USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=30 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 75 MET CE :methyl 180:sc= -4.56 (180deg=-3.13) USER MOD Set 1.2: A 110 ASN : amide:sc= -2.76 X(o=-7.3,f=-7.6!) USER MOD Set 2.1: A 63 GLN : amide:sc= -0.532 K(o=-0.52,f=-2.4) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 170:sc= 0.0114 (180deg=0) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -2.83 K(o=-3.3,f=-21!) USER MOD Set 3.2: A 60 SER OG : rot -153:sc= -0.401 USER MOD Set 3.3: A 90 THR OG1 : rot 115:sc= -2.25! USER MOD Set 3.4: A 92 SER OG : rot -160:sc= 1.18 USER MOD Set 3.5: A 105 THR OG1 : rot 154:sc= 1.02 USER MOD Set 4.1: A 8 GLN : amide:sc= -0.848 K(o=-5.4,f=-2) USER MOD Set 4.2: A 117 SER OG : rot 180:sc= -0.0586 USER MOD Set 4.3: A 118 GLN : amide:sc= -4.45! C(o=-5.4!,f=-2!) USER MOD Set 5.1: A 3 MET CE :methyl -119:sc= -1.24 (180deg=-3.62!) USER MOD Set 5.2: A 5 ASN : amide:sc= -4.53! K(o=-5.8!,f=-2.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 180:sc= -1.01 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -134:sc= -2.3! USER MOD Single : A 17 ASN : amide:sc= -4.2 K(o=-4.2,f=-17!) USER MOD Single : A 23 THR OG1 : rot 141:sc= 1.12 USER MOD Single : A 27 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.14) USER MOD Single : A 29 CYS SG : rot 73:sc= -3.08 USER MOD Single : A 32 THR OG1 : rot 72:sc= 0.888 USER MOD Single : A 35 TYR OH : rot 30:sc= -0.115 USER MOD Single : A 36 GLN : amide:sc= -0.0768 K(o=-0.077,f=-0.82) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 0.0814 (180deg=0.0219) USER MOD Single : A 44 ASN : amide:sc= -4.32! C(o=-4.3!,f=-6.6!) USER MOD Single : A 49 CYS SG : rot -53:sc= -2.35 USER MOD Single : A 50 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-5.8!) USER MOD Single : A 54 GLN : amide:sc= -3.06! C(o=-3.1!,f=-4.3!) USER MOD Single : A 55 GLN : amide:sc= 0.175 X(o=0.17,f=-0.094) USER MOD Single : A 62 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.31) USER MOD Single : A 68 LYS NZ :NH3+ -149:sc= -0.421 (180deg=-2.03!) USER MOD Single : A 70 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.22) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 57:sc= -4.01! USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= -0.0033 (180deg=-0.124) USER MOD Single : A 82 ASN : amide:sc= -1.82 K(o=-1.8,f=-6.7!) USER MOD Single : A 83 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.66) USER MOD Single : A 88 MET CE :methyl 142:sc= -9.12! (180deg=-11.8!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.086) USER MOD Single : A 94 THR OG1 : rot 4:sc= 0.446 USER MOD Single : A 96 GLN : amide:sc= -0.0195 X(o=-0.019,f=-0.39) USER MOD Single : A 97 ASN : amide:sc= -1.6! C(o=-1.6!,f=-4.1!) 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 37:sc= 1.12 USER MOD Single : A 109 THR OG1 : rot -130:sc= -0.588 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.361 USER MOD Single : A 112 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.8!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.603 K(o=-0.6,f=-0.092) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.902 -21.797 -5.237 1.00 0.00 N ATOM 2 CA GLY A 1 -12.680 -21.372 -6.647 1.00 0.00 C ATOM 3 C GLY A 1 -11.269 -20.872 -6.886 1.00 0.00 C ATOM 4 O GLY A 1 -10.391 -21.639 -7.279 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.881 -22.130 -5.125 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.245 -22.567 -4.999 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.736 -20.991 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.882 -22.211 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.389 -20.585 -6.902 1.00 0.00 H new ATOM 10 N ALA A 2 -11.052 -19.582 -6.648 1.00 0.00 N ATOM 11 CA ALA A 2 -9.737 -18.981 -6.841 1.00 0.00 C ATOM 12 C ALA A 2 -9.483 -17.873 -5.827 1.00 0.00 C ATOM 13 O ALA A 2 -8.540 -17.944 -5.037 1.00 0.00 O ATOM 14 CB ALA A 2 -9.609 -18.440 -8.258 1.00 0.00 C ATOM 0 H ALA A 2 -11.769 -18.934 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.986 -19.756 -6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.623 -17.994 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.737 -19.254 -8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.375 -17.684 -8.429 1.00 0.00 H new ATOM 20 N MET A 3 -10.329 -16.848 -5.854 1.00 0.00 N ATOM 21 CA MET A 3 -10.195 -15.720 -4.940 1.00 0.00 C ATOM 22 C MET A 3 -11.174 -15.844 -3.777 1.00 0.00 C ATOM 23 O MET A 3 -12.316 -16.270 -3.955 1.00 0.00 O ATOM 24 CB MET A 3 -10.433 -14.407 -5.687 1.00 0.00 C ATOM 25 CG MET A 3 -9.612 -14.276 -6.959 1.00 0.00 C ATOM 26 SD MET A 3 -9.794 -12.663 -7.741 1.00 0.00 S ATOM 27 CE MET A 3 -9.065 -11.603 -6.497 1.00 0.00 C ATOM 0 H MET A 3 -11.115 -16.776 -6.500 1.00 0.00 H new ATOM 0 HA MET A 3 -9.182 -15.724 -4.538 1.00 0.00 H new ATOM 0 HB2 MET A 3 -11.491 -14.327 -5.937 1.00 0.00 H new ATOM 0 HB3 MET A 3 -10.198 -13.574 -5.025 1.00 0.00 H new ATOM 0 HG2 MET A 3 -8.561 -14.446 -6.727 1.00 0.00 H new ATOM 0 HG3 MET A 3 -9.913 -15.052 -7.662 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.811 -10.892 -6.142 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.715 -12.210 -5.662 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.224 -11.060 -6.929 1.00 0.00 H new ATOM 37 N ASP A 4 -10.719 -15.468 -2.585 1.00 0.00 N ATOM 38 CA ASP A 4 -11.549 -15.539 -1.388 1.00 0.00 C ATOM 39 C ASP A 4 -12.226 -14.201 -1.109 1.00 0.00 C ATOM 40 O ASP A 4 -13.453 -14.113 -1.086 1.00 0.00 O ATOM 41 CB ASP A 4 -10.707 -15.957 -0.181 1.00 0.00 C ATOM 42 CG ASP A 4 -11.510 -15.980 1.106 1.00 0.00 C ATOM 43 OD1 ASP A 4 -12.095 -17.037 1.421 1.00 0.00 O ATOM 44 OD2 ASP A 4 -11.556 -14.940 1.797 1.00 0.00 O ATOM 0 H ASP A 4 -9.778 -15.110 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.323 -16.287 -1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.286 -16.946 -0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.869 -15.269 -0.071 1.00 0.00 H new ATOM 49 N ASN A 5 -11.415 -13.166 -0.898 1.00 0.00 N ATOM 50 CA ASN A 5 -11.926 -11.824 -0.616 1.00 0.00 C ATOM 51 C ASN A 5 -12.676 -11.794 0.715 1.00 0.00 C ATOM 52 O ASN A 5 -13.592 -12.584 0.944 1.00 0.00 O ATOM 53 CB ASN A 5 -12.840 -11.349 -1.749 1.00 0.00 C ATOM 54 CG ASN A 5 -12.162 -11.408 -3.104 1.00 0.00 C ATOM 55 OD1 ASN A 5 -12.241 -12.416 -3.806 1.00 0.00 O ATOM 56 ND2 ASN A 5 -11.488 -10.326 -3.478 1.00 0.00 N ATOM 0 H ASN A 5 -10.397 -13.231 -0.917 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.075 -11.147 -0.545 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -13.739 -11.965 -1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -13.159 -10.326 -1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.010 -10.309 -4.379 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.449 -9.512 -2.864 1.00 0.00 H new ATOM 63 N VAL A 6 -12.280 -10.874 1.589 1.00 0.00 N ATOM 64 CA VAL A 6 -12.908 -10.745 2.902 1.00 0.00 C ATOM 65 C VAL A 6 -14.017 -9.699 2.895 1.00 0.00 C ATOM 66 O VAL A 6 -14.269 -9.051 1.879 1.00 0.00 O ATOM 67 CB VAL A 6 -11.877 -10.371 3.983 1.00 0.00 C ATOM 68 CG1 VAL A 6 -10.937 -11.535 4.250 1.00 0.00 C ATOM 69 CG2 VAL A 6 -11.097 -9.132 3.569 1.00 0.00 C ATOM 0 H VAL A 6 -11.528 -10.207 1.413 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.339 -11.719 3.135 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.411 -10.146 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.216 -11.252 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.512 -12.396 4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.409 -11.794 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.373 -8.882 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.573 -9.327 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.785 -8.298 3.432 1.00 0.00 H new ATOM 79 N CYS A 7 -14.676 -9.540 4.040 1.00 0.00 N ATOM 80 CA CYS A 7 -15.758 -8.574 4.174 1.00 0.00 C ATOM 81 C CYS A 7 -15.206 -7.158 4.294 1.00 0.00 C ATOM 82 O CYS A 7 -15.315 -6.359 3.363 1.00 0.00 O ATOM 83 CB CYS A 7 -16.621 -8.905 5.393 1.00 0.00 C ATOM 84 SG CYS A 7 -18.033 -7.799 5.621 1.00 0.00 S ATOM 0 H CYS A 7 -14.478 -10.070 4.889 1.00 0.00 H new ATOM 0 HA CYS A 7 -16.376 -8.630 3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -16.986 -9.928 5.299 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -15.998 -8.870 6.286 1.00 0.00 H new ATOM 0 HG CYS A 7 -18.702 -8.161 6.675 1.00 0.00 H new ATOM 90 N GLN A 8 -14.610 -6.852 5.444 1.00 0.00 N ATOM 91 CA GLN A 8 -14.040 -5.531 5.677 1.00 0.00 C ATOM 92 C GLN A 8 -12.526 -5.614 5.870 1.00 0.00 C ATOM 93 O GLN A 8 -12.004 -6.619 6.351 1.00 0.00 O ATOM 94 CB GLN A 8 -14.686 -4.869 6.889 1.00 0.00 C ATOM 95 CG GLN A 8 -16.205 -4.844 6.829 1.00 0.00 C ATOM 96 CD GLN A 8 -16.835 -4.266 8.082 1.00 0.00 C ATOM 97 OE1 GLN A 8 -17.938 -4.651 8.469 1.00 0.00 O ATOM 98 NE2 GLN A 8 -16.139 -3.333 8.722 1.00 0.00 N ATOM 0 H GLN A 8 -14.510 -7.500 6.226 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.243 -4.922 4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.375 -5.397 7.790 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.317 -3.847 6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.520 -4.257 5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.574 -5.858 6.677 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.228 -3.043 8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.516 -2.907 9.569 1.00 0.00 H new ATOM 107 N PRO A 9 -11.806 -4.545 5.489 1.00 0.00 N ATOM 108 CA PRO A 9 -10.351 -4.472 5.592 1.00 0.00 C ATOM 109 C PRO A 9 -9.850 -3.854 6.894 1.00 0.00 C ATOM 110 O PRO A 9 -10.549 -3.827 7.908 1.00 0.00 O ATOM 111 CB PRO A 9 -10.016 -3.546 4.440 1.00 0.00 C ATOM 112 CG PRO A 9 -11.120 -2.553 4.470 1.00 0.00 C ATOM 113 CD PRO A 9 -12.353 -3.310 4.901 1.00 0.00 C ATOM 0 HA PRO A 9 -9.893 -5.461 5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.044 -3.071 4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.981 -4.081 3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.897 -1.743 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.264 -2.100 3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.939 -2.745 5.626 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.009 -3.523 4.057 1.00 0.00 H new ATOM 121 N THR A 10 -8.619 -3.353 6.825 1.00 0.00 N ATOM 122 CA THR A 10 -7.942 -2.712 7.945 1.00 0.00 C ATOM 123 C THR A 10 -6.522 -2.359 7.521 1.00 0.00 C ATOM 124 O THR A 10 -6.033 -1.257 7.760 1.00 0.00 O ATOM 125 CB THR A 10 -7.896 -3.622 9.191 1.00 0.00 C ATOM 126 OG1 THR A 10 -7.037 -3.055 10.186 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.413 -5.016 8.831 1.00 0.00 C ATOM 0 H THR A 10 -8.056 -3.382 5.975 1.00 0.00 H new ATOM 0 HA THR A 10 -8.501 -1.816 8.214 1.00 0.00 H new ATOM 0 HB THR A 10 -8.908 -3.699 9.589 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.017 -3.640 10.972 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.390 -5.636 9.727 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.091 -5.459 8.101 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.411 -4.955 8.406 1.00 0.00 H new ATOM 135 N GLU A 11 -5.881 -3.329 6.881 1.00 0.00 N ATOM 136 CA GLU A 11 -4.528 -3.190 6.362 1.00 0.00 C ATOM 137 C GLU A 11 -4.226 -4.368 5.462 1.00 0.00 C ATOM 138 O GLU A 11 -4.543 -5.509 5.797 1.00 0.00 O ATOM 139 CB GLU A 11 -3.498 -3.118 7.482 1.00 0.00 C ATOM 140 CG GLU A 11 -3.524 -4.320 8.403 1.00 0.00 C ATOM 141 CD GLU A 11 -2.451 -4.263 9.473 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.665 -3.574 10.493 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.396 -4.905 9.292 1.00 0.00 O ATOM 0 H GLU A 11 -6.292 -4.246 6.706 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.467 -2.257 5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.504 -3.026 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.673 -2.216 8.069 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.502 -4.386 8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.395 -5.227 7.813 1.00 0.00 H new ATOM 150 N PHE A 12 -3.619 -4.100 4.324 1.00 0.00 N ATOM 151 CA PHE A 12 -3.291 -5.170 3.402 1.00 0.00 C ATOM 152 C PHE A 12 -1.803 -5.172 3.116 1.00 0.00 C ATOM 153 O PHE A 12 -1.216 -4.147 2.766 1.00 0.00 O ATOM 154 CB PHE A 12 -4.124 -5.082 2.114 1.00 0.00 C ATOM 155 CG PHE A 12 -3.699 -4.030 1.127 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.733 -4.307 0.174 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.290 -2.776 1.131 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.363 -3.353 -0.754 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.926 -1.819 0.203 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.960 -2.110 -0.741 1.00 0.00 C ATOM 0 H PHE A 12 -3.346 -3.166 4.018 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.547 -6.120 3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.093 -6.052 1.618 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.163 -4.897 2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.264 -5.280 0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.044 -2.544 1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.606 -3.581 -1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.395 -0.846 0.216 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.673 -1.365 -1.468 1.00 0.00 H new ATOM 170 N ILE A 13 -1.195 -6.335 3.285 1.00 0.00 N ATOM 171 CA ILE A 13 0.230 -6.483 3.076 1.00 0.00 C ATOM 172 C ILE A 13 0.570 -6.635 1.607 1.00 0.00 C ATOM 173 O ILE A 13 0.321 -7.677 1.008 1.00 0.00 O ATOM 174 CB ILE A 13 0.779 -7.699 3.836 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.379 -7.637 5.310 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.289 -7.758 3.686 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.069 -8.992 5.906 1.00 0.00 C ATOM 0 H ILE A 13 -1.671 -7.192 3.568 1.00 0.00 H new ATOM 0 HA ILE A 13 0.694 -5.573 3.456 1.00 0.00 H new ATOM 0 HB ILE A 13 0.350 -8.607 3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.186 -7.174 5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.495 -6.994 5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.675 -8.622 4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.547 -7.846 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.731 -6.848 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.207 -8.874 6.954 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.758 -9.448 5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.949 -9.632 5.833 1.00 0.00 H new ATOM 189 N SER A 14 1.137 -5.590 1.028 1.00 0.00 N ATOM 190 CA SER A 14 1.536 -5.629 -0.366 1.00 0.00 C ATOM 191 C SER A 14 3.035 -5.462 -0.469 1.00 0.00 C ATOM 192 O SER A 14 3.607 -4.512 0.065 1.00 0.00 O ATOM 193 CB SER A 14 0.833 -4.529 -1.159 1.00 0.00 C ATOM 194 OG SER A 14 0.630 -4.921 -2.501 1.00 0.00 O ATOM 0 H SER A 14 1.330 -4.707 1.501 1.00 0.00 H new ATOM 0 HA SER A 14 1.248 -6.593 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.126 -4.298 