM 1087 N GLY A 69 15.989 -3.118 5.774 1.00 0.00 N ATOM 1088 CA GLY A 69 15.323 -3.741 6.900 1.00 0.00 C ATOM 1089 C GLY A 69 14.600 -2.737 7.770 1.00 0.00 C ATOM 1090 O GLY A 69 13.502 -3.008 8.258 1.00 0.00 O ATOM 0 H GLY A 69 15.368 -2.607 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.610 -4.480 6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.057 -4.277 7.502 1.00 0.00 H new ATOM 1094 N GLN A 70 15.217 -1.579 7.969 1.00 0.00 N ATOM 1095 CA GLN A 70 14.617 -0.525 8.775 1.00 0.00 C ATOM 1096 C GLN A 70 13.238 -0.184 8.226 1.00 0.00 C ATOM 1097 O GLN A 70 13.102 0.197 7.065 1.00 0.00 O ATOM 1098 CB GLN A 70 15.514 0.712 8.764 1.00 0.00 C ATOM 1099 CG GLN A 70 15.292 1.658 9.932 1.00 0.00 C ATOM 1100 CD GLN A 70 15.740 1.075 11.261 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.708 -0.139 11.467 1.00 0.00 O ATOM 1102 NE2 GLN A 70 16.163 1.941 12.173 1.00 0.00 N ATOM 0 H GLN A 70 16.132 -1.347 7.583 1.00 0.00 H new ATOM 0 HA GLN A 70 14.513 -0.871 9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.556 0.391 8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.350 1.257 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.832 2.587 9.748 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.234 1.912 9.991 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.174 2.939 11.962 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.477 1.609 13.085 1.00 0.00 H new ATOM 1111 N VAL A 71 12.217 -0.322 9.061 1.00 0.00 N ATOM 1112 CA VAL A 71 10.853 -0.058 8.631 1.00 0.00 C ATOM 1113 C VAL A 71 10.522 1.430 8.639 1.00 0.00 C ATOM 1114 O VAL A 71 10.934 2.180 9.524 1.00 0.00 O ATOM 1115 CB VAL A 71 9.829 -0.836 9.482 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.643 -0.193 10.847 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.507 -0.959 8.740 1.00 0.00 C ATOM 0 H VAL A 71 12.307 -0.614 10.034 1.00 0.00 H new ATOM 0 HA VAL A 71 10.785 -0.408 7.601 1.00 0.00 H new ATOM 0 HB VAL A 71 10.218 -1.840 9.650 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.915 -0.765 11.422 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.596 -0.181 11.376 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.285 0.829 10.722 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.795 -1.511 9.354 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.113 0.036 8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.665 -1.490 7.801 1.00 0.00 H new ATOM 1127 N LEU A 72 9.772 1.832 7.622 1.00 0.00 N ATOM 1128 CA LEU A 72 9.358 3.209 7.427 1.00 0.00 C ATOM 1129 C LEU A 72 7.860 3.361 7.636 1.00 0.00 C ATOM 1130 O LEU A 72 7.091 2.430 7.387 1.00 0.00 O ATOM 1131 CB LEU A 72 9.706 3.632 5.998 1.00 0.00 C ATOM 1132 CG LEU A 72 11.142 4.096 5.763 1.00 0.00 C ATOM 1133 CD1 LEU A 72 11.294 5.554 6.140 1.00 0.00 C ATOM 1134 CD2 LEU A 72 12.136 3.230 6.526 1.00 0.00 C ATOM 0 H LEU A 72 9.430 1.198 6.900 1.00 0.00 H new ATOM 0 HA LEU A 72 9.876 3.836 8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.504 2.792 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.033 4.438 5.706 1.00 0.00 H new ATOM 0 HG LEU A 72 11.362 3.989 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.323 5.869 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.622 6.159 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.047 5.685 7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.149 3.586 6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.924 3.287 7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.048 2.196 6.194 1.00 0.00 H new ATOM 1146 N SER A 73 7.448 4.538 8.085 1.00 0.00 N ATOM 1147 CA SER A 73 6.038 4.816 8.304 1.00 0.00 C ATOM 1148 C SER A 73 5.658 6.130 7.651 1.00 0.00 C ATOM 1149 O SER A 73 6.127 7.196 8.053 1.00 0.00 O ATOM 1150 CB SER A 73 5.713 4.864 9.791 1.00 0.00 C ATOM 1151 OG SER A 73 4.329 4.661 10.015 1.00 0.00 O ATOM 0 H SER A 73 8.071 5.315 8.304 1.00 0.00 H new ATOM 0 HA SER A 73 5.461 4.009 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.286 4.100 10.317 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.014 5.828 10.202 1.00 0.00 H new ATOM 0 HG SER A 73 4.145 4.694 10.977 1.00 0.00 H new ATOM 1157 N VAL A 74 4.806 6.045 6.645 1.00 0.00 N ATOM 1158 CA VAL A 74 4.366 7.240 5.925 1.00 0.00 C ATOM 1159 C VAL A 74 2.875 7.198 5.635 1.00 0.00 C ATOM 1160 O VAL A 74 2.341 6.166 5.230 1.00 0.00 O ATOM 1161 CB VAL A 74 5.121 7.417 4.587 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.615 7.575 4.818 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.839 6.255 3.656 1.00 0.00 C ATOM 0 H VAL A 74 4.404 5.171 6.305 1.00 0.00 H new ATOM 0 HA VAL A 74 4.588 8.085 6.577 1.00 0.00 H new ATOM 0 HB VAL A 74 4.759 8.330 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.120 7.698 3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.796 8.452 5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.001 6.688 5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.380 6.399 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.165 5.326 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.769 6.203 3.453 1.00 0.00 H new ATOM 1173 N MET A 75 2.198 8.322 5.843 1.00 0.00 N ATOM 1174 CA MET A 75 0.773 8.389 5.567 1.00 0.00 C ATOM 1175 C MET A 75 0.533 9.014 4.213 1.00 0.00 C ATOM 1176 O MET A 75 1.039 10.096 3.915 1.00 0.00 O ATOM 1177 CB MET A 75 0.013 9.185 6.621 1.00 0.00 C ATOM 1178 CG MET A 75 -0.086 8.487 7.959 1.00 0.00 C ATOM 1179 SD MET A 75 -1.394 9.162 8.995 1.00 0.00 S ATOM 1180 CE MET A 75 -2.830 8.711 8.026 1.00 0.00 C ATOM 0 H MET A 75 2.608 9.186 6.197 1.00 0.00 H new ATOM 0 HA MET A 75 0.401 7.365 5.584 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.504 10.148 6.760 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.992 9.390 6.253 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.267 7.424 7.798 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.867 8.573 8.481 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.735 8.978 8.571 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.809 9.243 7.075 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.821 7.637 7.841 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.241 8.329 3.397 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.549 8.828 2.065 1.00 0.00 C ATOM 1192 C PHE A 76 -1.996 8.545 1.686 1.00 0.00 C ATOM 1193 O PHE A 76 -2.679 7.754 2.329 1.00 0.00 O ATOM 