USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 716 hydrogens (11 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 NoAdj-H: B 238 NLE HN2 : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD NoAdj-H: B 238 NLE H : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD Set 1.1: A 98 ASN :FLIP amide:sc= 0.0601 F(o=-0.92,f=0.064) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0.00352 USER MOD Set 2.1: A 87 TYR OH : rot 180:sc= -0.0267 USER MOD Set 2.2: A 95 THR OG1 : rot 56:sc= 0.287 USER MOD Set 3.1: A 61 ASN : amide:sc= 0.00395 K(o=-1.8,f=-4.2!) USER MOD Set 3.2: A 62 THR OG1 : rot 15:sc= -1.82! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= -0.731 K(o=-0.73,f=-2.8!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0347 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.85) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -150:sc= -0.909 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 157:sc= 1.16 USER MOD Single : A 66 GLN : amide:sc= -2.97 K(o=-3,f=-6.6!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.57! C(o=-1.6!,f=-2.8!) USER MOD Single : A 74 SER OG : rot -123:sc= -2.67! USER MOD Single : A 89 ASN : amide:sc=-0.00597 X(o=-0.006,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -161:sc= 0.617! (180deg=-0.272!) USER MOD Single : A 93 TYR OH : rot 165:sc= -2.1! USER MOD Single : A 94 ASN : amide:sc= -0.677 K(o=-0.68,f=-3!) USER MOD Single : A 96 THR OG1 : rot -26:sc= 0.0439 USER MOD Single : A 106 ASN : amide:sc= -0.0055 X(o=-0.0055,f=-0.0055) USER MOD Single : A 108 THR OG1 : rot 180:sc=-0.00847 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.545 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.914 F(o=-1.7,f=-0.91) USER MOD Single : B 229 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 232 HIS : no HD1:sc= -0.0917 X(o=-0.092,f=-0.41) USER MOD Single : B 233 LYS NZ :NH3+ -103:sc= -11.8! (180deg=-16.4!) USER MOD Single : B 234 ASN : amide:sc= -2! C(o=-2!,f=-3.7!) USER MOD Single : B 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -8.769 4.688 -6.913 1.00 0.00 N ATOM 2 CA TYR A 44 -8.631 6.164 -6.727 1.00 0.00 C ATOM 3 C TYR A 44 -7.517 6.511 -5.726 1.00 0.00 C ATOM 4 O TYR A 44 -7.787 6.922 -4.599 1.00 0.00 O ATOM 5 CB TYR A 44 -9.980 6.726 -6.252 1.00 0.00 C ATOM 6 CG TYR A 44 -10.684 7.582 -7.283 1.00 0.00 C ATOM 7 CD1 TYR A 44 -11.164 7.030 -8.465 1.00 0.00 C ATOM 8 CD2 TYR A 44 -10.871 8.943 -7.072 1.00 0.00 C ATOM 9 CE1 TYR A 44 -11.808 7.810 -9.407 1.00 0.00 C ATOM 10 CE2 TYR A 44 -11.516 9.728 -8.011 1.00 0.00 C ATOM 11 CZ TYR A 44 -11.982 9.156 -9.175 1.00 0.00 C ATOM 12 OH TYR A 44 -12.622 9.933 -10.112 1.00 0.00 O ATOM 0 HA TYR A 44 -8.351 6.616 -7.679 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.631 5.897 -5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.819 7.318 -5.351 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.032 5.974 -8.650 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.507 9.395 -6.161 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.173 7.366 -10.321 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -11.654 10.784 -7.833 1.00 0.00 H new ATOM 0 HH TYR A 44 -12.664 10.859 -9.795 1.00 0.00 H new ATOM 22 N CYS A 45 -6.263 6.348 -6.154 1.00 0.00 N ATOM 23 CA CYS A 45 -5.109 6.652 -5.300 1.00 0.00 C ATOM 24 C CYS A 45 -4.631 8.098 -5.476 1.00 0.00 C ATOM 25 O CYS A 45 -3.860 8.603 -4.665 1.00 0.00 O ATOM 26 CB CYS A 45 -3.953 5.692 -5.603 1.00 0.00 C ATOM 27 SG CYS A 45 -2.645 5.671 -4.334 1.00 0.00 S ATOM 0 H CYS A 45 -6.020 6.008 -7.084 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.432 6.525 -4.267 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.353 4.684 -5.713 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.510 5.966 -6.561 1.00 0.00 H new ATOM 32 N HIS A 46 -5.088 8.758 -6.544 1.00 0.00 N ATOM 33 CA HIS A 46 -4.697 10.143 -6.832 1.00 0.00 C ATOM 34 C HIS A 46 -5.409 11.171 -5.935 1.00 0.00 C ATOM 35 O HIS A 46 -5.233 12.377 -6.124 1.00 0.00 O ATOM 36 CB HIS A 46 -4.967 10.470 -8.302 1.00 0.00 C ATOM 37 CG HIS A 46 -6.384 10.235 -8.720 1.00 0.00 C ATOM 38 ND1 HIS A 46 -7.424 11.066 -8.368 1.00 0.00 N ATOM 39 CD2 HIS A 46 -6.922 9.257 -9.477 1.00 0.00 C ATOM 40 CE1 HIS A 46 -8.546 10.610 -8.896 1.00 0.00 C ATOM 41 NE2 HIS A 46 -8.270 9.510 -9.575 1.00 0.00 N ATOM 0 H HIS A 46 -5.731 8.355 -7.226 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.631 10.216 -6.618 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.712 11.514 -8.486 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.308 9.866 -8.926 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -7.341 11.902 -7.790 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.392 8.429 -9.924 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.522 11.059 -8.791 1.00 0.00 H new ATOM 50 N ARG A 47 -6.208 10.706 -4.970 1.00 0.00 N ATOM 51 CA ARG A 47 -6.927 11.610 -4.066 1.00 0.00 C ATOM 52 C ARG A 47 -7.861 12.549 -4.845 1.00 0.00 C ATOM 53 O ARG A 47 -8.128 12.330 -6.031 1.00 0.00 O ATOM 54 CB ARG A 47 -5.923 12.424 -3.238 1.00 0.00 C ATOM 55 CG ARG A 47 -5.134 11.594 -2.231 1.00 0.00 C ATOM 56 CD ARG A 47 -5.378 12.052 -0.795 1.00 0.00 C ATOM 57 NE ARG A 47 -5.672 13.490 -0.711 1.00 0.00 N ATOM 58 CZ ARG A 47 -6.632 14.023 0.039 1.00 0.00 C ATOM 59 NH1 ARG A 47 -7.350 13.275 0.858 1.00 0.00 N ATOM 60 NH2 ARG A 47 -6.857 15.321 -0.013 1.00 0.00 N ATOM 0 H ARG A 47 -6.373 9.715 -4.795 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.542 11.008 -3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.224 12.917 -3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.459 13.210 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.412 10.545 -2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.070 11.664 -2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.209 11.488 -0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.500 11.827 -0.190 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.099 14.124 -1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.172 12.273 0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.083 13.700 1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.296 15.912 -0.627 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.592 15.735 0.560 1.00 0.00 H new ATOM 74 N THR A 48 -8.357 13.595 -4.169 1.00 0.00 N ATOM 75 CA THR A 48 -9.260 14.577 -4.781 1.00 0.00 C ATOM 76 C THR A 48 -10.688 14.037 -4.842 1.00 0.00 C ATOM 77 O THR A 48 -11.120 13.494 -5.859 1.00 0.00 O ATOM 78 CB THR A 48 -8.780 14.986 -6.182 1.00 0.00 C ATOM 79 OG1 THR A 48 -7.378 15.201 -6.192 