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.429 -3.617 -1.129 1.00 0.00 H new ATOM 0 HG SER A 14 0.890 -4.189 -3.099 1.00 0.00 H new ATOM 200 N ARG A 15 3.665 -6.391 -1.160 1.00 0.00 N ATOM 201 CA ARG A 15 5.093 -6.347 -1.355 1.00 0.00 C ATOM 202 C ARG A 15 5.379 -5.671 -2.671 1.00 0.00 C ATOM 203 O ARG A 15 4.515 -5.630 -3.545 1.00 0.00 O ATOM 204 CB ARG A 15 5.690 -7.749 -1.326 1.00 0.00 C ATOM 205 CG ARG A 15 5.893 -8.288 0.080 1.00 0.00 C ATOM 206 CD ARG A 15 6.512 -9.677 0.065 1.00 0.00 C ATOM 207 NE ARG A 15 5.629 -10.662 -0.552 1.00 0.00 N ATOM 208 CZ ARG A 15 5.288 -11.813 0.022 1.00 0.00 C ATOM 209 NH1 ARG A 15 5.744 -12.115 1.231 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.491 -12.662 -0.611 1.00 0.00 N ATOM 0 H ARG A 15 3.203 -7.189 -1.597 1.00 0.00 H new ATOM 0 HA ARG A 15 5.554 -5.782 -0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.036 -8.426 -1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.648 -7.739 -1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.535 -7.609 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.935 -8.322 0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.457 -9.647 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.740 -9.983 1.086 1.00 0.00 H new ATOM 0 HE ARG A 15 5.251 -10.456 -1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.357 -11.464 1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.481 -12.998 1.669 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.138 -12.434 -1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.231 -13.544 -0.169 1.00 0.00 H new ATOM 224 N HIS A 16 6.576 -5.138 -2.817 1.00 0.00 N ATOM 225 CA HIS A 16 6.926 -4.442 -4.036 1.00 0.00 C ATOM 226 C HIS A 16 8.413 -4.132 -4.087 1.00 0.00 C ATOM 227 O HIS A 16 9.153 -4.414 -3.145 1.00 0.00 O ATOM 228 CB HIS A 16 6.136 -3.139 -4.104 1.00 0.00 C ATOM 229 CG HIS A 16 6.409 -2.244 -2.939 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.666 -1.767 -2.649 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.591 -1.754 -1.975 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.618 -1.027 -1.564 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.370 -0.999 -1.135 1.00 0.00 N ATOM 0 H HIS A 16 7.314 -5.173 -2.114 1.00 0.00 H new ATOM 0 HA HIS A 16 6.684 -5.082 -4.884 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.384 -2.615 -5.027 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.070 -3.365 -4.143 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.507 -1.958 -3.193 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.528 -1.925 -1.885 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.457 -0.527 -1.102 1.00 0.00 H new ATOM 242 N ASN A 17 8.840 -3.548 -5.197 1.00 0.00 N ATOM 243 CA ASN A 17 10.229 -3.156 -5.364 1.00 0.00 C ATOM 244 C ASN A 17 10.399 -1.729 -4.862 1.00 0.00 C ATOM 245 O ASN A 17 9.421 -1.092 -4.475 1.00 0.00 O ATOM 246 CB ASN A 17 10.651 -3.259 -6.831 1.00 0.00 C ATOM 247 CG ASN A 17 9.726 -2.500 -7.760 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.987 -1.615 -7.335 1.00 0.00 O ATOM 249 ND2 ASN A 17 9.775 -2.835 -9.045 1.00 0.00 N ATOM 0 H ASN A 17 8.242 -3.335 -5.996 1.00 0.00 H new ATOM 0 HA ASN A 17 10.865 -3.828 -4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.665 -2.875 -6.941 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.674 -4.308 -7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.184 -2.351 -9.721 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.403 -3.576 -9.355 1.00 0.00 H new ATOM 256 N ILE A 18 11.620 -1.221 -4.862 1.00 0.00 N ATOM 257 CA ILE A 18 11.855 0.137 -4.391 1.00 0.00 C ATOM 258 C ILE A 18 10.918 1.124 -5.086 1.00 0.00 C ATOM 259 O ILE A 18 10.430 2.074 -4.471 1.00 0.00 O ATOM 260 CB ILE A 18 13.306 0.580 -4.627 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.528 1.972 -4.033 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.619 0.563 -6.115 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.333 2.032 -2.535 1.00 0.00 C ATOM 0 H ILE A 18 12.453 -1.718 -5.177 1.00 0.00 H new ATOM 0 HA ILE A 18 11.659 0.135 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 18 13.983 -0.115 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.539 2.302 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.842 2.674 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.650 0.879 -6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.485 -0.446 -6.504 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.947 1.245 -6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.507 3.050 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.314 1.733 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.037 1.356 -2.049 1.00 0.00 H new ATOM 275 N GLU A 19 10.669 0.886 -6.372 1.00 0.00 N ATOM 276 CA GLU A 19 9.781 1.745 -7.158 1.00 0.00 C ATOM 277 C GLU A 19 8.401 1.773 -6.535 1.00 0.00 C ATOM 278 O GLU A 19 7.701 2.785 -6.568 1.00 0.00 O ATOM 279 CB GLU A 19 9.631 1.216 -8.588 1.00 0.00 C ATOM 280 CG GLU A 19 10.808 1.491 -9.500 1.00 0.00 C ATOM 281 CD GLU A 19 11.218 2.951 -9.511 1.00 0.00 C ATOM 282 OE1 GLU A 19 10.630 3.727 -10.293 1.00 0.00 O ATOM 283 OE2 GLU A 19 12.126 3.318 -8.737 1.00 0.00 O ATOM 0 H GLU A 19 11.069 0.106 -6.893 1.00 0.00 H new ATOM 0 HA GLU A 19 10.221 2.742 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.468 0.139 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.738 1.657 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.656 0.883 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.555 1.182 -10.514 1.00 0.00 H new ATOM 290 N GLY A 20 8.030 0.643 -5.963 1.00 0.00 N ATOM 291 CA GLY A 20 6.728 0.506 -5.357 1.00 0.00 C ATOM 292 C GLY A 20 5.883 -0.509 -6.097 1.00 0.00 C ATOM 293 O GLY A 20 4.796 -0.871 -5.646 1.00 0.00 O ATOM 0 H GLY A 20 8.615 -0.191 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.839 0.201 -4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.222 1.471 -5.354 1.00 0.00 H new ATOM 297 N ILE A 21 6.389 -0.967 -7.246 1.00 0.00 N ATOM 298 CA ILE A 21 5.694 -1.951 -8.050 1.00 0.00 C ATOM 299 C ILE A 21 5.383 -3.186 -7.229 1.00 0.00 C ATOM 300 O ILE A 21 6.285 -3.909 -6.812 1.00 0.00 O ATOM 301 CB ILE A 21 6.524 -2.377 -9.254 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.140 -1.147 -9.939 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.646 -3.189 -10.192 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.159 -0.299 -10.716 1.00 0.00 C ATOM 0 H ILE A 21 7.283 -0.664 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 21 4.772 -1.484 -8.395 1.00 0.00 H new ATOM 0 HB ILE A 21 7.356 -3.007 -8.940 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.615 -0.525 -9.180 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.926 -1.481 -10.616 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.230 -3.500 -11.059 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.274 -4.070 -9.670 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.804 -2.580 -10.521 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.683 0.545 -11.164 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.701 -0.900 -11.501 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.385 0.070 -10.043 1.00 0.00 H new ATOM 316 N PHE A 22 4.104 -3.448 -7.055 1.00 0.00 N ATOM 317 CA PHE A 22 3.649 -4.560 -6.247 1.00 0.00 C ATOM 318 C PHE A 22 4.086 -5.917 -6.778 1.00 0.00 C ATOM 319 O PHE A 22 3.587 -6.396 -7.792 1.00 0.00 O ATOM 320 CB PHE A 22 2.136 -4.520 -6.154 1.00 0.00 C ATOM 321 CG PHE A 22 1.609 -3.437 -5.253 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.245 -3.112 -4.061 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.467 -2.746 -5.600 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.739 -2.116 -3.244 1.00 0.00 C ATOM 325 CE2 PHE A 22 -0.042 -1.758 -4.790 1.00 0.00 C ATOM 326 CZ PHE A 22 0.592 -1.441 -3.614 1.00 0.00 C ATOM 0 H PHE A 22 3.352 -2.897 -7.469 1.00 0.00 H new ATOM 0 HA PHE A 22 4.109 -4.447 -5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.724 -4.380 -7.153 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.778 -5.485 -5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.141 -3.641 -3.770 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.037 -2.985 -6.525 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.239 -1.867 -2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.940 -1.232 -5.079 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.194 -0.664 -2.978 1.00 0.00 H new ATOM 336 N THR A 23 5.023 -6.531 -6.076 1.00 0.00 N ATOM 337 CA THR A 23 5.491 -7.855 -6.427 1.00 0.00 C ATOM 338 C THR A 23 4.599 -8.878 -5.731 1.00 0.00 C ATOM 339 O THR A 23 4.740 -10.088 -5.905 1.00 0.00 O ATOM 340 CB THR A 23 6.959 -8.051 -6.018 1.00 0.00 C ATOM 341 OG1 THR A 23 7.093 -7.929 -4.597 1.00 0.00 O ATOM 342 CG2 THR A 23 7.833 -7.017 -6.713 1.00 0.00 C ATOM 0 H THR A 23 5.475 -6.128 -5.255 1.00 0.00 H new ATOM 0 HA THR A 23 5.438 -7.985 -7.508 1.00 0.00 H new ATOM 0 HB THR A 23 7.280 -9.048 -6.319 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.734 -8.594 -4.271 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.872 -7.162 -6.418 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.743 -7.131 -7.793 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.511 -6.016 -6.426 1.00 0.00 H new ATOM 350 N PHE A 24 3.673 -8.339 -4.935 1.00 0.00 N ATOM 351 CA PHE A 24 2.695 -9.117 -4.188 1.00 0.00 C ATOM 352 C PHE A 24 1.688 -8.174 -3.540 1.00 0.00 C ATOM 353 O PHE A 24 2.011 -7.031 -3.227 1.00 0.00 O ATOM 354 CB PHE A 24 3.362 -9.978 -3.108 1.00 0.00 C ATOM 355 CG PHE A 24 2.387 -10.513 -2.085 1.00 0.00 C ATOM 356 CD1 PHE A 24 2.088 -9.788 -0.937 1.00 0.00 C ATOM 357 CD2 PHE A 24 1.753 -11.730 -2.284 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.178 -10.267 -0.015 1.00 0.00 C ATOM 359 CE2 PHE A 24 0.845 -12.215 -1.358 1.00 0.00 C ATOM 360 CZ PHE A 24 0.558 -11.479 -0.223 1.00 0.00 C ATOM 0 H PHE A 24 3.584 -7.333 -4.792 1.00 0.00 H new ATOM 0 HA PHE A 24 2.191 -9.786 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.874 -10.814 -3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.123 -9.386 -2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.573 -8.839 -0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.970 -12.306 -3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.952 -9.691 0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.362 -13.167 -1.522 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.152 -11.854 0.500 1.00 0.00 H new ATOM 370 N VAL A 25 0.465 -8.651 -3.368 1.00 0.00 N ATOM 371 CA VAL A 25 -0.592 -7.871 -2.738 1.00 0.00 C ATOM 372 C VAL A 25 -1.526 -8.795 -1.982 1.00 0.00 C ATOM 373 O VAL A 25 -2.035 -9.773 -2.524 1.00 0.00 O ATOM 374 CB VAL A 25 -1.411 -7.034 -3.750 1.00 0.00 C ATOM 375 CG1 VAL A 25 -2.168 -5.929 -3.038 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.524 -6.448 -4.832 1.00 0.00 C ATOM 0 H VAL A 25 0.177 -9.585 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.106 -7.172 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.127 -7.703 -4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.738 -5.351 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.849 -6.366 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.461 -5.274 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.132 -5.866 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.226 -5.802 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.028 -7.254 -5.372 1.00 0.00 H new ATOM 386 N ASP A 26 -1.718 -8.489 -0.715 1.00 0.00 N ATOM 387 CA ASP A 26 -2.583 -9.275 0.142 1.00 0.00 C ATOM 388 C ASP A 26 -4.046 -9.084 -0.275 1.00 0.00 C ATOM 389 O ASP A 26 -4.485 -7.966 -0.529 1.00 0.00 O ATOM 390 CB ASP A 26 -2.328 -8.871 1.590 1.00 0.00 C ATOM 391 CG ASP A 26 -3.471 -9.219 2.522 1.00 0.00 C ATOM 392 OD1 ASP A 26 -4.007 -10.341 2.411 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.825 -8.372 3.366 1.00 0.00 O ATOM 0 H ASP A 26 -1.281 -7.692 -0.252 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.366 -10.339 0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.420 -9.361 1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.148 -7.797 1.633 1.00 0.00 H new ATOM 398 N HIS A 27 -4.783 -10.194 -0.352 1.00 0.00 N ATOM 399 CA HIS A 27 -6.184 -10.192 -0.793 1.00 0.00 C ATOM 400 C HIS A 27 -7.076 -9.209 -0.036 1.00 0.00 C ATOM 401 O HIS A 27 -8.203 -8.955 -0.458 1.00 0.00 O ATOM 402 CB HIS A 27 -6.767 -11.603 -0.709 1.00 0.00 C ATOM 403 CG HIS A 27 -7.005 -12.082 0.689 1.00 0.00 C ATOM 404 ND1 HIS A 27 -8.264 -12.331 1.195 1.00 0.00 N ATOM 405 CD2 HIS A 27 -6.137 -12.371 1.689 1.00 0.00 C ATOM 406 CE1 HIS A 27 -8.160 -12.750 2.444 1.00 0.00 C ATOM 407 NE2 HIS A 27 -6.881 -12.783 2.766 1.00 0.00 N ATOM 0 H HIS A 27 -4.428 -11.120 -0.111 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.170 -9.850 -1.828 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.709 -11.629 -1.256 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.089 -12.295 -1.209 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.061 -12.292 1.646 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.982 -13.019 3.091 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.505 -13.069 3.670 1.00 0.00 H new ATOM 416 N ARG A 28 -6.604 -8.667 1.074 1.00 0.00 N ATOM 417 CA ARG A 28 -7.401 -7.704 1.822 1.00 0.00 C ATOM 418 C ARG A 28 -7.524 -6.409 1.032 1.00 0.00 C ATOM 419 O ARG A 28 -8.465 -5.637 1.213 1.00 0.00 O ATOM 420 CB ARG A 28 -6.788 -7.436 3.195 1.00 0.00 C ATOM 421 CG ARG A 28 -7.246 -8.420 4.255 1.00 0.00 C ATOM 422 CD ARG A 28 -7.331 -7.763 5.619 1.00 0.00 C ATOM 423 NE ARG A 28 -6.047 -7.777 6.316 1.00 0.00 N ATOM 424 CZ ARG A 28 -5.917 -8.018 7.617 1.00 0.00 C ATOM 425 NH1 ARG A 28 -6.989 -8.259 8.361 1.00 0.00 N ATOM 426 NH2 ARG A 28 -4.714 -8.021 8.175 1.00 0.00 N ATOM 0 H ARG A 28 -5.688 -8.871 1.474 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.396 -8.123 1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.702 -7.477 3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.047 -6.425 3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.221 -8.823 3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.554 -9.261 4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.670 -6.733 5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.077 -8.279 6.224 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.203 -7.591 5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.916 -8.260 7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.886 -8.444 9.359 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.887 -7.838 7.606 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.615 -8.206 9.173 1.00 0.00 H new ATOM 440 N CYS A 29 -6.549 -6.188 0.159 1.00 0.00 N ATOM 441 CA CYS A 29 -6.483 -5.005 -0.676 1.00 0.00 C ATOM 442 C CYS A 29 -7.793 -4.709 -1.407 1.00 0.00 C ATOM 443 O CYS A 29 -8.055 -3.565 -1.753 1.00 0.00 O ATOM 444 CB CYS A 29 -5.364 -5.178 -1.693 1.00 0.00 C ATOM 445 SG CYS A 29 -5.655 -6.503 -2.880 1.00 0.00 S ATOM 0 H CYS A 29 -5.775 -6.836 0.013 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.291 -4.157 -0.019 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.230 -4.241 -2.234 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.432 -5.376 -1.163 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.575 -6.137 -3.722 1.00 0.00 H new ATOM 451 N VAL A 30 -8.609 -5.722 -1.671 1.00 0.00 N ATOM 452 CA VAL A 30 -9.868 -5.476 -2.370 1.00 0.00 C ATOM 453 C VAL A 30 -10.896 -4.864 -1.419 1.00 0.00 C ATOM 454 O VAL A 30 -11.759 -4.099 -1.833 1.00 0.00 O ATOM 455 CB VAL A 30 -10.433 -6.749 -3.043 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.425 -7.883 -2.999 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.743 -7.169 -2.409 1.00 0.00 C ATOM 0 H VAL A 30 -8.432 -6.695 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.656 -4.766 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.628 -6.510 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.849 -8.765 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.518 -7.584 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.184 -8.115 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.115 -8.066 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.585 -7.377 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.473 -6.367 -2.516 1.00 0.00 H new ATOM 467 N ALA A 31 -10.824 -5.226 -0.147 1.00 0.00 N ATOM 468 CA ALA A 31 -11.729 -4.657 0.840 1.00 0.00 C ATOM 469 C ALA A 31 -11.217 -3.291 1.256 1.00 0.00 C ATOM 470 O ALA A 31 -11.984 -2.395 1.606 1.00 0.00 O ATOM 471 CB ALA A 31 -11.842 -5.558 2.057 1.00 0.00 C ATOM 0 H ALA A 31 -10.157 -5.903 0.223 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.720 -4.563 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.524 -5.110 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.224 -6.533 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.859 -5.679 2.513 1.00 0.00 H new ATOM 477 N THR A 32 -9.900 -3.150 1.175 1.00 0.00 N ATOM 478 CA THR A 32 -9.208 -1.931 1.565 1.00 0.00 C ATOM 479 C THR A 32 -9.278 -0.841 0.503 1.00 0.00 C ATOM 480 O THR A 32 -9.778 0.254 0.756 1.00 0.00 O ATOM 481 CB THR A 32 -7.730 -2.247 1.817 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.605 -3.422 2.625 1.00 0.00 O ATOM 483 CG2 THR A 32 -7.037 -1.091 2.494 1.00 0.00 C ATOM 0 H THR A 32 -9.279 -3.884 0.834 1.00 0.00 H new ATOM 0 HA THR A 32 -9.705 -1.563 2.463 1.00 0.00 H new ATOM 0 HB THR A 32 -7.255 -2.420 0.851 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.838 -4.211 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.990 -1.342 2.661 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.102 -0.206 1.860 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.518 -0.888 3.451 1.00 0.00 H new ATOM 491 N VAL A 33 -8.774 -1.150 -0.684 1.00 0.00 N ATOM 492 CA VAL A 33 -8.751 -0.195 -1.776 1.00 0.00 C ATOM 493 C VAL A 33 -9.583 -0.668 -2.957 1.00 0.00 C ATOM 494 O VAL A 33 -9.520 -0.092 -4.038 1.00 0.00 O ATOM 495 CB VAL A 33 -7.307 0.071 -2.226 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.535 0.727 -1.097 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.634 -1.219 -2.640 1.00 0.00 C ATOM 0 H VAL A 33 -8.374 -2.060 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.190 0.732 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.322 0.740 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.510 0.915 -1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.011 1.671 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.528 0.067 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.612 -1.011 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.620 -1.909 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.185 -1.668 -3.467 1.00 0.00 H new ATOM 507 N GLY A 34 -10.337 -1.738 -2.751 1.00 0.00 N ATOM 508 CA GLY A 34 -11.199 -2.252 -3.813 1.00 0.00 C ATOM 509 C GLY A 34 -10.440 -3.020 -4.871 1.00 0.00 C ATOM 510 O GLY A 34 -10.974 -3.943 -5.486 1.00 0.00 O ATOM 0 H GLY A 34 -10.373 -2.261 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.958 -2.901 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.723 -1.420 -4.282 1.00 0.00 H new ATOM 514 N TYR A 35 -9.193 -2.637 -5.081 1.00 0.00 N ATOM 515 CA TYR A 35 -8.347 -3.272 -6.073 1.00 0.00 C ATOM 516 C TYR A 35 -7.905 -4.655 -5.630 1.00 0.00 C ATOM 517 O TYR A 35 -7.213 -4.797 -4.623 1.00 0.00 O ATOM 518 CB TYR A 35 -7.128 -2.404 -6.317 1.00 0.00 C ATOM 519 CG TYR A 35 -7.488 -1.068 -6.892 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.223 -0.978 -8.062 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.105 0.099 -6.263 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.563 0.237 -8.593 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.438 1.326 -6.787 1.00 0.00 C ATOM 524 CZ TYR A 35 -8.169 1.394 -7.957 1.00 0.00 C ATOM 525 OH TYR A 35 -8.504 2.619 -8.486 1.00 0.00 O ATOM 0 H TYR A 35 -8.740 -1.879 -4.570 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.924 -3.384 -6.991 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.593 -2.261 -5.378 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.448 -2.918 -6.996 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.533 -1.882 -8.564 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.536 0.048 -5.347 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.137 0.288 -9.506 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.130 2.232 -6.286 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.352 2.545 -8.972 1.00 0.00 H new ATOM 535 N GLN A 36 -8.311 -5.675 -6.378 1.00 0.00 N ATOM 536 CA GLN A 36 -7.917 -7.034 -6.064 1.00 0.00 C ATOM 537 C GLN A 36 -6.395 -7.113 -6.072 1.00 0.00 C ATOM 538 O GLN A 36 -5.746 -6.264 -6.682 1.00 0.00 O ATOM 539 CB GLN A 36 -8.509 -8.007 -7.084 1.00 0.00 C ATOM 540 CG GLN A 36 -10.007 -7.840 -7.285 1.00 0.00 C ATOM 541 CD GLN A 36 -10.555 -8.753 -8.366 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.854 -9.100 -9.316 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.817 -9.144 -8.226 1.00 0.00 N ATOM 0 H GLN A 36 -8.909 -5.583 -7.200 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.293 -7.310 -5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.005 -7.869 -8.040 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.306 -9.028 -6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.521 -8.045 -6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.222 -6.804 -7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.361 -8.832 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.241 -9.756 -8.923 1.00 0.00 H new ATOM 552 N PRO A 37 -5.787 -8.101 -5.395 1.00 0.00 N ATOM 553 CA PRO A 37 -4.339 -8.212 -5.365 1.00 0.00 C ATOM 554 C PRO A 37 -3.735 -8.090 -6.753 1.00 0.00 C ATOM 555 O PRO A 37 -2.683 -7.483 -6.923 1.00 0.00 O ATOM 556 CB PRO A 37 -4.070 -9.592 -4.787 1.00 0.00 C ATOM 557 CG PRO A 37 -5.341 -10.074 -4.182 1.00 0.00 C ATOM 558 CD PRO A 37 -6.451 -9.151 -4.613 1.00 0.00 C ATOM 0 HA PRO A 37 -3.890 -7.413 -4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.732 -10.275 -5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.280 -9.547 -4.037 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.550 -11.095 -4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.262 -10.091 -3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.194 -9.679 -5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.973 -8.732 -3.753 1.00 0.00 H new ATOM 566 N GLN A 38 -4.405 -8.673 -7.742 1.00 0.00 N ATOM 567 CA GLN A 38 -3.935 -8.609 -9.120 1.00 0.00 C ATOM 568 C GLN A 38 -4.093 -7.197 -9.674 1.00 0.00 C ATOM 569 O GLN A 38 -3.290 -6.745 -10.491 1.00 0.00 O ATOM 570 CB GLN A 38 -4.691 -9.605 -9.994 1.00 0.00 C ATOM 571 CG GLN A 38 -6.189 -9.518 -9.827 1.00 0.00 C ATOM 572 CD GLN A 38 -6.922 -10.674 -10.478 1.00 0.00 C ATOM 573 OE1 GLN A 38 -7.148 -11.711 -9.855 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.303 -10.499 -11.738 1.00 0.00 N ATOM 0 H GLN A 38 -5.273 -9.194 -7.615 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.877 -8.872 -9.131 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.437 -9.429 -11.039 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.362 -10.616 -9.752 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.430 -9.493 -8.764 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.544 -8.581 -10.256 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.095 -9.623 -12.217 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.804 -11.241 -12.227 1.00 0.00 H new ATOM 583 N GLU A 39 -5.137 -6.508 -9.219 1.00 0.00 N ATOM 584 CA GLU A 39 -5.403 -5.142 -9.645 1.00 0.00 C ATOM 585 C GLU A 39 -4.331 -4.197 -9.125 1.00 0.00 C ATOM 586 O GLU A 39 -4.284 -3.025 -9.496 1.00 0.00 O ATOM 587 CB GLU A 39 -6.764 -4.692 -9.154 1.00 0.00 C ATOM 588 CG GLU A 39 -7.670 -4.237 -10.281 1.00 0.00 C ATOM 589 CD GLU A 39 -6.916 -3.618 -11.446 1.00 0.00 C ATOM 590 OE1 GLU A 39 -6.573 -2.420 -11.362 1.00 0.00 O ATOM 591 OE2 GLU A 39 -6.670 -4.332 -12.441 1.00 0.00 O ATOM 0 H GLU A 39 -5.814 -6.878 -8.552 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.391 -5.119 -10.735 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.242 -5.512 -8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.638 -3.876 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.246 -5.089 -10.642 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.385 -3.511 -9.893 1.00 0.00 H new ATOM 598 N LEU A 40 -3.475 -4.722 -8.256 1.00 0.00 N ATOM 599 CA LEU A 40 -2.397 -3.947 -7.666 1.00 0.00 C ATOM 600 C LEU A 40 -1.049 -4.483 -8.126 1.00 0.00 C ATOM 601 O LEU A 40 -0.115 -3.729 -8.379 1.00 0.00 O ATOM 602 CB LEU A 40 -2.489 -4.021 -6.143 1.00 0.00 C ATOM 603 CG LEU A 40 -3.213 -2.879 -5.420 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.660 -1.777 -6.371 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.399 -3.442 -4.662 1.00 0.00 C ATOM 0 H LEU A 40 -3.510 -5.692 -7.944 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.490 -2.909 -7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.988 -4.954 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.475 -4.080 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.509 -2.421 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.167 -0.994 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.790 -1.356 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.344 -2.191 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.918 -2.634 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.082 -3.924 -5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.051 -4.174 -3.933 1.00 0.00 H new ATOM 617 N LEU A 41 -0.975 -5.800 -8.241 1.00 0.00 N ATOM 618 CA LEU A 41 0.241 -6.482 -8.657 1.00 0.00 C ATOM 619 C LEU A 41 0.774 -5.923 -9.969 1.00 0.00 C ATOM 620 O LEU A 41 0.043 -5.796 -10.952 1.00 0.00 O ATOM 621 CB LEU A 41 -0.036 -7.982 -8.787 1.00 0.00 C ATOM 622 CG LEU A 41 0.101 -8.775 -7.486 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.897 -9.924 -7.438 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.524 -9.292 -7.328 1.00 0.00 C ATOM 0 H LEU A 41 -1.757 -6.426 -8.048 1.00 0.00 H new ATOM 0 HA LEU A 41 1.006 -6.317 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.046 -8.118 -9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.648 -8.401 -9.525 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.120 -8.106 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.778 -10.471 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.911 -9.528 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.718 -10.597 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.606 -9.854 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.770 -9.942 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.216 -8.451 -7.305 1.00 0.00 H new ATOM 636 N GLY A 42 2.059 -5.591 -9.966 1.00 0.00 N ATOM 637 CA GLY A 42 2.694 -5.043 -11.145 1.00 0.00 C ATOM 638 C GLY A 42 2.494 -3.548 -11.260 1.00 0.00 C ATOM 639 O GLY A 42 3.051 -2.904 -12.149 1.00 0.00 O ATOM 0 H GLY A 42 2.676 -5.693 -9.160 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.761 -5.264 -11.117 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.291 -5.531 -12.032 1.00 0.00 H new ATOM 643 N LYS A 43 1.692 -2.997 -10.357 1.00 0.00 N ATOM 644 CA LYS A 43 1.411 -1.572 -10.352 1.00 0.00 C ATOM 645 C LYS A 43 2.215 -0.859 -9.286 1.00 0.00 C ATOM 646 O LYS A 43 2.390 -1.365 -8.178 1.00 0.00 O ATOM 647 CB LYS A 43 -0.068 -1.313 -10.091 1.00 0.00 C ATOM 648 CG LYS A 43 -0.985 -2.127 -10.968 1.00 0.00 C ATOM 649 CD LYS A 43 -2.264 -1.377 -11.289 1.00 0.00 C ATOM 650 CE LYS A 43 -2.825 -1.779 -12.643 1.00 0.00 C ATOM 651 NZ LYS A 43 -4.069 -1.029 -12.975 1.00 0.00 N ATOM 0 H LYS A 43 1.224 -3.520 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 43 1.688 -1.189 -11.334 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.288 -1.532 -9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.276 -0.254 -10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.471 -2.383 -11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.228 -3.065 -10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.006 -1.574 -10.515 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.070 -0.305 -11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.076 -1.599 -13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.035 -2.849 -12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.241 -1.079 -13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.874 -1.449 -12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.961 -0.035 -12.690 1.00 0.00 H new ATOM 665 N ASN A 44 2.696 0.319 -9.628 1.00 0.00 N ATOM 666 CA ASN A 44 3.454 1.122 -8.688 1.00 0.00 C ATOM 667 C ASN A 44 2.515 1.613 -7.596 1.00 0.00 C ATOM 668 O ASN A 44 1.547 2.318 -7.864 1.00 0.00 O ATOM 669 CB ASN A 44 4.109 2.306 -9.401 1.00 0.00 C ATOM 670 CG ASN A 44 5.251 2.901 -8.612 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.039 3.643 -7.659 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.470 2.592 -9.025 1.00 0.00 N ATOM 0 H ASN A 44 2.576 0.742 -10.548 1.00 0.00 H new ATOM 0 HA ASN A 44 4.246 0.517 -8.246 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.476 1.981 -10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.359 3.075 -9.583 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.284 2.976 -8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.596 1.970 -9.823 1.00 0.00 H new ATOM 679 N ILE A 45 2.795 1.205 -6.369 1.00 0.00 N ATOM 680 CA ILE A 45 1.986 1.580 -5.226 1.00 0.00 C ATOM 681 C ILE A 45 1.719 3.084 -5.189 1.00 0.00 C ATOM 682 O ILE A 45 0.602 3.515 -4.902 1.00 0.00 O ATOM 683 CB ILE A 45 2.683 1.148 -3.930 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.821 1.461 -2.715 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.025 1.827 -3.822 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.434 1.015 -1.404 1.00 0.00 C ATOM 0 H ILE A 45 3.588 