1194 CB PHE A 76 0.386 8.189 1.044 1.00 0.00 C ATOM 1195 CG PHE A 76 0.021 6.775 0.716 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.372 5.736 1.560 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.688 6.485 -0.435 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.026 4.441 1.258 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -1.033 5.187 -0.741 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.673 4.163 0.110 1.00 0.00 C ATOM 0 H PHE A 76 -0.668 7.431 3.626 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.406 9.909 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.375 8.782 0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.406 8.215 1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.923 5.945 2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.975 7.285 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.305 3.639 1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.584 4.972 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.941 3.144 -0.127 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.451 9.200 0.626 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.815 9.027 0.141 1.00 0.00 C ATOM 1212 C ARG A 77 -3.855 8.004 -0.994 1.00 0.00 C ATOM 1213 O ARG A 77 -3.385 8.268 -2.099 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.371 10.372 -0.324 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.297 11.447 0.749 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.497 12.842 0.178 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.852 13.043 -0.322 1.00 0.00 N ATOM 1218 CZ ARG A 77 -6.702 13.931 0.189 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -6.330 14.704 1.200 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -7.925 14.047 -0.309 1.00 0.00 N ATOM 0 H ARG A 77 -1.893 9.859 0.083 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.436 8.652 0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.817 10.704 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.409 10.244 -0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.056 11.254 1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.329 11.395 1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.282 13.582 0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.785 13.007 -0.630 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.166 12.472 -1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.391 14.619 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.983 15.384 1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.217 13.455 -1.086 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.574 14.728 0.085 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.420 6.834 -0.705 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.515 5.754 -1.684 1.00 0.00 C ATOM 1236 C PHE A 78 -5.823 5.818 -2.463 1.00 0.00 C ATOM 1237 O PHE A 78 -6.881 5.490 -1.925 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.434 4.388 -0.982 1.00 0.00 C ATOM 1239 CG PHE A 78 -4.153 3.237 -1.919 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -5.126 2.769 -2.792 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.911 2.628 -1.928 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.857 1.715 -3.651 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.638 1.579 -2.783 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.611 1.123 -3.645 1.00 0.00 C ATOM 0 H PHE A 78 -4.821 6.609 0.205 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.682 5.874 -2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.652 4.426 -0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.374 4.200 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.102 3.231 -2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.142 2.979 -1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.622 1.358 -4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.662 1.116 -2.776 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.399 0.303 -4.315 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.761 6.233 -3.726 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.960 6.263 -4.546 1.00 0.00 C ATOM 1256 C ARG A 79 -7.413 4.829 -4.739 1.00 0.00 C ATOM 1257 O ARG A 79 -6.831 4.085 -5.527 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.701 6.936 -5.897 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.927 6.989 -6.798 1.00 0.00 C ATOM 1260 CD ARG A 79 -8.109 5.690 -7.562 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.930 5.862 -8.758 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.704 5.225 -9.904 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -7.692 4.375 -10.006 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -9.492 5.440 -10.949 1.00 0.00 N ATOM 0 H ARG A 79 -4.910 6.546 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.734 6.849 -4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.343 7.951 -5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.904 6.400 -6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.814 7.187 -6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.828 7.816 -7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.132 5.299 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.571 4.949 -6.910 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.720 6.506 -8.712 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.084 4.208 -9.204 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.522 3.888 -10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.271 6.094 -10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.319 4.952 -11.828 1.00 0.00 H new ATOM 1278 N SER A 80 -8.437 4.439 -4.001 1.00 0.00 N ATOM 1279 CA SER A 80 -8.931 3.083 -4.053 1.00 0.00 C ATOM 1280 C SER A 80 -9.905 2.841 -5.199 1.00 0.00 C ATOM 1281 O SER A 80 -10.118 3.704 -6.048 1.00 0.00 O ATOM 1282 CB SER A 80 -9.572 2.748 -2.720 1.00 0.00 C ATOM 1283 OG SER A 80 -8.591 2.704 -1.704 1.00 0.00 O ATOM 0 H SER A 80 -8.942 5.048 -3.357 1.00 0.00 H new ATOM 0 HA SER A 80 -8.084 2.425 -4.244 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.328 3.494 -2.474 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.082 1.787 -2.785 1.00 0.00 H new ATOM 0 HG SER A 80 -8.094 3.548 -1.693 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.473 1.639 -5.213 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.412 1.230 -6.241 1.00 0.00 C ATOM 1291 