0.606 -6.140 1.00 0.00 H new ATOM 0 HA ILE A 45 1.026 1.071 -5.319 1.00 0.00 H new ATOM 0 HB ILE A 45 2.833 0.069 -3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.641 2.535 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.851 0.979 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.516 1.517 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.644 1.547 -4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.886 2.908 -3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.764 1.271 -0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.589 -0.064 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.391 1.516 -1.261 1.00 0.00 H new ATOM 698 N VAL A 46 2.742 3.880 -5.491 1.00 0.00 N ATOM 699 CA VAL A 46 2.596 5.329 -5.472 1.00 0.00 C ATOM 700 C VAL A 46 1.720 5.815 -6.624 1.00 0.00 C ATOM 701 O VAL A 46 1.107 6.877 -6.529 1.00 0.00 O ATOM 702 CB VAL A 46 3.949 6.082 -5.447 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.091 5.141 -5.111 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.205 6.827 -6.749 1.00 0.00 C ATOM 0 H VAL A 46 3.671 3.548 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 46 2.096 5.567 -4.533 1.00 0.00 H new ATOM 0 HB VAL A 46 3.892 6.831 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.029 5.696 -5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.921 4.698 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.145 4.352 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.164 7.342 -6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.224 6.118 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.411 7.556 -6.913 1.00 0.00 H new ATOM 714 N GLU A 47 1.691 5.068 -7.730 1.00 0.00 N ATOM 715 CA GLU A 47 0.850 5.446 -8.864 1.00 0.00 C ATOM 716 C GLU A 47 -0.579 5.683 -8.389 1.00 0.00 C ATOM 717 O GLU A 47 -1.320 6.471 -8.979 1.00 0.00 O ATOM 718 CB GLU A 47 0.871 4.375 -9.955 1.00 0.00 C ATOM 719 CG GLU A 47 1.935 4.604 -11.015 1.00 0.00 C ATOM 720 CD GLU A 47 1.860 3.593 -12.143 1.00 0.00 C ATOM 721 OE1 GLU A 47 2.456 2.504 -12.006 1.00 0.00 O ATOM 722 OE2 GLU A 47 1.207 3.892 -13.164 1.00 0.00 O ATOM 0 H GLU A 47 2.231 4.213 -7.863 1.00 0.00 H new ATOM 0 HA GLU A 47 1.249 6.366 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.035 3.401 -9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.107 4.339 -10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.825 5.608 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.921 4.554 -10.552 1.00 0.00 H new ATOM 729 N PHE A 48 -0.957 4.991 -7.318 1.00 0.00 N ATOM 730 CA PHE A 48 -2.280 5.149 -6.729 1.00 0.00 C ATOM 731 C PHE A 48 -2.218 6.260 -5.704 1.00 0.00 C ATOM 732 O PHE A 48 -3.166 7.023 -5.525 1.00 0.00 O ATOM 733 CB PHE A 48 -2.737 3.860 -6.051 1.00 0.00 C ATOM 734 CG PHE A 48 -2.872 2.703 -6.987 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.767 1.943 -7.326 1.00 0.00 C ATOM 736 CD2 PHE A 48 -4.105 2.374 -7.522 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.897 0.866 -8.189 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.237 1.305 -8.381 1.00 0.00 C ATOM 739 CZ PHE A 48 -3.131 0.553 -8.713 1.00 0.00 C ATOM 0 H PHE A 48 -0.363 4.314 -6.840 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.994 5.389 -7.517 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.025 3.600 -5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.697 4.036 -5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.799 2.190 -6.916 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.973 2.962 -7.263 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.032 0.274 -8.450 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.204 1.057 -8.793 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.233 -0.285 -9.387 1.00 0.00 H new ATOM 749 N CYS A 49 -1.077 6.327 -5.033 1.00 0.00 N ATOM 750 CA CYS A 49 -0.828 7.342 -4.017 1.00 0.00 C ATOM 751 C CYS A 49 -0.985 8.742 -4.599 1.00 0.00 C ATOM 752 O CYS A 49 -0.677 8.971 -5.768 1.00 0.00 O ATOM 753 CB CYS A 49 0.588 7.191 -3.459 1.00 0.00 C ATOM 754 SG CYS A 49 1.111 8.547 -2.385 1.00 0.00 S ATOM 0 H CYS A 49 -0.300 5.682 -5.176 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.557 7.204 -3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.649 6.257 -2.901 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.288 7.111 -4.291 1.00 0.00 H new ATOM 0 HG CYS A 49 0.949 9.678 -3.004 1.00 0.00 H new ATOM 760 N HIS A 50 -1.471 9.672 -3.784 1.00 0.00 N ATOM 761 CA HIS A 50 -1.633 11.049 -4.227 1.00 0.00 C ATOM 762 C HIS A 50 -0.271 11.604 -4.636 1.00 0.00 C ATOM 763 O HIS A 50 0.708 11.404 -3.922 1.00 0.00 O ATOM 764 CB HIS A 50 -2.250 11.900 -3.112 1.00 0.00 C ATOM 765 CG HIS A 50 -2.664 13.272 -3.551 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.774 14.215 -4.018 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.887 13.859 -3.591 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.427 15.321 -4.325 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.710 15.131 -4.076 1.00 0.00 N ATOM 0 H HIS A 50 -1.757 9.498 -2.821 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.307 11.079 -5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.120 11.380 -2.711 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.530 11.992 -2.298 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.824 13.410 -3.296 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.987 16.227 -4.714 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.450 15.818 -4.221 1.00 0.00 H new ATOM 778 N PRO A 51 -0.179 12.295 -5.786 1.00 0.00 N ATOM 779 CA PRO A 51 1.088 12.839 -6.287 1.00 0.00 C ATOM 780 C PRO A 51 1.924 13.547 -5.222 1.00 0.00 C ATOM 781 O PRO A 51 3.073 13.173 -4.978 1.00 0.00 O ATOM 782 CB PRO A 51 0.631 13.819 -7.361 1.00 0.00 C ATOM 783 CG PRO A 51 -0.619 13.214 -7.885 1.00 0.00 C ATOM 784 CD PRO A 51 -1.300 12.621 -6.688 1.00 0.00 C ATOM 0 HA PRO A 51 1.749 12.050 -6.645 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.452 14.811 -6.947 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.380 13.931 -8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.248 13.964 -8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.404 12.452 -8.634 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.993 13.326 -6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.876 11.734 -6.951 1.00 0.00 H new ATOM 792 N GLU A 52 1.347 14.563 -4.592 1.00 0.00 N ATOM 793 CA GLU A 52 2.045 15.330 -3.564 1.00 0.00 C ATOM 794 C GLU A 52 2.517 14.446 -2.413 1.00 0.00 C ATOM 795 O GLU A 52 3.360 14.853 -1.613 1.00 0.00 O ATOM 796 CB GLU A 52 1.125 16.422 -3.023 1.00 0.00 C ATOM 797 CG GLU A 52 0.656 17.405 -4.082 1.00 0.00 C ATOM 798 CD GLU A 52 -0.258 18.476 -3.519 1.00 0.00 C ATOM 799 OE1 GLU A 52 0.259 19.521 -3.070 1.00 0.00 O ATOM 800 OE2 GLU A 52 -1.490 18.270 -3.528 1.00 0.00 O ATOM 0 H GLU A 52 0.394 14.877 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 52 2.926 15.775 -4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.254 15.956 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.647 16.969 -2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.523 17.878 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.132 16.863 -4.869 1.00 0.00 H new ATOM 807 N ASP A 53 1.971 13.238 -2.331 1.00 0.00 N ATOM 808 CA ASP A 53 2.326 12.309 -1.266 1.00 0.00 C ATOM 809 C ASP A 53 3.222 11.168 -1.754 1.00 0.00 C ATOM 810 O ASP A 53 3.829 10.472 -0.941 1.00 0.00 O ATOM 811 CB ASP A 53 1.060 11.731 -0.636 1.00 0.00 C ATOM 812 CG ASP A 53 0.216 12.790 0.046 1.00 0.00 C ATOM 813 OD1 ASP A 53 0.631 13.281 1.116 1.00 0.00 O ATOM 814 OD2 ASP A 53 -0.860 13.128 -0.490 1.00 0.00 O ATOM 0 H ASP A 53 1.280 12.879 -2.990 1.00 0.00 H new ATOM 0 HA ASP A 53 2.892 12.874 -0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.467 11.239 -1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.336 10.967 0.091 1.00 0.00 H new ATOM 819 N GLN A 54 3.310 10.967 -3.071 1.00 0.00 N ATOM 820 CA GLN A 54 4.135 9.897 -3.606 1.00 0.00 C ATOM 821 C GLN A 54 5.591 10.083 -3.210 1.00 0.00 C ATOM 822 O GLN A 54 6.307 9.113 -2.980 1.00 0.00 O ATOM 823 CB GLN A 54 4.024 9.823 -5.123 1.00 0.00 C ATOM 824 CG GLN A 54 2.604 9.875 -5.641 1.00 0.00 C ATOM 825 CD GLN A 54 2.538 9.832 -7.154 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.449 10.295 -7.841 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.458 9.275 -7.682 1.00 0.00 N ATOM 0 H GLN A 54 2.825 11.526 -3.773 1.00 0.00 H new ATOM 0 HA GLN A 54 3.769 8.962 -3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.589 10.647 -5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.491 8.900 -5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.040 9.037 -5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.124 10.786 -5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.727 8.904 -7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.358 9.217 -8.695 1.00 0.00 H new ATOM 836 N GLN A 55 6.028 11.334 -3.141 1.00 0.00 N ATOM 837 CA GLN A 55 7.403 11.635 -2.766 1.00 0.00 C ATOM 838 C GLN A 55 7.695 11.124 -1.362 1.00 0.00 C ATOM 839 O GLN A 55 8.823 10.749 -1.044 1.00 0.00 O ATOM 840 CB GLN A 55 7.663 13.139 -2.840 1.00 0.00 C ATOM 841 CG GLN A 55 9.107 13.520 -2.557 1.00 0.00 C ATOM 842 CD GLN A 55 10.076 12.916 -3.552 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.357 13.503 -4.598 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.597 11.738 -3.229 1.00 0.00 N ATOM 0 H GLN A 55 5.453 12.153 -3.339 1.00 0.00 H new ATOM 0 HA GLN A 55 8.067 11.131 -3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.388 13.499 -3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.015 13.647 -2.126 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.203 14.606 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.374 13.194 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.336 11.288 -2.352 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.259 11.283 -3.858 1.00 0.00 H new ATOM 853 N LEU A 56 6.662 11.113 -0.531 1.00 0.00 N ATOM 854 CA LEU A 56 6.772 10.651 0.836 1.00 0.00 C ATOM 855 C LEU A 56 6.735 9.135 0.874 1.00 0.00 C ATOM 856 O LEU A 56 7.440 8.499 1.657 1.00 0.00 O ATOM 857 CB LEU A 56 5.628 11.241 1.662 1.00 0.00 C ATOM 858 CG LEU A 56 5.302 10.510 2.962 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.756 11.318 4.166 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.811 10.222 3.030 1.00 0.00 C ATOM 0 H LEU A 56 5.726 11.425 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 56 7.721 10.980 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.873 12.276 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.731 11.261 1.043 1.00 0.00 H new ATOM 0 HG LEU A 56 5.842 9.563 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.513 10.777 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.833 11.476 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.248 12.282 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.583 9.700 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.257 11.160 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.522 9.599 2.184 1.00 0.00 H new ATOM 872 N LEU A 57 5.902 8.566 0.015 1.00 0.00 N ATOM 873 CA LEU A 57 5.768 7.124 -0.074 1.00 0.00 C ATOM 874 C LEU A 57 7.080 6.514 -0.536 1.00 0.00 C ATOM 875 O LEU A 57 7.660 5.660 0.136 1.00 0.00 O ATOM 876 CB LEU A 57 4.647 6.766 -1.048 1.00 0.00 C ATOM 877 CG LEU A 57 4.243 5.295 -1.057 1.00 0.00 C ATOM 878 CD1 LEU A 57 3.932 4.831 0.353 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.051 5.075 -1.975 1.00 0.00 C ATOM 0 H LEU A 57 5.308 9.085 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 57 5.520 6.724 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.770 7.366 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.957 7.048 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 57 5.076 4.704 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.645 3.780 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.815 4.955 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.112 5.424 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.777 4.020 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.208 5.671 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.313 5.376 -2.989 1.00 0.00 H new ATOM 891 N ARG A 58 7.532 6.966 -1.696 1.00 0.00 N ATOM 892 CA ARG A 58 8.789 6.509 -2.263 1.00 0.00 C ATOM 893 C ARG A 58 9.918 6.735 -1.269 1.00 0.00 C ATOM 894 O ARG A 58 10.819 5.908 -1.140 1.00 0.00 O ATOM 895 CB ARG A 58 9.083 7.253 -3.566 1.00 0.00 C ATOM 896 CG ARG A 58 8.009 7.067 -4.624 1.00 0.00 C ATOM 897 CD ARG A 58 8.209 8.018 -5.792 1.00 0.00 C ATOM 898 NE ARG A 58 9.551 7.913 -6.361 1.00 0.00 N ATOM 899 CZ ARG A 58 9.976 8.642 -7.388 1.00 0.00 C ATOM 900 NH1 ARG A 58 9.167 9.521 -7.964 1.00 0.00 N ATOM 901 NH2 ARG A 58 11.214 8.492 -7.841 1.00 0.00 N ATOM 0 H ARG A 58 7.041 7.655 -2.266 1.00 0.00 H new ATOM 0 HA ARG A 58 8.711 5.443 -2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.191 8.316 -3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.038 6.909 -3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.025 6.038 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.027 7.234 -4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.470 7.804 -6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.035 9.042 -5.460 1.00 0.00 H new ATOM 0 HE ARG A 58 10.198 7.242 -5.947 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.214 9.640 -7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.497 10.078 -8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.840 7.817 -7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.540 9.051 -8.629 1.00 0.00 H new ATOM 915 N ASP A 59 9.856 7.865 -0.564 1.00 0.00 N ATOM 916 CA ASP A 59 10.867 8.198 0.433 1.00 0.00 C ATOM 917 C ASP A 59 10.989 7.076 1.434 1.00 0.00 C ATOM 918 O ASP A 59 12.092 6.628 1.751 1.00 0.00 O ATOM 919 CB ASP A 59 10.513 9.501 1.144 1.00 0.00 C ATOM 920 CG ASP A 59 11.544 9.891 2.187 1.00 0.00 C ATOM 921 OD1 ASP A 59 11.399 9.466 3.351 1.00 0.00 O ATOM 922 OD2 ASP A 59 12.494 10.622 1.837 1.00 0.00 O ATOM 0 H ASP A 59 9.118 8.561 -0.666 1.00 0.00 H new ATOM 0 HA ASP A 59 11.824 8.332 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.424 10.300 0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.539 9.398 1.621 1.00 0.00 H new ATOM 927 N SER A 60 9.851 6.630 1.933 1.00 0.00 N ATOM 928 CA SER A 60 9.833 5.533 2.880 1.00 0.00 C ATOM 929 C SER A 60 10.617 4.356 2.318 1.00 0.00 C ATOM 930 O SER A 60 11.586 3.909 2.919 1.00 0.00 O ATOM 931 CB SER A 60 8.396 5.120 3.197 1.00 0.00 C ATOM 932 OG SER A 60 8.300 3.724 3.412 1.00 0.00 O ATOM 0 H SER A 60 8.933 7.008 1.700 1.00 0.00 H new ATOM 0 HA SER A 60 10.303 5.859 3.808 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.049 5.652 4.083 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.742 5.410 2.375 1.00 0.00 H new ATOM 0 HG SER A 60 7.396 3.420 3.187 1.00 0.00 H new ATOM 938 N PHE A 61 10.213 3.884 1.142 1.00 0.00 N ATOM 939 CA PHE A 61 10.880 2.760 0.500 1.00 0.00 C ATOM 940 C PHE A 61 12.373 3.009 0.377 1.00 0.00 C ATOM 941 O PHE A 61 13.174 2.083 0.499 1.00 0.00 O ATOM 942 CB PHE A 61 10.287 2.506 -0.885 1.00 0.00 C ATOM 943 CG PHE A 61 8.786 2.408 -0.879 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.123 1.795 0.173 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.041 2.932 -1.920 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.746 1.707 0.186 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.662 2.848 -1.912 1.00 0.00 C ATOM 948 CZ PHE A 61 6.014 2.234 -0.858 1.00 0.00 C ATOM 0 H PHE A 61 9.426 4.264 0.616 1.00 0.00 H new ATOM 0 HA PHE A 61 10.723 1.881 1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.589 3.310 -1.555 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.703 1.582 -1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.691 1.381 0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.542 3.412 -2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.242 1.227 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.091 3.262 -2.730 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.936 2.167 -0.851 1.00 0.00 H new ATOM 958 N GLN A 62 12.747 4.262 0.143 1.00 0.00 N ATOM 959 CA GLN A 62 14.150 4.608 0.002 1.00 0.00 C ATOM 960 C GLN A 62 14.861 4.457 1.333 1.00 0.00 C ATOM 961 O GLN A 62 16.040 4.125 1.384 1.00 0.00 O ATOM 962 CB GLN A 62 14.304 6.039 -0.515 1.00 0.00 C ATOM 963 CG GLN A 62 13.634 6.277 -1.859 1.00 0.00 C ATOM 964 CD GLN A 62 14.624 6.572 -2.972 1.00 0.00 C ATOM 965 OE1 GLN A 62 14.394 6.224 -4.130 1.00 0.00 O ATOM 966 NE2 GLN A 62 15.731 7.222 -2.626 1.00 0.00 N ATOM 0 H GLN A 62 12.102 5.046 0.048 1.00 0.00 H new ATOM 0 HA GLN A 62 14.601 3.929 -0.721 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.884 6.728 0.218 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.365 6.273 -0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.046 5.399 -2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.938 7.111 -1.769 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.881 7.492 -1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.430 7.451 -3.333 1.00 0.00 H new ATOM 975 N GLN A 63 14.125 4.694 2.410 1.00 0.00 N ATOM 976 CA GLN A 63 14.676 4.601 3.747 1.00 0.00 C ATOM 977 C GLN A 63 14.734 3.156 4.248 1.00 0.00 C ATOM 978 O GLN A 63 15.712 2.754 4.877 1.00 0.00 O ATOM 979 CB GLN A 63 13.838 5.456 4.683 1.00 0.00 C ATOM 980 CG GLN A 63 13.891 6.939 4.348 1.00 0.00 C ATOM 981 CD GLN A 63 15.294 7.507 4.445 1.00 0.00 C ATOM 982 OE1 GLN A 63 16.045 7.507 3.470 1.00 0.00 O ATOM 983 NE2 GLN A 63 15.654 7.997 5.625 1.00 0.00 N ATOM 0 H GLN A 63 13.139 4.953 2.379 1.00 0.00 H new ATOM 0 HA GLN A 63 15.703 4.966 3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.802 5.118 4.644 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.183 5.309 5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.509 7.094 3.339 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.234 7.485 5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.999 7.977 6.407 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.585 8.394 5.750 1.00 0.00 H new ATOM 992 N VAL A 64 13.687 2.377 3.975 1.00 0.00 N ATOM 993 CA VAL A 64 13.646 0.978 4.413 1.00 0.00 C ATOM 994 C VAL A 64 14.740 0.180 3.736 1.00 0.00 C ATOM 995 O VAL A 64 15.327 -0.725 4.324 1.00 0.00 O ATOM 996 CB VAL A 64 12.277 0.280 4.132 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.184 1.286 3.833 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.381 -0.731 2.991 1.00 0.00 C ATOM 0 H VAL A 64 12.863 2.685 3.458 1.00 0.00 H new ATOM 0 HA VAL A 64 13.793 1.001 5.493 1.00 0.00 H new ATOM 0 HB VAL A 64 12.011 -0.256 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.248 0.761 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.059 1.952 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.457 1.870 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.409 -1.195 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.699 -0.222 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.110 -1.499 3.250 1.00 0.00 H new ATOM 1008 N VAL A 65 14.995 0.526 2.491 1.00 0.00 N ATOM 1009 CA VAL A 65 15.991 -0.150 1.697 1.00 0.00 C ATOM 1010 C VAL A 65 17.390 0.364 2.024 1.00 0.00 C ATOM 1011 O VAL A 65 18.371 -0.371 1.929 1.00 0.00 O ATOM 1012 CB VAL A 65 15.675 0.034 0.207 1.00 0.00 C ATOM 1013 CG1 VAL A 65 15.996 1.450 -0.244 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.401 -0.998 -0.627 1.00 0.00 C ATOM 0 H VAL A 65 14.516 1.284 2.004 1.00 0.00 H new ATOM 0 HA VAL A 65 15.968 -1.214 1.934 1.00 0.00 H new ATOM 0 HB VAL A 65 14.606 -0.120 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.764 1.556 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.400 2.159 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.055 1.652 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.162 -0.848 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.476 -0.893 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.089 -1.997 -0.323 1.00 0.00 H new ATOM 1024 N LYS A 66 17.469 1.634 2.409 1.00 0.00 N ATOM 1025 CA LYS A 66 18.742 2.240 2.784 1.00 0.00 C ATOM 1026 C LYS A 66 19.237 1.630 4.081 1.00 0.00 C ATOM 1027 O LYS A 66 20.418 1.317 4.235 1.00 0.00 O ATOM 1028 CB LYS A 66 18.576 3.745 2.972 1.00 0.00 C ATOM 1029 CG LYS A 66 18.840 4.548 1.711 1.00 0.00 C ATOM 1030 CD LYS A 66 18.584 6.033 1.924 1.00 0.00 C ATOM 1031 CE LYS A 66 19.525 6.624 2.962 1.00 0.00 C ATOM 1032 NZ LYS A 66 19.282 8.078 3.170 1.00 0.00 N ATOM 0 H LYS A 66 16.668 2.263 2.469 1.00 0.00 H new ATOM 0 HA LYS A 66 19.464 2.054 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.563 3.950 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.254 4.082 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.872 4.399 1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.203 4.181 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.706 6.562 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.552 6.182 2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.400 6.096 3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.557 6.470 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.821 8.405 3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.588 8.605 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.268 8.241 3.331 1.00 0.00 H new ATOM 1046 N LEU A 67 18.308 1.473 5.011 1.00 0.00 N ATOM 1047 CA LEU A 67 18.602 0.909 6.314 1.00 0.00 C ATOM 1048 C LEU A 67 18.335 -0.588 6.291 1.00 0.00 C ATOM 1049 O LEU A 67 18.498 -1.286 7.292 1.00 0.00 O ATOM 1050 CB LEU A 67 17.735 1.610 7.353 1.00 0.00 C ATOM 1051 CG LEU A 67 17.723 3.136 7.227 1.00 0.00 C ATOM 1052 CD1 LEU A 67 16.764 3.751 8.233 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.127 3.692 7.412 1.00 0.00 C ATOM 0 H LEU A 67 17.330 1.734 4.881 1.00 0.00 H new ATOM 0 HA LEU A 67 19.651 1.059 6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.713 1.241 7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.089 1.341 8.348 1.00 0.00 H new ATOM 0 HG LEU A 67 17.377 3.398 6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.771 4.836 8.126 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.757 3.375 8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.075 3.484 9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.103 4.778 7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.499 3.420 8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.786 3.277 6.649 1.00 0.00 H new ATOM 1065 N LYS A 68 17.933 -1.049 5.111 1.00 0.00 N ATOM 1066 CA LYS A 68 17.620 -2.451 4.849 1.00 0.00 C ATOM 1067 C LYS A 68 17.069 -3.165 6.075 1.00 0.00 C ATOM 1068 O LYS A 68 17.804 -3.789 6.841 1.00 0.00 O ATOM 1069 CB LYS A 68 18.834 -3.191 4.310 1.00 0.00 C ATOM 1070 CG LYS A 68 18.480 -4.191 3.219 1.00 0.00 C ATOM 1071 CD LYS A 68 18.506 -3.550 1.841 1.00 0.00 C ATOM 1072 CE LYS A 68 17.462 -4.169 0.925 1.00 0.00 C ATOM 1073 NZ LYS A 68 17.741 -3.883 -0.510 1.00 0.00 N ATOM 0 H LYS A 68 17.813 -0.449 4.295 1.00 0.00 H new ATOM 0 HA LYS A 68 16.837 -2.456 4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.549 -2.468 3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.328 -3.714 5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.183 -5.024 3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.489 -4.603 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.324 -2.479 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.496 -3.669 1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.436 -5.247 1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.476 -3.785 1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.844 -3.829 -1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.245 -2.977 -0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.329 -4.643 -0.908 1.00 0.00 H new ATOM 1087 N GLY A 69 15.762 -3.059 6.235 1.00 0.00 N ATOM 1088 CA GLY A 69 15.077 -3.692 7.345 1.00 0.00 C ATOM 1089 C GLY A 69 14.294 -2.698 8.170 1.00 0.00 C ATOM 1090 O GLY A 69 13.157 -2.964 8.561 1.00 0.00 O ATOM 0 H GLY A 69 15.152 -2.537 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.402 -4.458 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.805 -4.196 7.980 1.00 0.00 H new ATOM 1094 N GLN A 70 14.905 -1.550 8.439 1.00 0.00 N ATOM 1095 CA GLN A 70 14.252 -0.501 9.207 1.00 0.00 C ATOM 1096 C GLN A 70 12.912 -0.161 8.567 1.00 0.00 C ATOM 1097 O GLN A 70 12.854 0.230 7.401 1.00 0.00 O ATOM 1098 CB GLN A 70 15.143 0.735 9.259 1.00 0.00 C ATOM 1099 CG GLN A 70 14.729 1.756 10.302 1.00 0.00 C ATOM 1100 CD GLN A 70 14.752 1.196 11.711 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.770 1.263 12.402 1.00 0.00 O ATOM 1102 NE2 GLN A 70 13.628 0.640 12.146 1.00 0.00 N ATOM 0 H GLN A 70 15.852 -1.324 8.136 1.00 0.00 H new ATOM 0 HA GLN A 70 14.081 -0.850 10.225 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.168 0.422 9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.141 1.212 8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.396 2.617 10.247 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.725 2.115 10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.808 0.606 11.540 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.584 0.247 13.086 1.00 0.00 H new ATOM 1111 N VAL A 71 11.839 -0.310 9.331 1.00 0.00 N ATOM 1112 CA VAL A 71 10.504 -0.049 8.815 1.00 0.00 C ATOM 1113 C VAL A 71 10.162 1.437 8.807 1.00 0.00 C ATOM 1114 O VAL A 71 10.499 2.183 9.727 1.00 0.00 O ATOM 1115 CB VAL A 71 9.433 -0.832 9.597 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.219 -0.237 10.980 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.132 -0.882 8.808 1.00 0.00 C ATOM 0 H VAL A 71 11.867 -0.609 10.306 1.00 0.00 H new ATOM 0 HA VAL A 71 10.507 -0.395 7.781 1.00 0.00 H new ATOM 0 HB VAL A 71 9.786 -1.854 9.734 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.458 -0.810 11.509 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.154 -0.272 11.540 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.892 0.798 10.884 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.385 -1.439 9.373 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.773 0.132 8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.305 -1.376 7.852 1.00 0.00 H new ATOM 1127 N LEU A 72 9.488 1.841 7.739 1.00 0.00 N ATOM 1128 CA LEU A 72 9.071 3.213 7.527 1.00 0.00 C ATOM 1129 C LEU A 72 7.563 3.349 7.673 1.00 0.00 C ATOM 1130 O LEU A 72 6.812 2.429 7.344 1.00 0.00 O ATOM 1131 CB LEU A 72 9.474 3.645 6.118 1.00 0.00 C ATOM 1132 CG LEU A 72 10.901 4.167 5.955 1.00 0.00 C ATOM 1133 CD1 LEU A 72 10.978 5.619 6.373 1.00 0.00 C ATOM 1134 CD2 LEU A 72 11.890 3.321 6.746 1.00 0.00 C ATOM 0 H LEU A 72 9.213 1.211 6.985 1.00 0.00 H new ATOM 0 HA LEU A 72 9.554 3.844 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.341 2.796 5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.785 4.422 5.788 1.00 0.00 H new ATOM 0 HG LEU A 72 11.173 4.094 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.000 5.979 6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.308 6.213 5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.681 5.713 7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.897 3.716 6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.628 3.349 7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.854 2.291 6.390 1.00 0.00 H new ATOM 1146 N SER A 73 7.127 4.500 8.162 1.00 0.00 N ATOM 1147 CA SER A 73 5.708 4.766 8.328 1.00 0.00 C ATOM 1148 C SER A 73 5.346 6.083 7.673 1.00 0.00 C ATOM 1149 O SER A 73 5.808 7.145 8.089 1.00 0.00 O ATOM 1150 CB SER A 73 5.326 4.800 9.803 1.00 0.00 C ATOM 1151 OG SER A 73 3.938 4.567 9.978 1.00 0.00 O ATOM 0 H SER A 73 7.737 5.265 8.451 1.00 0.00 H new ATOM 0 HA SER A 73 5.154 3.959 7.848 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.896 4.046 10.346 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.592 5.768 10.228 1.00 0.00 H new ATOM 0 HG SER A 73 3.720 4.592 10.933 1.00 0.00 H new ATOM 1157 N VAL A 74 4.519 6.005 6.647 1.00 0.00 N ATOM 1158 CA VAL A 74 4.104 7.206 5.922 1.00 0.00 C ATOM 1159 C VAL A 74 2.624 7.168 5.583 1.00 0.00 C ATOM 1160 O VAL A 74 2.101 6.140 5.154 1.00 0.00 O ATOM 1161 CB VAL A 74 4.906 7.393 4.614 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.393 7.522 4.901 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.640 6.250 3.655 1.00 0.00 C ATOM 0 H VAL A 74 4.121 5.135 6.294 1.00 0.00 H new ATOM 0 HA VAL A 74 4.303 8.046 6.587 1.00 0.00 H new ATOM 0 HB VAL A 74 4.574 8.318 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.934 7.653 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.566 8.385 5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.746 6.621 5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.214 6.401 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.937 5.309 4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.577 6.216 3.415 1.00 0.00 H new ATOM 1173 N MET A 75 1.943 8.291 5.778 1.00 0.00 N ATOM 1174 CA MET A 75 0.528 8.363 5.460 1.00 0.00 C ATOM 1175 C MET A 75 0.326 9.004 4.108 1.00 0.00 C ATOM 1176 O MET A 75 0.842 10.090 3.837 1.00 0.00 O ATOM 1177 CB MET A 75 -0.261 9.144 6.502 1.00 0.00 C ATOM 1178 CG MET A 75 -0.390 8.429 7.828 1.00 0.00 C ATOM 1179 SD MET A 75 -1.733 9.082 8.834 1.00 0.00 S ATOM 1180 CE MET A 75 -3.133 8.644 7.808 1.00 0.00 C ATOM 0 H MET A 75 2.344 9.152 6.150 1.00 0.00 H new ATOM 0 HA MET A 75 0.156 7.339 5.451 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.223 10.107 6.664 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.258 9.349 6.111 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.557 7.367 7.650 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.547 8.517 8.377 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.054 8.978 8.287 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.035 9.125 6.835 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.164 