C LYS A 81 -12.623 2.158 -6.285 1.00 0.00 C ATOM 1292 O LYS A 81 -13.294 2.271 -7.311 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.854 -0.212 -5.995 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.421 -0.851 -7.234 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.578 -2.028 -7.668 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.769 -2.327 -9.136 1.00 0.00 C ATOM 1297 NZ LYS A 81 -10.886 -1.492 -9.997 1.00 0.00 N ATOM 0 H LYS A 81 -10.292 0.923 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.911 1.292 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.004 -0.796 -5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.603 -0.231 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.442 -1.181 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.468 -0.116 -8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.527 -1.818 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.843 -2.905 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.563 -3.381 -9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.810 -2.153 -9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.857 -1.893 -10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.258 -0.522 -10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.926 -1.477 -9.598 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.892 2.826 -5.167 1.00 0.00 N ATOM 1312 CA ASN A 82 -14.017 3.749 -5.079 1.00 0.00 C ATOM 1313 C ASN A 82 -13.627 5.128 -5.598 1.00 0.00 C ATOM 1314 O ASN A 82 -14.428 6.063 -5.575 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.506 3.858 -3.635 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.001 2.534 -3.091 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.178 2.195 -3.221 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.102 1.778 -2.473 1.00 0.00 N ATOM 0 H ASN A 82 -12.346 2.745 -4.310 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.824 3.358 -5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.695 4.225 -3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.309 4.593 -3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.376 0.876 -2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.137 2.099 -2.388 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.386 5.238 -6.061 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.864 6.489 -6.596 1.00 0.00 C ATOM 1327 C GLN A 83 -11.845 7.562 -5.517 1.00 0.00 C ATOM 1328 O GLN A 83 -12.096 8.737 -5.784 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.703 6.941 -7.789 1.00 0.00 C ATOM 1330 CG GLN A 83 -13.049 5.808 -8.742 1.00 0.00 C ATOM 1331 CD GLN A 83 -12.715 6.135 -10.182 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -12.767 7.293 -10.598 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -12.365 5.113 -10.953 1.00 0.00 N ATOM 0 H GLN A 83 -11.718 4.467 -6.076 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.840 6.326 -6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.625 7.395 -7.425 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.161 7.713 -8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.509 4.909 -8.443 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.112 5.583 -8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.335 4.169 -10.567 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.126 5.271 -11.932 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.542 7.140 -4.294 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.489 8.047 -3.156 1.00 0.00 C ATOM 1344 C GLU A 84 -10.114 8.013 -2.497 1.00 0.00 C ATOM 1345 O GLU A 84 -9.499 6.952 -2.379 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.562 7.670 -2.140 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.973 7.950 -2.625 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.310 9.428 -2.618 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -14.711 9.941 -1.552 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -14.172 10.073 -3.679 1.00 0.00 O ATOM 0 H GLU A 84 -11.328 6.169 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.672 9.060 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.471 6.610 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.387 8.221 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.090 7.559 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.683 7.416 -1.993 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.635 9.177 -2.069 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.334 9.274 -1.423 1.00 0.00 C ATOM 1359 C TRP A 85 -8.361 8.610 -0.048 1.00 0.00 C ATOM 1360 O TRP A 85 -8.630 9.256 0.964 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.915 10.742 -1.301 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.493 11.357 -2.599 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.951 12.514 -3.153 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.519 10.844 -3.498 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -7.322 12.744 -4.354 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.435 11.728 -4.586 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.715 9.715 -3.479 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.568 11.510 -5.653 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.852 9.496 -4.534 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.784 10.390 -5.610 1.00 0.00 C ATOM 0 H TRP A 85 -10.129 10.065 -2.159 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.603 8.750 -2.038 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.747 11.315 -0.891 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -7.093 10.818 -0.589 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.699 13.157 -2.713 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.489 13.540 -4.970 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.763 9.020 -2.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.516 12.199 -6.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -4.219 8.621 -4.530 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -4.099 10.191 -6.421 1.00 0.00 H new ATOM 1381 N LEU A 86 -8.077 7.310 -0.031 1.00 0.00 N ATOM 1382 CA LEU A 86 -8.069 6.531 1.204 1.00 0.00 C ATOM 1383 C LEU A 86 -6.771 6.721 1.980 1.00 0.00 C ATOM 1384 O LEU A 86 -5.746 6.143 1.627 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.248 5.043 0.885 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.623 4.623 0.345 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.904 3.180 0.720 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.722 5.535 0.872 1.00 0.00 C ATOM 0 H LEU A 86 -7.848 6.771 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.895 6.885 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.492 4.756 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.048 4.472 1.792 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.609 4.713 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.881 2.887 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.136 2.536 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.897 3.078 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.684 5.214 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.746 5.485 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.524 6.561 0.560 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.816 7.508 3.053 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.621 7.738 3.853 1.00 0.00 C ATOM 1402 C TRP A 87 -5.138 6.438 4.462 1.00 0.00 C ATOM 1403 O TRP A 87 -5.904 5.699 5.080 1.00 0.00 O ATOM 1404 CB TRP A 87 -5.871 8.770 4.947 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.563 10.167 4.509 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.460 11.105 4.085 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.267 10.786 4.435 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -5.807 12.265 3.747 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.463 12.096 3.952 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -2.959 10.365 4.727 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.411 12.983 3.752 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -1.917 11.253 4.527 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.148 12.546 4.041 1.00 0.00 C ATOM 0 H TRP A 87 -7.653 7.989 3.382 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.849 8.131 3.192 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.913 8.714 5.261 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.262 8.525 5.817 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.528 10.956 4.024 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.251 13.115 3.399 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -2.771 9.369 5.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.585 13.982 3.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -0.907 10.943 4.750 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.311 13.212 3.891 1.00 0.00 H new ATOM 1424 N MET A 88 -3.860 6.172 4.279 1.00 0.00 N ATOM 1425 CA MET A 88 -3.249 4.955 4.779 1.00 0.00 C ATOM 1426 C MET A 88 -1.879 5.221 5.361 1.00 0.00 C ATOM 1427 O MET A 88 -1.244 6.228 5.067 1.00 0.00 O ATOM 1428 CB MET A 88 -3.100 3.941 3.649 1.00 0.00 C ATOM 1429 CG MET A 88 -4.383 3.663 2.911 1.00 0.00 C ATOM 1430 SD MET A 88 -5.248 2.207 3.506 1.00 0.00 S ATOM 1431 CE MET A 88 -6.605 2.175 2.343 1.00 0.00 C ATOM 0 H MET A 88 -3.218 6.789 3.782 1.00 0.00 H new ATOM 0 HA MET A 88 -3.900 4.564 5.561 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.356 4.306 2.941 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.718 3.006 4.060 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.040 4.528 3.001 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.164 3.538 1.851 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.728 1.164 1.955 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.522 2.485 2.845 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.394 2.856 1.519 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.443 4.296 6.190 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.135 4.362 6.805 1.00 0.00 C ATOM 1443 C ARG A 89 0.680 3.170 6.327 1.00 0.00 C ATOM 1444 O ARG A 89 0.272 2.024 6.512 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.253 4.324 8.324 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.234 5.331 8.886 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.693 5.963 10.152 1.00 0.00 C ATOM 1448 NE ARG A 89 -0.596 5.003 11.250 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.264 5.335 12.494 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.013 6.596 12.796 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.207 4.405 13.438 1.00 0.00 N ATOM 0 H ARG A 89 -1.987 3.476 6.457 1.00 0.00 H new ATOM 0 HA ARG A 89 0.352 5.296 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.558 3.323 8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.729 4.505 8.760 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.432 6.105 8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.184 4.841 9.097 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.292 6.386 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.340 6.788 10.449 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.794 4.023 11.051 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.028 7.314 12.073 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.267 6.848 13.751 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.418 3.433 13.210 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.048 4.661 14.392 1.00 0.00 H new ATOM 1465 N THR A 90 1.827 3.426 5.723 1.00 0.00 N ATOM 1466 CA THR A 90 2.643 2.339 5.200 1.00 0.00 C ATOM 1467 C THR A 90 3.733 1.895 6.154 1.00 0.00 C ATOM 1468 O THR A 90 4.394 2.718 6.792 1.00 0.00 O ATOM 1469 CB THR A 90 3.325 2.717 3.883 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.554 3.399 4.147 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.425 3.593 3.048 1.00 0.00 C ATOM 0 H THR A 90 2.212 4.360 5.583 1.00 0.00 H new ATOM 0 HA THR A 90 1.937 1.522 5.050 1.00 0.00 H new ATOM 0 HB THR A 90 3.532 1.802 3.328 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.305 2.851 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.929 3.850 2.117 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.502 3.058 2.825 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.193 4.505 3.598 1.00 0.00 H new ATOM 1479 N SER A 91 3.906 0.576 6.217 1.00 0.00 N ATOM 1480 CA SER A 91 4.941 -0.050 7.024 1.00 0.00 C ATOM 1481 C SER A 91 5.924 -0.718 6.070 1.00 0.00 C ATOM 1482 O SER A 91 5.986 -1.944 5.971 1.00 0.00 O ATOM 1483 CB SER A 91 4.326 -1.077 7.978 1.00 0.00 C ATOM 1484 OG SER A 91 4.099 -0.513 9.258 1.00 0.00 O ATOM 0 H SER A 91 3.326 -0.089 5.705 1.00 0.00 H new ATOM 0 HA SER A 91 5.454 0.693 7.635 