7.562 7.677 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.425 8.330 3.264 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.696 8.844 1.929 1.00 0.00 C ATOM 1192 C PHE A 76 -2.132 8.568 1.503 1.00 0.00 C ATOM 1193 O PHE A 76 -2.832 7.766 2.114 1.00 0.00 O ATOM 1194 CB PHE A 76 0.264 8.214 0.927 1.00 0.00 C ATOM 1195 CG PHE A 76 -0.092 6.800 0.581 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.239 5.754 1.426 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.772 6.518 -0.589 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -0.099 4.460 1.105 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -1.109 5.222 -0.914 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.770 4.192 -0.062 1.00 0.00 C ATOM 0 H PHE A 76 -0.859 7.430 3.472 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.552 9.924 1.952 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.274 8.813 0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.274 8.238 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.768 5.956 2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.042 7.323 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.164 3.653 1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.637 5.014 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.032 3.175 -0.313 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.555 9.240 0.443 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.902 9.072 -0.090 1.00 0.00 C ATOM 1212 C ARG A 77 -3.902 8.070 -1.244 1.00 0.00 C ATOM 1213 O ARG A 77 -3.374 8.345 -2.321 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.456 10.424 -0.544 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.906 11.300 0.612 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.608 12.770 0.364 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.488 13.355 -0.644 1.00 0.00 N ATOM 1218 CZ ARG A 77 -6.060 14.550 -0.515 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -5.853 15.273 0.579 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -6.838 15.025 -1.476 1.00 0.00 N ATOM 0 H ARG A 77 -1.982 9.911 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.546 8.679 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.691 10.950 -1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.298 10.258 -1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.976 11.169 0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.407 10.978 1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.713 13.322 1.298 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.572 12.879 0.045 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.674 12.819 -1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.255 14.913 1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.292 16.188 0.676 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.001 14.475 -2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.274 15.941 -1.373 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.494 6.903 -1.002 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.559 5.841 -2.005 1.00 0.00 C ATOM 1236 C PHE A 78 -5.842 5.926 -2.822 1.00 0.00 C ATOM 1237 O PHE A 78 -6.914 5.579 -2.326 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.510 4.465 -1.319 1.00 0.00 C ATOM 1239 CG PHE A 78 -4.184 3.319 -2.251 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -5.111 2.864 -3.181 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.949 2.697 -2.194 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.802 1.812 -4.030 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.638 1.650 -3.038 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.564 1.207 -3.956 1.00 0.00 C ATOM 0 H PHE A 78 -4.938 6.667 -0.115 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.704 5.966 -2.670 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.766 4.494 -0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.473 4.272 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.081 3.334 -3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.216 3.037 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.530 1.466 -4.749 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.668 1.178 -2.978 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.322 0.388 -4.617 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.746 6.379 -4.070 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.925 6.430 -4.917 1.00 0.00 C ATOM 1256 C ARG A 79 -7.374 5.002 -5.146 1.00 0.00 C ATOM 1257 O ARG A 79 -6.780 4.274 -5.940 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.639 7.126 -6.250 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.854 7.216 -7.162 1.00 0.00 C ATOM 1260 CD ARG A 79 -8.054 5.936 -7.950 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.854 6.149 -9.151 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.664 5.493 -10.292 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -7.703 4.582 -10.386 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -9.433 5.750 -11.341 1.00 0.00 N ATOM 0 H ARG A 79 -4.884 6.708 -4.505 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.706 7.012 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.267 8.132 -6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.845 6.588 -6.768 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.743 7.420 -6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.733 8.053 -7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.083 5.528 -8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.541 5.194 -7.317 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.602 6.841 -9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.108 4.384 -9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.560 4.080 -11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.171 6.451 -11.273 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.287 5.247 -12.216 1.00 0.00 H new ATOM 1278 N SER A 80 -8.410 4.600 -4.433 1.00 0.00 N ATOM 1279 CA SER A 80 -8.898 3.245 -4.514 1.00 0.00 C ATOM 1280 C SER A 80 -9.861 3.017 -5.671 1.00 0.00 C ATOM 1281 O SER A 80 -10.070 3.890 -6.510 1.00 0.00 O ATOM 1282 CB SER A 80 -9.544 2.881 -3.191 1.00 0.00 C ATOM 1283 OG SER A 80 -8.560 2.778 -2.181 1.00 0.00 O ATOM 0 H SER A 80 -8.928 5.199 -3.790 1.00 0.00 H new ATOM 0 HA SER A 80 -8.046 2.595 -4.713 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.280 3.637 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.078 1.936 -3.286 1.00 0.00 H new ATOM 0 HG SER A 80 -8.060 3.619 -2.124 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.419 1.811 -5.707 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.351 1.408 -6.742 1.00 0.00 C ATOM 1291 C LYS A 81 -12.576 2.318 -6.762 1.00 0.00 C ATOM 1292 O LYS A 81 -13.299 2.385 -7.755 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.762 -0.048 -6.518 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.350 -0.683 -7.749 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.514 -1.858 -8.208 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.163 -2.565 -9.374 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.389 -3.303 -8.967 1.00 0.00 N ATOM 0 H LYS A 81 -10.233 1.086 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.861 1.497 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.892 -0.622 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.489 -0.095 -5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.367 -1.016 -7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.414 0.056 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.521 -1.512 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.381 -2.558 -7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.417 -1.836 -10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.451 -3.261 -9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.687 -3.933 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.188 -3.868 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.150 -2.625 -8.760 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.797 3.021 -5.654 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.926 3.936 -5.536 1.00 0.00 C ATOM 1313 C ASN A 82 -13.550 5.324 -6.042 1.00 0.00 C ATOM 1314 O ASN A 82 -14.360 6.251 -6.003 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.399 4.012 -4.084 1.00 0.00 C ATOM 1316 CG ASN A 82 -13.247 3.970 -3.099 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -12.691 5.003 -2.731 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -12.885 2.768 -2.665 1.00 0.00 N ATOM 0 H ASN A 82 -12.207 2.973 -4.824 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.741 3.555 -6.151 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -14.966 4.931 -3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.077 3.183 -3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.117 2.676 -2.000 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.375 1.937 -2.997 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.311 5.455 -6.510 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.808 6.717 -7.044 1.00 0.00 C ATOM 1327 C GLN A 83 -11.777 7.792 -5.967 1.00 0.00 C ATOM 1328 O GLN A 83 -11.991 8.973 -6.244 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.670 7.169 -8.221 1.00 0.00 C ATOM 1330 CG GLN A 83 -13.015 6.039 -9.179 1.00 0.00 C ATOM 1331 CD GLN A 83 -12.720 6.386 -10.623 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -12.819 7.544 -11.030 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -12.348 5.381 -11.405 1.00 0.00 N ATOM 0 H GLN A 83 -11.632 4.694 -6.530 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.787 6.559 -7.392 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.592 7.608 -7.840 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.145 7.953 -8.767 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.452 5.148 -8.901 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.072 5.792 -9.078 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.280 4.437 -11.025 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.130 5.552 -12.387 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.502 7.374 -4.735 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.436 8.297 -3.611 1.00 0.00 C ATOM 1344 C GLU A 84 -10.084 8.200 -2.917 1.00 0.00 C ATOM 1345 O GLU A 84 -9.501 7.119 -2.822 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.555 7.998 -2.618 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.928 7.891 -3.259 1.00 0.00 C ATOM 1348 CD GLU A 84 -15.034 7.700 -2.239 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.278 6.542 -1.838 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -15.655 8.707 -1.842 1.00 0.00 O ATOM 0 H GLU A 84 -11.321 6.400 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.560 9.311 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.331 7.064 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.577 8.783 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.125 8.792 -3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.935 7.054 -3.958 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.588 9.333 -2.433 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.304 9.371 -1.751 1.00 0.00 C ATOM 1359 C TRP A 85 -8.386 8.677 -0.395 1.00 0.00 C ATOM 1360 O TRP A 85 -8.711 9.299 0.616 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.841 10.822 -1.589 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.397 11.453 -2.871 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.840 12.619 -3.414 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.416 10.942 -3.763 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -7.193 12.862 -4.604 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.310 11.840 -4.839 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.623 9.807 -3.750 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.430 11.629 -5.897 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.747 9.594 -4.794 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.656 10.501 -5.858 1.00 0.00 C ATOM 0 H TRP A 85 -10.057 10.236 -2.501 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.574 8.834 -2.356 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.656 11.410 -1.167 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -7.020 10.855 -0.873 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.590 13.260 -2.975 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.345 13.668 -5.210 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.689 9.100 -2.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.361 12.329 -6.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -4.121 8.714 -4.791 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.962 10.306 -6.662 1.00 0.00 H new ATOM 1381 N LEU A 86 -8.086 7.381 -0.390 1.00 0.00 N ATOM 1382 CA LEU A 86 -8.126 6.580 0.829 1.00 0.00 C ATOM 1383 C LEU A 86 -6.863 6.757 1.657 1.00 0.00 C ATOM 1384 O LEU A 86 -5.823 6.183 1.341 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.304 5.099 0.483 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.665 4.697 -0.104 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.944 3.238 0.207 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.780 5.576 0.447 1.00 0.00 C ATOM 0 H LEU A 86 -7.811 6.861 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.974 6.925 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.528 4.818 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.135 4.514 1.387 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.631 4.836 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.910 2.955 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.163 2.617 -0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.959 3.093 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.732 5.269 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.823 5.472 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.583 6.617 0.190 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.956 7.537 2.730 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.803 7.758 3.588 1.00 0.00 C ATOM 1402 C TRP A 87 -5.340 6.445 4.189 1.00 0.00 C ATOM 1403 O TRP A 87 -6.120 5.706 4.789 1.00 0.00 O ATOM 1404 CB TRP A 87 -6.110 8.759 4.694 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.788 10.171 4.312 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.674 11.128 3.912 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.487 10.785 4.280 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -6.012 12.298 3.632 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.672 12.114 3.848 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -3.186 10.346 4.573 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.611 13.004 3.699 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -2.138 11.236 4.422 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.356 12.548 3.987 1.00 0.00 C ATOM 0 H TRP A 87 -7.806 8.019 3.021 1.00 0.00 H new ATOM 0 HA TRP A 87 -5.006 8.175 2.972 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.166 8.691 4.955 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.543 8.492 5.586 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.741 10.986 3.828 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.448 13.164 3.315 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.007 9.335 4.