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.385 -1.443 7.566 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.990 -1.937 8.069 1.00 0.00 H new ATOM 0 HG SER A 91 3.704 -1.189 9.848 1.00 0.00 H new ATOM 1490 N SER A 92 6.684 0.114 5.363 1.00 0.00 N ATOM 1491 CA SER A 92 7.631 -0.356 4.358 1.00 0.00 C ATOM 1492 C SER A 92 8.957 -0.801 4.958 1.00 0.00 C ATOM 1493 O SER A 92 9.609 -0.063 5.684 1.00 0.00 O ATOM 1494 CB SER A 92 7.877 0.745 3.333 1.00 0.00 C ATOM 1495 OG SER A 92 6.729 1.562 3.181 1.00 0.00 O ATOM 0 H SER A 92 6.661 1.128 5.470 1.00 0.00 H new ATOM 0 HA SER A 92 7.186 -1.229 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.724 1.356 3.646 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.142 0.301 2.373 1.00 0.00 H new ATOM 0 HG SER A 92 6.731 1.967 2.288 1.00 0.00 H new ATOM 1501 N GLN A 93 9.350 -2.016 4.627 1.00 0.00 N ATOM 1502 CA GLN A 93 10.604 -2.580 5.095 1.00 0.00 C ATOM 1503 C GLN A 93 10.953 -3.799 4.264 1.00 0.00 C ATOM 1504 O GLN A 93 10.081 -4.601 3.943 1.00 0.00 O ATOM 1505 CB GLN A 93 10.521 -2.945 6.570 1.00 0.00 C ATOM 1506 CG GLN A 93 9.489 -4.010 6.885 1.00 0.00 C ATOM 1507 CD GLN A 93 9.521 -4.410 8.341 1.00 0.00 C ATOM 1508 OE1 GLN A 93 8.513 -4.825 8.913 1.00 0.00 O ATOM 1509 NE2 GLN A 93 10.691 -4.280 8.946 1.00 0.00 N ATOM 0 H GLN A 93 8.811 -2.640 4.027 1.00 0.00 H new ATOM 0 HA GLN A 93 11.389 -1.832 4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.499 -3.292 6.903 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.288 -2.048 7.143 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.496 -3.640 6.632 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.670 -4.887 6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.497 -3.931 8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.786 -4.529 9.931 1.00 0.00 H new ATOM 1518 N THR A 94 12.233 -3.942 3.936 1.00 0.00 N ATOM 1519 CA THR A 94 12.699 -5.050 3.110 1.00 0.00 C ATOM 1520 C THR A 94 11.949 -6.335 3.426 1.00 0.00 C ATOM 1521 O THR A 94 11.945 -6.810 4.562 1.00 0.00 O ATOM 1522 CB THR A 94 14.207 -5.262 3.286 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.475 -5.913 4.534 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.919 -3.922 3.244 1.00 0.00 C ATOM 0 H THR A 94 12.969 -3.301 4.231 1.00 0.00 H new ATOM 0 HA THR A 94 12.499 -4.789 2.071 1.00 0.00 H new ATOM 0 HB THR A 94 14.572 -5.893 2.475 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.629 -6.139 4.973 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.991 -4.075 3.369 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.731 -3.440 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.547 -3.287 4.048 1.00 0.00 H new ATOM 1532 N ALA A 95 11.305 -6.874 2.397 1.00 0.00 N ATOM 1533 CA ALA A 95 10.507 -8.087 2.520 1.00 0.00 C ATOM 1534 C ALA A 95 11.242 -9.221 3.231 1.00 0.00 C ATOM 1535 O ALA A 95 12.425 -9.117 3.557 1.00 0.00 O ATOM 1536 CB ALA A 95 10.021 -8.523 1.157 1.00 0.00 C ATOM 0 H ALA A 95 11.322 -6.483 1.455 1.00 0.00 H new ATOM 0 HA ALA A 95 9.651 -7.847 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.425 -9.430 1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.410 -7.734 0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.877 -8.720 0.511 1.00 0.00 H new ATOM 1542 N GLN A 96 10.517 -10.315 3.446 1.00 0.00 N ATOM 1543 CA GLN A 96 11.029 -11.466 4.172 1.00 0.00 C ATOM 1544 C GLN A 96 11.488 -12.621 3.274 1.00 0.00 C ATOM 1545 O GLN A 96 11.150 -13.775 3.538 1.00 0.00 O ATOM 1546 CB GLN A 96 9.928 -11.950 5.093 1.00 0.00 C ATOM 1547 CG GLN A 96 9.290 -10.828 5.888 1.00 0.00 C ATOM 1548 CD GLN A 96 10.177 -10.326 7.011 1.00 0.00 C ATOM 1549 OE1 GLN A 96 10.983 -11.075 7.564 1.00 0.00 O ATOM 1550 NE2 GLN A 96 10.030 -9.052 7.356 1.00 0.00 N ATOM 0 H GLN A 96 9.557 -10.425 3.120 1.00 0.00 H new ATOM 0 HA GLN A 96 11.918 -11.146 4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.161 -12.452 4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.336 -12.690 5.781 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.057 -10.001 5.218 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.345 -11.176 6.305 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.350 -8.467 6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.598 -8.658 8.106 1.00 0.00 H new ATOM 1559 N ASN A 97 12.259 -12.318 2.232 1.00 0.00 N ATOM 1560 CA ASN A 97 12.773 -13.354 1.327 1.00 0.00 C ATOM 1561 C ASN A 97 11.639 -14.119 0.625 1.00 0.00 C ATOM 1562 O ASN A 97 10.587 -14.365 1.215 1.00 0.00 O ATOM 1563 CB ASN A 97 13.663 -14.332 2.106 1.00 0.00 C ATOM 1564 CG ASN A 97 14.081 -15.537 1.287 1.00 0.00 C ATOM 1565 OD1 ASN A 97 13.370 -16.539 1.229 1.00 0.00 O ATOM 1566 ND2 ASN A 97 15.245 -15.447 0.654 1.00 0.00 N ATOM 0 H ASN A 97 12.543 -11.369 1.991 1.00 0.00 H new ATOM 0 HA ASN A 97 13.360 -12.857 0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.554 -13.807 2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.130 -14.671 2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.582 -16.229 0.092 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.802 -14.596 0.730 1.00 0.00 H new ATOM 1573 N PRO A 98 11.835 -14.507 -0.656 1.00 0.00 N ATOM 1574 CA PRO A 98 13.061 -14.245 -1.405 1.00 0.00 C ATOM 1575 C PRO A 98 13.087 -12.816 -1.910 1.00 0.00 C ATOM 1576 O PRO A 98 14.030 -12.382 -2.573 1.00 0.00 O ATOM 1577 CB PRO A 98 12.958 -15.235 -2.558 1.00 0.00 C ATOM 1578 CG PRO A 98 11.508 -15.331 -2.826 1.00 0.00 C ATOM 1579 CD PRO A 98 10.841 -15.206 -1.490 1.00 0.00 C ATOM 0 HA PRO A 98 13.970 -14.361 -0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 98 13.502 -14.883 -3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 98 13.378 -16.204 -2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.181 -14.541 -3.502 1.00 0.00 H new ATOM 0 HG3 PRO A 98 11.259 -16.280 -3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.911 -14.641 -1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 98 10.590 -16.183 -1.077 1.00 0.00 H new ATOM 1587 N TYR A 99 12.026 -12.095 -1.579 1.00 0.00 N ATOM 1588 CA TYR A 99 11.874 -10.706 -1.965 1.00 0.00 C ATOM 1589 C TYR A 99 12.583 -9.804 -0.961 1.00 0.00 C ATOM 1590 O TYR A 99 12.171 -8.673 -0.731 1.00 0.00 O ATOM 1591 CB TYR A 99 10.385 -10.354 -2.035 1.00 0.00 C ATOM 1592 CG TYR A 99 9.494 -11.563 -2.225 1.00 0.00 C ATOM 1593 CD1 TYR A 99 9.581 -12.336 -3.375 1.00 0.00 C ATOM 1594 CD2 TYR A 99 8.576 -11.935 -1.254 1.00 0.00 C ATOM 1595 CE1 TYR A 99 8.775 -13.447 -3.551 1.00 0.00 C ATOM 1596 CE2 TYR A 99 7.767 -13.044 -1.423 1.00 0.00 C ATOM 1597 CZ TYR A 99 7.871 -13.796 -2.573 1.00 0.00 C ATOM 1598 OH TYR A 99 7.067 -14.899 -2.745 1.00 0.00 O ATOM 0 H TYR A 99 11.246 -12.461 -1.033 1.00 0.00 H new ATOM 0 HA TYR A 99 12.323 -10.553 -2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.097 -9.839 -1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.221 -9.657 -2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.289 -12.066 -4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.492 -11.349 -0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.855 -14.038 -4.452 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.057 -13.319 -0.657 1.00 0.00 H new ATOM 0 HH TYR A 99 6.487 -15.006 -1.962 1.00 0.00 H new ATOM 1608 N SER A 100 13.648 -10.317 -0.354 1.00 0.00 N ATOM 1609 CA SER A 100 14.404 -9.548 0.626 1.00 0.00 C ATOM 1610 C SER A 100 14.908 -8.248 0.014 1.00 0.00 C ATOM 1611 O SER A 100 14.958 -7.214 0.680 1.00 0.00 O ATOM 1612 CB SER A 100 15.577 -10.369 1.164 1.00 0.00 C ATOM 1613 OG SER A 100 16.315 -9.635 2.126 1.00 0.00 O ATOM 0 H SER A 100 14.005 -11.257 -0.523 1.00 0.00 H new ATOM 0 HA SER A 100 13.739 -9.306 1.455 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.205 -11.290 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.231 -10.657 0.341 1.00 0.00 H new ATOM 0 HG SER A 100 17.058 -10.182 2.455 1.00 0.00 H new ATOM 1619 N ASP A 101 15.278 -8.307 -1.260 1.00 0.00 N ATOM 1620 CA ASP A 101 15.762 -7.130 -1.969 1.00 0.00 C ATOM 1621 C ASP A 101 14.601 -6.185 -2.259 1.00 0.00 C ATOM 1622 O ASP A 101 14.798 -5.053 -2.702 1.00 0.00 O ATOM 1623 CB ASP A 101 16.450 -7.540 -3.273 1.00 0.00 C ATOM 1624 CG ASP A 101 16.965 -6.348 -4.058 1.00 0.00 C ATOM 1625 OD1 ASP A 101 18.103 -5.910 -3.793 1.00 0.00 O ATOM 1626 OD2 ASP A 101 16.228 -5.855 -4.940 1.00 0.00 O ATOM 0 H ASP A 101 15.252 -9.157 -1.822 1.00 0.00 H new ATOM 0 HA ASP A 101 16.489 -6.615 -1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.281 -8.209 -3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.748 -8.101 -3.890 1.00 0.00 H new ATOM 1631 N GLU A 102 13.387 -6.664 -1.999 1.00 0.00 N ATOM 1632 CA GLU A 102 12.188 -5.881 -2.222 1.00 0.00 C ATOM 1633 C GLU A 102 11.828 -5.078 -0.989 1.00 0.00 C ATOM 1634 O GLU A 102 12.684 -4.775 -0.158 1.00 0.00 O ATOM 1635 CB GLU A 102 11.032 -6.788 -2.587 1.00 0.00 C ATOM 1636 CG GLU A 102 11.257 -7.545 -3.872 1.00 0.00 C ATOM 1637 CD GLU A 102 12.220 -6.852 -4.819 1.00 0.00 C ATOM 1638 OE1 GLU A 102 11.782 -5.937 -5.547 1.00 0.00 O ATOM 1639 OE2 GLU A 102 13.412 -7.226 -4.834 1.00 0.00 O ATOM 0 H GLU A 102 13.214 -7.599 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 102 12.385 -5.192 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.866 -7.499 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.124 -6.191 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.641 -8.538 -3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.300 -7.684 -4.376 1.00 0.00 H new ATOM 1646 N ILE A 103 10.550 -4.747 -0.874 1.00 0.00 N ATOM 1647 CA ILE A 103 10.067 -3.962 0.252 1.00 0.00 C ATOM 1648 C ILE A 103 8.631 -4.313 0.630 1.00 0.00 C ATOM 1649 O ILE A 103 7.687 -4.012 -0.103 1.00 0.00 O ATOM 1650 CB ILE A 103 10.145 -2.447 -0.054 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.588 -2.041 -0.374 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.582 -1.627 1.104 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.739 -0.632 -0.909 1.00 0.00 C ATOM 0 H ILE A 103 9.829 -5.010 -1.546 1.00 0.00 H new ATOM 0 HA ILE A 103 10.716 -4.205 1.093 1.00 0.00 H new ATOM 0 HB ILE A 103 9.532 -2.239 -0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.189 -2.139 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 103 11.995 -2.739 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.648 -0.566 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.539 -1.898 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.156 -1.831 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.791 -0.429 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.169 -0.530 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.366 0.079 -0.172 1.00 0.00 H new ATOM 1665 N GLU A 104 8.485 -4.961 1.779 1.00 0.00 N ATOM 1666 CA GLU A 104 7.181 -5.328 2.304 1.00 0.00 C ATOM 1667 C GLU A 104 6.523 -4.104 2.925 1.00 0.00 C ATOM 1668 O GLU A 104 6.946 -3.628 3.978 1.00 0.00 O ATOM 1669 CB GLU A 104 7.332 -6.417 3.358 1.00 0.00 C ATOM 1670 CG GLU A 104 6.080 -7.241 3.565 1.00 0.00 C ATOM 1671 CD GLU A 104 6.273 -8.362 4.567 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.083 -8.116 5.778 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.616 -9.485 4.143 1.00 0.00 O ATOM 0 H GLU A 104 9.266 -5.245 2.370 1.00 0.00 H new ATOM 0 HA GLU A 104 6.560 -5.704 1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.148 -7.079 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.614 -5.957 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.275 -6.590 3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.767 -7.663 2.610 1.00 0.00 H new ATOM 1680 N THR A 105 5.491 -3.600 2.271 1.00 0.00 N ATOM 1681 CA THR A 105 4.796 -2.417 2.745 1.00 0.00 C ATOM 1682 C THR A 105 3.376 -2.736 3.197 1.00 0.00 C ATOM 1683 O THR A 105 2.519 -3.086 2.386 1.00 0.00 O ATOM 1684 CB THR A 105 4.772 -1.344 1.644 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.087 -0.806 1.484 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.800 -0.222 1.967 1.00 0.00 C ATOM 0 H THR A 105 5.115 -3.993 1.408 1.00 0.00 H new ATOM 0 HA THR A 105 5.340 -2.038 3.611 1.00 0.00 H new ATOM 0 HB THR A 105 4.438 -1.816 0.720 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.179 -0.428 0.584 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.814 0.514 1.163 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.794 -0.630 2.068 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.093 0.255 2.902 1.00 0.00 H new ATOM 1694 N ILE A 106 3.136 -2.610 4.500 1.00 0.00 N ATOM 1695 CA ILE A 106 1.813 -2.873 5.057 1.00 0.00 C ATOM 1696 C ILE A 106 0.974 -1.607 5.065 1.00 0.00 C ATOM 1697 O ILE A 106 1.141 -0.743 5.927 1.00 0.00 O ATOM 1698 CB ILE A 106 1.876 -3.437 6.493 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.561 -4.805 6.503 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.468 -3.542 7.082 1.00 0.00 C ATOM 1701 CD1 ILE A 106 4.062 -4.737 6.318 1.00 0.00 C ATOM 0 H ILE A 106 3.837 -2.329 5.186 1.00 0.00 H new ATOM 0 HA ILE A 106 1.355 -3.625 4.415 1.00 0.00 H new ATOM 0 HB ILE A 106 2.462 -2.754 7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.343 -5.304 7.447 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.134 -5.421 5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.526 -3.941 8.095 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.009 -2.553 7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.136 -4.207 6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.477 -5.745 6.336 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.290 -4.268 5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.502 -4.149 7.124 1.00 0.00 H new ATOM 1713 N ILE A 107 0.076 -1.501 4.099 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.791 -0.342 3.996 1.00 0.00 C ATOM 1715 C ILE A 107 -1.997 -0.471 4.926 1.00 0.00 C ATOM 1716 O ILE A 107 -2.901 -1.266 4.676 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.267 -0.150 2.556 1.00 0.00 C ATOM 1718 CG1 ILE A 107 -0.057 0.069 1.650 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.228 1.025 2.475 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.390 0.030 0.182 1.00 0.00 C ATOM 0 H ILE A 107 -0.070 -2.205 3.375 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.212 0.530 4.298 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.798 -1.041 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.394 1.033 1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.691 -0.694 1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.561 1.153 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.090 0.834 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.723 1.932 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.516 0.193 -0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.813 -0.942 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.114 0.811 -0.048 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.006 0.325 5.992 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.092 0.290 6.969 1.00 0.00 C ATOM 1734 C CYS A 108 -4.039 1.476 6.803 1.00 0.00 C ATOM 1735 O CYS A 108 -3.605 2.619 6.686 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.516 0.285 8.386 1.00 0.00 C ATOM 1737 SG CYS A 108 -3.749 0.507 9.690 1.00 0.00 S ATOM 0 H CYS A 108 -1.273 1.003 6.202 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.663 -0.622 6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -1.995 -0.658 8.551 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -1.772 1.078 8.466 1.00 0.00 H new ATOM 0 HG CYS A 108 -4.828 -0.149 9.383 1.00 0.00 H new ATOM 1743 N THR A 109 -5.336 1.192 6.804 1.00 0.00 N ATOM 1744 CA THR A 109 -6.352 2.229 6.661 1.00 0.00 C ATOM 1745 C THR A 109 -6.354 3.168 7.862 1.00 0.00 C ATOM 1746 O THR A 109 -6.173 2.733 9.000 1.00 0.00 O ATOM 1747 CB THR A 109 -7.756 1.616 6.529 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.025 0.774 7.656 1.00 0.00 O ATOM 1749 CG2 THR A 109 -7.877 0.809 5.250 1.00 0.00 C ATOM 0 H THR A 109 -5.710 0.248 6.903 1.00 0.00 H new ATOM 0 HA THR A 109 -6.106 2.787 5.757 1.00 0.00 H new ATOM 0 HB THR A 109 -8.483 2.428 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 109 -8.678 1.211 8.242 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.879 0.386 5.180 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.696 1.457 4.392 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.143 0.003 5.257 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.558 4.456 7.604 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.597 5.449 8.672 1.00 0.00 C ATOM 1759 C ASN A 110 -7.834 6.337 8.539 1.00 0.00 C ATOM 1760 O ASN A 110 -8.880 6.042 9.115 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.327 6.302 8.663 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.108 7.018 9.982 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -6.062 7.432 10.643 1.00 0.00 O ATOM 1764 ND2 ASN A 110 -3.849 7.158 10.380 1.00 0.00 N ATOM 0 H ASN A 110 -6.698 4.836 6.668 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.652 4.921 9.624 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.467 5.668 8.449 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.390 7.036 7.859 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.642 7.623 11.264 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.089 6.800 9.802 1.00 0.00 H new ATOM 1771 N THR A 111 -7.702 7.422 7.773 1.00 0.00 N ATOM 1772 CA THR A 111 -8.804 8.360 7.551 1.00 0.00 C ATOM 1773 C THR A 111 -9.455 8.792 8.864 1.00 0.00 C ATOM 1774 O THR A 111 -8.958 8.488 9.948 1.00 0.00 O ATOM 1775 CB THR A 111 -9.883 7.755 6.631 1.00 0.00 C ATOM 1776 OG1 THR A 111 -10.558 6.683 7.300 1.00 0.00 O ATOM 1777 CG2 THR A 111 -9.267 7.241 5.339 1.00 0.00 C ATOM 0 H THR A 111 -6.838 7.673 7.294 1.00 0.00 H new ATOM 0 HA THR A 111 -8.369 9.235 7.068 1.00 0.00 H new ATOM 0 HB THR A 111 -10.600 8.540 6.389 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.196 6.582 8.205 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.048 6.819 4.706 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.781 8.064 4.815 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.530 6.471 5.568 1.00 0.00 H new ATOM 1785 N ASN A 112 -10.572 9.512 8.754 1.00 0.00 N ATOM 1786 CA ASN A 112 -11.302 9.988 9.925 1.00 0.00 C ATOM 1787 C ASN A 112 -12.595 10.687 9.515 1.00 0.00 C ATOM 1788 O ASN A 112 -13.144 11.491 10.270 1.00 0.00 O ATOM 1789 CB ASN A 112 -10.435 10.942 10.752 1.00 0.00 C ATOM 1790 CG ASN A 112 -9.883 12.092 9.932 1.00 0.00 C ATOM 1791 OD1 ASN A 112 -10.490 12.520 8.950 1.00 0.00 O ATOM 1792 ND2 ASN A 112 -8.725 12.603 10.335 1.00 0.00 N ATOM 0 H ASN A 112 -10.990 9.778 7.862 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.554 9.121 10.535 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -11.026 11.340 11.577 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.608 10.385 11.192 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.306 13.380 9.825 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -8.255 12.218 11.154 1.00 0.00 H new ATOM 1799 N VAL A 113 -13.080 10.375 8.316 1.00 0.00 N ATOM 1800 