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.775 14.019 3.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.132 10.912 4.644 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.514 13.215 3.877 1.00 0.00 H new ATOM 1424 N MET A 88 -4.064 6.172 4.019 1.00 0.00 N ATOM 1425 CA MET A 88 -3.466 4.946 4.512 1.00 0.00 C ATOM 1426 C MET A 88 -2.122 5.205 5.151 1.00 0.00 C ATOM 1427 O MET A 88 -1.487 6.228 4.912 1.00 0.00 O ATOM 1428 CB MET A 88 -3.264 3.962 3.365 1.00 0.00 C ATOM 1429 CG MET A 88 -4.518 3.680 2.581 1.00 0.00 C ATOM 1430 SD MET A 88 -5.387 2.212 3.135 1.00 0.00 S ATOM 1431 CE MET A 88 -6.707 2.189 1.933 1.00 0.00 C ATOM 0 H MET A 88 -3.412 6.791 3.537 1.00 0.00 H new ATOM 0 HA MET A 88 -4.145 4.532 5.257 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.505 4.356 2.689 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.878 3.025 3.766 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.185 4.539 2.656 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.262 3.566 1.528 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.920 1.159 1.646 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.601 2.638 2.366 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.407 2.756 1.052 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.707 4.259 5.964 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.423 4.318 6.626 1.00 0.00 C ATOM 1443 C ARG A 89 0.406 3.131 6.165 1.00 0.00 C ATOM 1444 O ARG A 89 -0.007 1.983 6.328 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.599 4.269 8.138 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.601 5.273 8.666 1.00 0.00 C ATOM 1447 CD ARG A 89 -1.126 5.867 9.974 1.00 0.00 C ATOM 1448 NE ARG A 89 -1.154 4.892 11.061 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.443 5.012 12.178 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.348 6.061 12.357 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.524 4.081 13.119 1.00 0.00 N ATOM 0 H ARG A 89 -2.252 3.425 6.185 1.00 0.00 H new ATOM 0 HA ARG A 89 0.078 5.252 6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.916 3.267 8.426 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.366 4.447 8.613 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.749 6.066 7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.567 4.789 8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.111 6.245 9.853 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.755 6.718 10.235 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.753 4.073 10.957 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.413 6.780 11.636 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.892 6.149 13.215 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.132 3.273 12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.022 4.173 13.976 1.00 0.00 H new ATOM 1465 N THR A 90 1.571 3.393 5.599 1.00 0.00 N ATOM 1466 CA THR A 90 2.402 2.310 5.090 1.00 0.00 C ATOM 1467 C THR A 90 3.454 1.853 6.076 1.00 0.00 C ATOM 1468 O THR A 90 4.098 2.668 6.744 1.00 0.00 O ATOM 1469 CB THR A 90 3.135 2.700 3.804 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.337 3.404 4.121 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.256 3.556 2.927 1.00 0.00 C ATOM 0 H THR A 90 1.960 4.328 5.480 1.00 0.00 H new ATOM 0 HA THR A 90 1.698 1.499 4.902 1.00 0.00 H new ATOM 0 HB THR A 90 3.384 1.789 3.260 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.111 2.875 3.836 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.797 3.822 2.019 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.355 3.002 2.664 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.980 4.464 3.464 1.00 0.00 H new ATOM 1479 N SER A 91 3.618 0.534 6.133 1.00 0.00 N ATOM 1480 CA SER A 91 4.618 -0.107 6.968 1.00 0.00 C ATOM 1481 C SER A 91 5.638 -0.763 6.043 1.00 0.00 C ATOM 1482 O SER A 91 5.713 -1.987 5.940 1.00 0.00 O ATOM 1483 CB SER A 91 3.967 -1.145 7.885 1.00 0.00 C ATOM 1484 OG SER A 91 3.683 -0.596 9.159 1.00 0.00 O ATOM 0 H SER A 91 3.053 -0.122 5.594 1.00 0.00 H new ATOM 0 HA SER A 91 5.108 0.626 7.609 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.046 -1.510 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.630 -2.003 7.995 1.00 0.00 H new ATOM 0 HG SER A 91 3.266 -1.280 9.724 1.00 0.00 H new ATOM 1490 N SER A 92 6.408 0.080 5.361 1.00 0.00 N ATOM 1491 CA SER A 92 7.396 -0.374 4.388 1.00 0.00 C ATOM 1492 C SER A 92 8.707 -0.793 5.035 1.00 0.00 C ATOM 1493 O SER A 92 9.331 -0.029 5.758 1.00 0.00 O ATOM 1494 CB SER A 92 7.659 0.731 3.370 1.00 0.00 C ATOM 1495 OG SER A 92 6.503 1.528 3.177 1.00 0.00 O ATOM 0 H SER A 92 6.365 1.094 5.467 1.00 0.00 H new ATOM 0 HA SER A 92 6.982 -1.254 3.896 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.484 1.357 3.712 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.965 0.291 2.421 1.00 0.00 H new ATOM 0 HG SER A 92 6.574 2.006 2.325 1.00 0.00 H new ATOM 1501 N GLN A 93 9.119 -2.015 4.751 1.00 0.00 N ATOM 1502 CA GLN A 93 10.363 -2.550 5.273 1.00 0.00 C ATOM 1503 C GLN A 93 10.775 -3.759 4.453 1.00 0.00 C ATOM 1504 O GLN A 93 9.927 -4.537 4.029 1.00 0.00 O ATOM 1505 CB GLN A 93 10.223 -2.916 6.744 1.00 0.00 C ATOM 1506 CG GLN A 93 9.201 -4.002 7.019 1.00 0.00 C ATOM 1507 CD GLN A 93 9.180 -4.399 8.476 1.00 0.00 C ATOM 1508 OE1 GLN A 93 8.158 -4.841 9.003 1.00 0.00 O ATOM 1509 NE2 GLN A 93 10.316 -4.232 9.136 1.00 0.00 N ATOM 0 H GLN A 93 8.603 -2.662 4.155 1.00 0.00 H new ATOM 0 HA GLN A 93 11.137 -1.786 5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.193 -3.242 7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.947 -2.023 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.212 -3.653 6.724 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.426 -4.876 6.408 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.136 -3.862 8.655 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.371 -4.473 10.126 1.00 0.00 H new ATOM 1518 N THR A 94 12.076 -3.919 4.251 1.00 0.00 N ATOM 1519 CA THR A 94 12.600 -5.013 3.446 1.00 0.00 C ATOM 1520 C THR A 94 11.864 -6.318 3.703 1.00 0.00 C ATOM 1521 O THR A 94 11.840 -6.833 4.821 1.00 0.00 O ATOM 1522 CB THR A 94 14.098 -5.202 3.695 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.317 -5.830 4.964 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.792 -3.854 3.665 1.00 0.00 C ATOM 0 H THR A 94 12.791 -3.301 4.636 1.00 0.00 H new ATOM 0 HA THR A 94 12.441 -4.741 2.403 1.00 0.00 H new ATOM 0 HB THR A 94 14.508 -5.841 2.913 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.455 -6.065 5.366 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.859 -3.990 3.842 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.643 -3.389 2.690 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.374 -3.212 4.441 1.00 0.00 H new ATOM 1532 N ALA A 95 11.256 -6.830 2.640 1.00 0.00 N ATOM 1533 CA ALA A 95 10.492 -8.070 2.685 1.00 0.00 C ATOM 1534 C ALA A 95 11.256 -9.195 3.372 1.00 0.00 C ATOM 1535 O ALA A 95 12.450 -9.081 3.647 1.00 0.00 O ATOM 1536 CB ALA A 95 10.117 -8.488 1.277 1.00 0.00 C ATOM 0 H ALA A 95 11.279 -6.394 1.718 1.00 0.00 H new ATOM 0 HA ALA A 95 9.593 -7.882 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.546 -9.416 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.513 -7.707 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.022 -8.642 0.690 1.00 0.00 H new ATOM 1542 N GLN A 96 10.550 -10.286 3.633 1.00 0.00 N ATOM 1543 CA GLN A 96 11.137 -11.447 4.281 1.00 0.00 C ATOM 1544 C GLN A 96 12.207 -12.075 3.409 1.00 0.00 C ATOM 1545 O GLN A 96 13.374 -11.688 3.473 1.00 0.00 O ATOM 1546 CB GLN A 96 10.047 -12.459 4.610 1.00 0.00 C ATOM 1547 CG GLN A 96 8.764 -11.815 5.105 1.00 0.00 C ATOM 1548 CD GLN A 96 8.129 -12.582 6.245 1.00 0.00 C ATOM 1549 OE1 GLN A 96 8.232 -13.806 6.321 1.00 0.00 O ATOM 1550 NE2 GLN A 96 7.470 -11.862 7.144 1.00 0.00 N ATOM 0 H GLN A 96 9.562 -10.390 3.403 1.00 0.00 H new ATOM 0 HA GLN A 96 11.613 -11.125 5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.829 -13.051 3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.417 -13.148 5.369 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.975 -10.797 5.431 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.055 -11.745 4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.410 -10.849 7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 96 7.024 -12.322 7.938 1.00 0.00 H new ATOM 1559 N ASN A 97 11.803 -13.033 2.589 1.00 0.00 N ATOM 1560 CA ASN A 97 12.736 -13.717 1.710 1.00 0.00 C ATOM 1561 C ASN A 97 12.009 -14.713 0.804 1.00 0.00 C ATOM 1562 O ASN A 97 10.929 -15.194 1.146 1.00 0.00 O ATOM 1563 CB ASN A 97 13.806 -14.416 2.556 1.00 0.00 C ATOM 1564 CG ASN A 97 13.268 -15.583 3.369 1.00 0.00 C ATOM 1565 OD1 ASN A 97 12.349 -16.286 2.951 1.00 0.00 O ATOM 1566 ND2 ASN A 97 13.846 -15.792 4.547 1.00 0.00 N ATOM 0 H ASN A 97 10.837 -13.353 2.515 1.00 0.00 H new ATOM 0 HA ASN A 97 13.218 -12.986 1.061 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.599 -14.775 1.900 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.256 -13.689 3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.530 -16.559 5.141 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.606 -15.186 4.857 1.00 0.00 H new ATOM 1573 N PRO A 98 12.576 -15.030 -0.380 1.00 0.00 N ATOM 1574 CA PRO A 98 13.847 -14.472 -0.857 1.00 0.00 C ATOM 1575 C PRO A 98 13.714 -13.044 -1.384 1.00 0.00 C ATOM 1576 O PRO A 98 14.582 -12.565 -2.114 1.00 0.00 O ATOM 1577 CB PRO A 98 14.207 -15.417 -1.999 1.00 0.00 C ATOM 1578 CG PRO A 98 12.900 -15.838 -2.543 1.00 0.00 C ATOM 1579 CD PRO A 98 12.021 -15.996 -1.346 1.00 0.00 C ATOM 0 HA PRO A 98 14.589 -14.405 -0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 98 14.811 -14.916 -2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.784 -16.270 -1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 98 12.500 -15.094 -3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.985 -16.773 -3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.980 -15.775 -1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 98 12.051 -17.014 -0.958 1.00 0.00 H new ATOM 1587 N TYR A 99 12.629 -12.367 -1.018 1.00 0.00 N ATOM 1588 CA TYR A 99 12.404 -11.000 -1.466 1.00 0.00 C ATOM 1589 C TYR A 99 12.961 -10.013 -0.454 1.00 0.00 C ATOM 1590 O TYR A 99 12.458 -8.906 -0.316 1.00 0.00 O ATOM 1591 CB TYR A 99 10.916 -10.727 -1.701 1.00 0.00 C ATOM 1592 CG TYR A 99 10.045 -11.957 -1.628 1.00 0.00 C ATOM 1593 CD1 TYR A 99 10.249 -13.007 -2.508 1.00 0.00 C ATOM 1594 CD2 TYR A 99 9.023 -12.066 -0.697 1.00 0.00 C ATOM 1595 CE1 TYR A 99 9.457 -14.139 -2.466 1.00 0.00 C ATOM 1596 CE2 TYR A 99 8.226 -13.194 -0.643 1.00 0.00 C ATOM 1597 CZ TYR A 99 8.447 -14.228 -1.531 1.00 0.00 C ATOM 1598 OH TYR A 99 7.655 -15.352 -1.484 1.00 0.00 O ATOM 0 H TYR A 99 11.896 -12.742 -0.415 1.00 0.00 H new ATOM 0 HA TYR A 99 12.925 -10.872 -2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.569 -10.005 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.793 -10.265 -2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 99 11.041 -12.940 -3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.847 -11.257 -0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.628 -14.948 -3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.435 -13.266 0.089 1.00 0.00 H new ATOM 0 HH TYR A 99 6.993 -15.256 -0.768 1.00 0.00 H new ATOM 1608 N SER A 100 14.003 -10.420 0.256 1.00 0.00 N ATOM 1609 CA SER A 100 14.612 -9.554 1.253 1.00 0.00 C ATOM 1610 C SER A 100 15.099 -8.262 0.607 1.00 0.00 C ATOM 1611 O SER A 100 15.139 -7.212 1.248 1.00 0.00 O ATOM 1612 CB SER A 100 15.770 -10.269 1.952 1.00 0.00 C ATOM 1613 OG SER A 100 16.374 -9.434 2.923 1.00 0.00 O ATOM 0 H SER A 100 14.441 -11.336 0.161 1.00 0.00 H new ATOM 0 HA SER A 100 13.858 -9.307 2.001 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.405 -11.180 2.427 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.514 -10.571 1.214 1.00 0.00 H new ATOM 0 HG SER A 100 17.110 -9.915 3.356 1.00 0.00 H new ATOM 1619 N ASP A 101 15.468 -8.349 -0.667 1.00 0.00 N ATOM 1620 CA ASP A 101 15.935 -7.183 -1.409 1.00 0.00 C ATOM 1621 C ASP A 101 14.748 -6.316 -1.816 1.00 0.00 C ATOM 1622 O ASP A 101 14.913 -5.249 -2.408 1.00 0.00 O ATOM 1623 CB ASP A 101 16.719 -7.618 -2.649 1.00 0.00 C ATOM 1624 CG ASP A 101 15.881 -8.449 -3.601 1.00 0.00 C ATOM 1625 OD1 ASP A 101 15.729 -9.663 -3.354 1.00 0.00 O ATOM 1626 OD2 ASP A 101 15.378 -7.884 -4.595 1.00 0.00 O ATOM 0 H ASP A 101 15.453 -9.214 -1.207 1.00 0.00 H new ATOM 0 HA ASP A 101 16.597 -6.601 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.088 -6.735 -3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.592 -8.194 -2.340 1.00 0.00 H new ATOM 1631 N GLU A 102 13.553 -6.794 -1.488 1.00 0.00 N ATOM 1632 CA GLU A 102 12.318 -6.084 -1.799 1.00 0.00 C ATOM 1633 C GLU A 102 11.896 -5.203 -0.643 1.00 0.00 C ATOM 1634 O GLU A 102 12.703 -4.843 0.214 1.00 0.00 O ATOM 1635 CB GLU A 102 11.184 -7.063 -2.096 1.00 0.00 C ATOM 1636 CG GLU A 102 11.459 -7.966 -3.265 1.00 0.00 C ATOM 1637 CD GLU A 102 10.201 -8.391 -3.996 1.00 0.00 C ATOM 1638 OE1 GLU A 102 9.220 -8.770 -3.322 1.00 0.00 O ATOM 1639 OE2 GLU A 102 10.200 -8.353 -5.244 1.00 0.00 O ATOM 0 H GLU A 102 13.413 -7.680 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 102 12.514 -5.471 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.001 -7.673 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.271 -6.500 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.123 -7.455 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.986 -8.853 -2.915 1.00 0.00 H new ATOM 1646 N ILE A 103 10.614 -4.870 -0.631 1.00 0.00 N ATOM 1647 CA ILE A 103 10.050 -4.028 0.418 1.00 0.00 C ATOM 1648 C ILE A 103 8.593 -4.378 0.706 1.00 0.00 C ATOM 1649 O ILE A 103 7.699 -4.091 -0.092 1.00 0.00 O ATOM 1650 CB ILE A 103 10.141 -2.524 0.058 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.599 -2.116 -0.182 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.502 -1.665 1.151 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.774 -0.705 -0.708 1.00 0.00 C ATOM 0 H ILE A 103 9.942 -5.170 -1.337 1.00 0.00 H new ATOM 0 HA ILE A 103 10.646 -4.220 1.310 1.00 0.00 H new ATOM 0 HB ILE A 103 9.586 -2.357 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.150 -2.213 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.047 -2.813 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.577 -0.613 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.452 -1.937 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.021 -1.832 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.835 -0.498 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.254 -0.605 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.359 0.004 0.008 1.00 0.00 H new ATOM 1665 N GLU A 104 8.375 -5.010 1.852 1.00 0.00 N ATOM 1666 CA GLU A 104 7.043 -5.380 2.298 1.00 0.00 C ATOM 1667 C GLU A 104 6.356 -4.165 2.907 1.00 0.00 C ATOM 1668 O GLU A 104 6.725 -3.712 3.992 1.00 0.00 O ATOM 1669 CB GLU A 104 7.138 -6.493 3.335 1.00 0.00 C ATOM 1670 CG GLU A 104 5.884 -7.342 3.435 1.00 0.00 C ATOM 1671 CD GLU A 104 6.052 -8.527 4.364 1.00 0.00 C ATOM 1672 OE1 GLU A 104 5.865 -8.355 5.587 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.371 -9.630 3.869 1.00 0.00 O ATOM 0 H GLU A 104 9.118 -5.279 2.497 1.00 0.00 H new ATOM 0 HA GLU A 104 6.462 -5.735 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.983 -7.136 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.347 -6.052 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.059 -6.723 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.612 -7.700 2.442 1.00 0.00 H new ATOM 1680 N THR A 105 5.363 -3.641 2.209 1.00 0.00 N ATOM 1681 CA THR A 105 4.648 -2.462 2.672 1.00 0.00 C ATOM 1682 C THR A 105 3.212 -2.786 3.065 1.00 0.00 C ATOM 1683 O THR A 105 2.396 -3.161 2.224 1.00 0.00 O ATOM 1684 CB THR A 105 4.661 -1.368 1.588 1.00 0.00 C ATOM 1685 OG1 THR A 105 5.974 -0.814 1.494 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.660 -0.261 1.888 1.00 0.00 C ATOM 0 H THR A 105 5.033 -4.013 1.319 1.00 0.00 H new ATOM 0 HA THR A 105 5.163 -2.098 3.561 1.00 0.00 H new ATOM 0 HB THR A 105 4.374 -1.827 0.642 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.111 -0.449 0.595 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.701 0.490 1.099 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.656 -0.682 1.936 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.905 0.202 2.844 1.00 0.00 H new ATOM 1694 N ILE A 106 2.912 -2.638 4.354 1.00 0.00 N ATOM 1695 CA ILE A 106 1.570 -2.903 4.857 1.00 0.00 C ATOM 1696 C ILE A 106 0.733 -1.633 4.847 1.00 0.00 C ATOM 1697 O ILE A 106 0.883 -0.771 5.715 1.00 0.00 O ATOM 1698 CB ILE A 106 1.577 -3.478 6.289 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.266 -4.845 6.316 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.149 -3.593 6.820 1.00 0.00 C ATOM 1701 CD1 ILE A 106 3.773 -4.772 6.177 1.00 0.00 C ATOM 0 H ILE A 106 3.579 -2.337 5.065 1.00 0.00 H new ATOM 0 HA ILE A 106 1.136 -3.648 4.190 1.00 0.00 H new ATOM 0 HB ILE A 106 2.136 -2.798 6.932 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.021 -5.347 7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.865 -5.460 5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.168 -4.000 7.831 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.314 -2.606 6.835 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.427 -4.255 6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.190 -5.779 6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.028 -4.300 5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.186 -4.185 6.997 1.00 0.00 H new ATOM 1713 N ILE A 107 -0.142 -1.521 3.861 1.00 0.00 N ATOM 1714 CA ILE A 107 -1.003 -0.358 3.741 1.00 0.00 C ATOM 1715 C ILE A 107 -2.235 -0.494 4.633 1.00 0.00 C ATOM 1716 O ILE A 107 -3.131 -1.288 4.348 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.433 -0.151 2.288 1.00 0.00 C ATOM 1718 CG1 ILE A 107 -0.195 0.057 1.421 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.378 1.033 2.186 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.484 0.042 -0.057 1.00 0.00 C ATOM 0 H ILE A 107 -0.274 -2.222 3.132 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.433 0.512 4.067 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.965 -1.034 1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.266 1.009 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.533 -0.722 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.678 1.171 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.261 0.847 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.874 1.932 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.442 0.196 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.917 -0.920 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.187 0.839 -0.298 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.281 0.293 5.704 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.392 0.242 6.652 1.00 0.00 C ATOM 1734 C CYS A 108 -4.320 1.448 6.521 1.00 0.00 C ATOM 1735 O CYS A 108 -3.876 2.593 6.561 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.848 0.169 8.080 1.00 0.00 C ATOM 1737 SG CYS A 108 -4.111 0.315 9.365 1.00 0.00 S ATOM 0 H CYS A 108 -1.560 0.976 5.938 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.976 -0.650 6.424 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.323 -0.778 8.209 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.113 0.962 8.217 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.190 -0.303 8.985 1.00 0.00 H new ATOM 1743 N THR A 109 -5.616 1.177 6.373 1.00 0.00 N ATOM 1744 CA THR A 109 -6.616 2.235 6.262 1.00 0.00 C ATOM 1745 C THR A 109 -6.637 3.074 7.535 1.00 0.00 C ATOM 1746 O THR A 109 -6.503 2.540 8.636 1.00 0.00 O ATOM 1747 CB THR A 109 -8.024 1.654 6.042 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.344 0.732 7.090 1.00 0.00 O ATOM 1749 CG2 THR A 109 -8.117 0.956 4.700 1.00 0.00 C ATOM 0 H THR A 109 -5.997 0.232 6.327 1.00 0.00 H new ATOM 0 HA THR A 109 -6.344 2.851 5.405 1.00 0.00 H new ATOM 0 HB THR A 109 -8.738 2.478 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 109 -8.671 -0.106 6.700 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.121 0.554 4.568 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.904 1.669 3.904 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.393 0.142 4.662 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.808 4.384 7.390 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.845 5.270 8.549 1.00 0.00 C ATOM 1759 C ASN A 110 -8.192 5.975 8.665 1.00 0.00 C ATOM 1760 O ASN A 110 -9.016 5.618 9.507 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.718 6.302 8.475 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.577 7.090 9.766 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -6.568 7.457 10.396 1.00 0.00 O ATOM 1764 ND2 ASN A 110 -4.339 7.341 10.175 1.00 0.00 N ATOM 0 H ASN A 110 -6.922 4.852 6.491 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.704 4.655 9.438 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.778 5.796 8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.910 6.989 7.651 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.183 7.856 11.041 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.544 7.019 9.623 1.00 0.00 H new ATOM 1771 N THR A 111 -8.412 6.975 7.818 1.00 0.00 N ATOM 1772 CA THR A 111 -9.658 7.731 7.843 1.00 0.00 C ATOM 1773 C THR A 111 -10.384 7.670 6.503 1.00 0.00 C ATOM 1774 O THR A 111 -9.808 7.278 5.487 1.00 0.00 O ATOM 1775 CB THR A 111 -9.406 9.206 8.210 1.00 0.00 C ATOM 1776 OG1 THR A 111 -10.639 9.933 8.199 1.00 0.00 O ATOM 1777 CG2 THR A 111 -8.424 9.847 7.241 1.00 0.00 C ATOM 0 H THR A 111 -7.746 7.280 7.108 1.00 0.00 H new ATOM 0 HA THR A 111 -10.286 7.269 8.605 1.00 0.00 H new ATOM 0 HB THR A 111 -8.976 9.238 9.211 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.469 10.869 8.435 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.263 10.888 7.522 1.00 0.00 H new ATOM 0 HG22 THR A 111 -7.476 9.311 7.276 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.829 9.802 6.230 1.00 0.00 H new ATOM 1785 N ASN A 112 -11.656 8.059 6.516 1.00 0.00 N ATOM 1786 CA ASN A 112 -12.477 8.058 5.312 1.00 0.00 C ATOM 1787 C ASN A 112 -13.756 8.863 5.532 1.00 0.00 C ATOM 1788 O ASN A 112 -14.833 8.299 5.727 1.00 0.00 O ATOM 1789 CB ASN A 112 -12.818 6.623 4.896 1.00 0.00 C ATOM 1790 CG ASN A 112 -13.501 5.839 6.002 1.00 0.00 C ATOM 1791 OD1 ASN A 112 -13.268 6.078 7.187 1.00 0.00 O ATOM 1792 ND2 ASN A 112 -14.352 4.895 5.617 1.00 0.00 N ATOM 0 H ASN A 112 -12.142 8.381 7.353 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.907 8.527 4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.466 6.647 4.020 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -11.904 6.107 4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -14.842 4.335 6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -14.516 4.730 4.624 1.00 0.00 H new ATOM 1799 N VAL A 113 -13.623 10.187 5.503 1.00 0.00 N ATOM 1800 CA VAL A 113 -14.758 11.082 5.705 1.00 0.00 C ATOM 1801 C VAL A 113 -15.366 10.888 7.092 1.00 0.00 C ATOM 1802 O VAL A 113 -16.209 10.014 7.293 1.00 0.00 O ATOM 1803 CB VAL A 113 -15.851 10.866 4.638 1.00 0.00 C ATOM 1804 CG1 VAL A 113 -17.000 11.843 4.841 1.00 0.00 C ATOM 1805 CG2 VAL A 113 -15.268 11.003 3.240 1.00 0.00 C ATOM 0 H VAL A 113 -12.736 10.665 5.341 1.00 0.00 H new ATOM 0 HA VAL A 113 -14.378 12.099 5.614 1.00 0.00 H new ATOM 0 HB VAL A 113 -16.242 9.854 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -17.760 11.674 4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -17.436 11.691 5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -16.627 12.864 4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -16.054 10.847 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -14.847 12.001 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -14.484 10.259 3.098 1.00 0.00 H new ATOM 1815 N LYS A 114 -14.926 11.711 8.043 1.00 0.00 N ATOM 1816 CA LYS A 114 -15.415 11.643 9.420 1.00 0.00 C ATOM 1817 C LYS A 114 -15.031 10.316 10.072 1.00 0.00 C ATOM 1818 O LYS A 114 -14.821 9.314 9.387 1.00 0.00 O ATOM 1819 CB LYS A 114 -16.936 11.827 9.460 1.00 0.00 C ATOM 1820 CG LYS A 114 -17.480 12.141 10.846 1.00 0.00 C ATOM 1821 CD LYS A 114 -17.094 13.542 11.300 1.00 0.00 C ATOM 1822 CE LYS A 114 -17.737 14.612 10.431 1.00 0.00 C ATOM 1823 NZ LYS A 114 -17.437 15.985 10.923 1.00 0.00 N ATOM 0 H LYS A 114 -14.227 12.437 7.884 1.00 0.00 H new ATOM 0 HA LYS A 114 -14.947 12.451 9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -17.213 12.632 8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -17.412 10.919 9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -18.566 12.047 10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -17.100 11.410 11.560 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -17.397 13.685 12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -16.010 13.649 11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -17.381 14.508 9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -18.816 14.462 10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -17.894 16.684 10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -17.799 16.093 11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.408 16.138 10.918 1.00 0.00 H new ATOM 1837 N ASN A 115 -14.934 10.320 11.399 1.00 0.00 N ATOM 1838 CA ASN A 115 -14.574 9.120 12.149 1.00 0.00 C ATOM 1839 C ASN A 115 -13.208 8.596 11.716 1.00 0.00 C ATOM 1840 O ASN A 115 -12.495 9.245 10.951 1.00 0.00 O ATOM 1841 CB ASN A 115 -15.633 8.031 11.960 1.00 0.00 C ATOM 1842 CG ASN A 115 -17.017 8.491 12.373 1.00 0.00 C ATOM 1843 OD1 ASN A 115 -17.408 8.358 13.532 1.00 0.00 O ATOM 1844 ND2 ASN A 115 -17.767 9.034 11.421 1.00 0.00 N ATOM 0 H ASN A 115 -15.100 11.143 11.978 1.00 0.00 H new ATOM 0 HA ASN A 115 -14.525 9.387 13.205 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -15.652 7.725 10.914 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -15.356 7.153 12.544 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -18.709 9.361 11.638 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -17.401 9.124 10.473 1.00 0.00 H new ATOM 1851 N SER A 116 -12.848 7.418 12.216 1.00 0.00 N ATOM 1852 CA SER A 116 -11.569 6.803 11.882 1.00 0.00 C ATOM 1853 C SER A 116 -11.695 5.283 11.844 1.00 0.00 C ATOM 1854 O SER A 116 -11.492 4.608 12.854 1.00 0.00 O ATOM 1855 CB SER A 116 -10.499 7.215 12.895 1.00 0.00 C ATOM 1856 OG SER A 116 -10.312 8.620 12.895 1.00 0.00 O ATOM 0 H SER A 116 -13.425 6.870 12.854 1.00 0.00 H new ATOM 0 HA SER A 116 -11.272 7.151 10.893 1.00 0.00 H new ATOM 0 HB2 SER A 116 -10.790 6.884 13.892 1.00 0.00 H new ATOM 0 HB3 SER A 116 -9.558 6.720 12.657 1.00 0.00 H new ATOM 0 HG SER A 116 -9.625 8.859 13.552 1.00 0.00 H new ATOM 1862 N SER A 117 -12.033 4.752 10.673 1.00 0.00 N ATOM 1863 CA SER A 117 -12.187 3.313 10.503 1.00 0.00 C ATOM 1864 C SER A 117 -11.735 2.880 9.111 1.00 0.00 C ATOM 1865 O SER A 117 -11.291 3.703 8.310 1.00 0.00 O ATOM 1866 CB SER A 117 -13.644 2.904 10.732 1.00 0.00 C ATOM 1867 OG SER A 117 -13.792 1.495 10.704 1.00 0.00 O ATOM 0 H SER A 117 -12.205 5.297 9.828 1.00 0.00 H new ATOM 0 HA SER A 117 -11.559 2.814 11.241 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.986 3.289 11.693 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.275 3.354 9.966 1.00 0.00 H new ATOM 0 HG SER A 117 -14.732 1.262 10.854 1.00 0.00 H new ATOM 1873 N GLN A 118 -11.851 1.587 8.830 1.00 0.00 N ATOM 1874 CA GLN A 118 -11.454 1.048 7.534 1.00 0.00 C ATOM 1875 C GLN A 118 -12.493 1.377 6.466 1.00 0.00 C ATOM 1876 O GLN A 118 -13.415 2.160 6.703 1.00 0.00 O ATOM 1877 CB GLN A 118 -11.254 -0.469 7.620 1.00 0.00 C ATOM 1878 CG GLN A 118 -12.533 -1.247 7.895 1.00 0.00 C ATOM 1879 CD GLN A 118 -13.014 -1.106 9.327 1.00 0.00 C ATOM 1880 OE1 GLN A 118 -14.216 -1.141 9.595 1.00 0.00 O ATOM 1881 NE2 GLN A 118 -12.078 -0.953 10.257 1.00 0.00 N ATOM 0 H GLN A 118 -12.216 0.893 9.482 1.00 0.00 H new ATOM 0 HA GLN A 118 -10.509 1.513 7.253 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -10.820 -0.822 6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.532 -0.686 8.408 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.315 -0.901 7.219 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.365 -2.301 7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -11.094 -0.930 9.991 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -12.344 -0.859 11.237 1.00 0.00 H new ATOM 1890 N GLU A 119 -12.337 0.777 5.290 1.00 0.00 N ATOM 1891 CA GLU A 119 -13.260 1.006 4.185 1.00 0.00 C ATOM 1892 C GLU A 119 -14.418 0.014 4.228 1.00 0.00 C ATOM 1893 O GLU A 119 -14.274 -1.090 3.663 1.00 0.00 O ATOM 1894 CB GLU A 119 -12.525 0.896 2.847 1.00 0.00 C ATOM 1895 CG GLU A 119 -13.404 1.183 1.641 1.00 0.00 C ATOM 1896 CD GLU A 119 -13.982 2.585 1.661 1.00 0.00 C ATOM 1897 OE1 GLU A 119 -13.325 3.505 1.132 1.00 0.00 O ATOM 1898 OE2 GLU A 119 -15.091 2.762 2.208 1.00 0.00 O ATOM 1899 OXT GLU A 119 -15.461 0.350 4.830 1.00 0.00 O ATOM 0 H GLU A 119 -11.579 0.128 5.078 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.666 2.013 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.685 1.590 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.110 -0.107 2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.821 1.048 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.218 0.459 1.609 1.00 0.00 H new TER 1906 GLU A 119