CA VAL A 113 -14.308 10.976 7.807 1.00 0.00 C ATOM 1801 C VAL A 113 -15.292 9.905 7.341 1.00 0.00 C ATOM 1802 O VAL A 113 -14.892 8.801 6.970 1.00 0.00 O ATOM 1803 CB VAL A 113 -14.018 11.938 6.637 1.00 0.00 C ATOM 1804 CG1 VAL A 113 -15.281 12.670 6.210 1.00 0.00 C ATOM 1805 CG2 VAL A 113 -12.925 12.926 7.014 1.00 0.00 C ATOM 0 H VAL A 113 -12.641 9.710 7.680 1.00 0.00 H new ATOM 0 HA VAL A 113 -14.751 11.539 8.629 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.668 11.347 5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -15.050 13.342 5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -16.031 11.946 5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -15.669 13.247 7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.735 13.596 6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -13.243 13.508 7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.012 12.383 7.258 1.00 0.00 H new ATOM 1815 N LYS A 114 -16.581 10.240 7.364 1.00 0.00 N ATOM 1816 CA LYS A 114 -17.624 9.310 6.941 1.00 0.00 C ATOM 1817 C LYS A 114 -17.576 9.088 5.429 1.00 0.00 C ATOM 1818 O LYS A 114 -16.508 9.160 4.820 1.00 0.00 O ATOM 1819 CB LYS A 114 -18.999 9.842 7.352 1.00 0.00 C ATOM 1820 CG LYS A 114 -19.192 9.932 8.856 1.00 0.00 C ATOM 1821 CD LYS A 114 -20.591 10.411 9.210 1.00 0.00 C ATOM 1822 CE LYS A 114 -20.813 10.420 10.714 1.00 0.00 C ATOM 1823 NZ LYS A 114 -22.198 10.836 11.070 1.00 0.00 N ATOM 0 H LYS A 114 -16.927 11.149 7.671 1.00 0.00 H new ATOM 0 HA LYS A 114 -17.450 8.353 7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -19.142 10.831 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -19.770 9.195 6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -19.016 8.955 9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -18.455 10.615 9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -20.745 11.414 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -21.329 9.764 8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -20.619 9.425 11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -20.099 11.098 11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -22.308 10.829 12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -22.376 11.795 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -22.879 10.175 10.645 1.00 0.00 H new ATOM 1837 N ASN A 115 -18.738 8.810 4.834 1.00 0.00 N ATOM 1838 CA ASN A 115 -18.844 8.576 3.395 1.00 0.00 C ATOM 1839 C ASN A 115 -18.127 7.290 2.990 1.00 0.00 C ATOM 1840 O ASN A 115 -18.759 6.252 2.803 1.00 0.00 O ATOM 1841 CB ASN A 115 -18.281 9.764 2.608 1.00 0.00 C ATOM 1842 CG ASN A 115 -18.993 11.063 2.932 1.00 0.00 C ATOM 1843 OD1 ASN A 115 -20.183 11.071 3.248 1.00 0.00 O ATOM 1844 ND2 ASN A 115 -18.266 12.172 2.855 1.00 0.00 N ATOM 0 H ASN A 115 -19.625 8.741 5.333 1.00 0.00 H new ATOM 0 HA ASN A 115 -19.902 8.467 3.156 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -17.219 9.871 2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -18.367 9.562 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -18.691 13.076 3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -17.283 12.120 2.589 1.00 0.00 H new ATOM 1851 N SER A 116 -16.805 7.367 2.856 1.00 0.00 N ATOM 1852 CA SER A 116 -16.009 6.205 2.476 1.00 0.00 C ATOM 1853 C SER A 116 -16.165 5.087 3.501 1.00 0.00 C ATOM 1854 O SER A 116 -16.015 5.308 4.703 1.00 0.00 O ATOM 1855 CB SER A 116 -14.534 6.593 2.342 1.00 0.00 C ATOM 1856 OG SER A 116 -13.748 5.484 1.946 1.00 0.00 O ATOM 0 H SER A 116 -16.265 8.219 3.005 1.00 0.00 H new ATOM 0 HA SER A 116 -16.369 5.844 1.512 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.431 7.395 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.169 6.980 3.293 1.00 0.00 H new ATOM 0 HG SER A 116 -13.008 5.365 2.577 1.00 0.00 H new ATOM 1862 N SER A 117 -16.466 3.884 3.018 1.00 0.00 N ATOM 1863 CA SER A 117 -16.649 2.732 3.894 1.00 0.00 C ATOM 1864 C SER A 117 -15.327 2.307 4.532 1.00 0.00 C ATOM 1865 O SER A 117 -14.915 2.877 5.541 1.00 0.00 O ATOM 1866 CB SER A 117 -17.270 1.565 3.121 1.00 0.00 C ATOM 1867 OG SER A 117 -16.553 1.302 1.927 1.00 0.00 O ATOM 0 H SER A 117 -16.588 3.683 2.026 1.00 0.00 H new ATOM 0 HA SER A 117 -17.330 3.023 4.694 1.00 0.00 H new ATOM 0 HB2 SER A 117 -17.278 0.673 3.748 1.00 0.00 H new ATOM 0 HB3 SER A 117 -18.308 1.795 2.882 1.00 0.00 H new ATOM 0 HG SER A 117 -16.969 0.552 1.454 1.00 0.00 H new ATOM 1873 N GLN A 118 -14.672 1.305 3.934 1.00 0.00 N ATOM 1874 CA GLN A 118 -13.395 0.784 4.431 1.00 0.00 C ATOM 1875 C GLN A 118 -13.420 0.572 5.946 1.00 0.00 C ATOM 1876 O GLN A 118 -14.468 0.688 6.585 1.00 0.00 O ATOM 1877 CB GLN A 118 -12.240 1.719 4.037 1.00 0.00 C ATOM 1878 CG GLN A 118 -12.052 2.911 4.965 1.00 0.00 C ATOM 1879 CD GLN A 118 -10.999 3.879 4.462 1.00 0.00 C ATOM 1880 OE1 GLN A 118 -11.309 4.839 3.759 1.00 0.00 O ATOM 1881 NE2 GLN A 118 -9.744 3.626 4.817 1.00 0.00 N ATOM 0 H GLN A 118 -15.011 0.835 3.095 1.00 0.00 H new ATOM 0 HA GLN A 118 -13.235 -0.188 3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.315 1.143 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -12.414 2.085 3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.001 3.436 5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -11.770 2.555 5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -9.533 2.818 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.992 4.240 4.505 1.00 0.00 H new ATOM 1890 N GLU A 119 -12.267 0.233 6.516 1.00 0.00 N ATOM 1891 CA GLU A 119 -12.170 0.019 7.957 1.00 0.00 C ATOM 1892 C GLU A 119 -10.716 0.030 8.412 1.00 0.00 C ATOM 1893 O GLU A 119 -10.033 -0.998 8.231 1.00 0.00 O ATOM 1894 CB GLU A 119 -12.832 -1.304 8.348 1.00 0.00 C ATOM 1895 CG GLU A 119 -13.303 -1.352 9.795 1.00 0.00 C ATOM 1896 CD GLU A 119 -12.165 -1.229 10.790 1.00 0.00 C ATOM 1897 OE1 GLU A 119 -11.578 -2.270 11.152 1.00 0.00 O ATOM 1898 OE2 GLU A 119 -11.863 -0.091 11.208 1.00 0.00 O ATOM 1899 OXT GLU A 119 -10.274 1.068 8.949 1.00 0.00 O ATOM 0 H GLU A 119 -11.393 0.101 6.007 1.00 0.00 H new ATOM 0 HA GLU A 119 -12.693 0.836 8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.685 -1.481 7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.126 -2.117 8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.017 -0.547 9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.831 -2.289 9.969 1.00 0.00 H new TER 1906 GLU A 119