1.00 0.00 O ATOM 80 CG2 THR A 48 -9.428 16.256 -6.689 1.00 0.00 C ATOM 0 H THR A 48 -8.145 13.783 -3.189 1.00 0.00 H new ATOM 0 HA THR A 48 -9.252 15.467 -4.152 1.00 0.00 H new ATOM 0 HB THR A 48 -9.063 14.159 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.093 15.459 -7.094 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.045 16.488 -7.683 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.508 16.118 -6.739 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.198 17.078 -6.011 1.00 0.00 H new ATOM 88 N THR A 49 -11.412 14.197 -3.732 1.00 0.00 N ATOM 89 CA THR A 49 -12.798 13.739 -3.622 1.00 0.00 C ATOM 90 C THR A 49 -12.882 12.210 -3.683 1.00 0.00 C ATOM 91 O THR A 49 -13.392 11.636 -4.646 1.00 0.00 O ATOM 92 CB THR A 49 -13.649 14.384 -4.719 1.00 0.00 C ATOM 93 OG1 THR A 49 -13.760 15.777 -4.501 1.00 0.00 O ATOM 94 CG2 THR A 49 -15.057 13.834 -4.813 1.00 0.00 C ATOM 0 H THR A 49 -11.056 14.646 -2.888 1.00 0.00 H new ATOM 0 HA THR A 49 -13.190 14.046 -2.652 1.00 0.00 H new ATOM 0 HB THR A 49 -13.129 14.154 -5.649 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.305 16.177 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.594 14.343 -5.614 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.017 12.766 -5.025 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.575 13.997 -3.868 1.00 0.00 H new ATOM 102 N ILE A 50 -12.382 11.556 -2.636 1.00 0.00 N ATOM 103 CA ILE A 50 -12.400 10.091 -2.555 1.00 0.00 C ATOM 104 C ILE A 50 -13.685 9.577 -1.897 1.00 0.00 C ATOM 105 O ILE A 50 -14.153 8.477 -2.199 1.00 0.00 O ATOM 106 CB ILE A 50 -11.177 9.558 -1.776 1.00 0.00 C ATOM 107 CG1 ILE A 50 -11.004 8.056 -2.010 1.00 0.00 C ATOM 108 CG2 ILE A 50 -11.303 9.853 -0.286 1.00 0.00 C ATOM 109 CD1 ILE A 50 -9.564 7.634 -2.202 1.00 0.00 C ATOM 0 H ILE A 50 -11.958 12.015 -1.830 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.360 9.720 -3.579 1.00 0.00 H new ATOM 0 HB ILE A 50 -10.292 10.073 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.422 7.514 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.579 7.765 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.428 9.466 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.371 10.930 -0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.200 9.374 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.519 6.557 -2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.147 8.148 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.987 7.893 -1.314 1.00 0.00 H new ATOM 121 N GLY A 51 -14.245 10.383 -0.992 1.00 0.00 N ATOM 122 CA GLY A 51 -15.467 10.003 -0.295 1.00 0.00 C ATOM 123 C GLY A 51 -16.694 10.003 -1.194 1.00 0.00 C ATOM 124 O GLY A 51 -17.525 10.908 -1.115 1.00 0.00 O ATOM 0 H GLY A 51 -13.872 11.295 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.339 9.009 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.633 10.690 0.535 1.00 0.00 H new ATOM 128 N ASN A 52 -16.810 8.980 -2.038 1.00 0.00 N ATOM 129 CA ASN A 52 -17.950 8.850 -2.950 1.00 0.00 C ATOM 130 C ASN A 52 -18.658 7.508 -2.739 1.00 0.00 C ATOM 131 O ASN A 52 -18.121 6.610 -2.086 1.00 0.00 O ATOM 132 CB ASN A 52 -17.507 8.978 -4.420 1.00 0.00 C ATOM 133 CG ASN A 52 -16.075 9.455 -4.585 1.00 0.00 C ATOM 134 OD1 ASN A 52 -15.198 8.692 -4.980 1.00 0.00 O ATOM 135 ND2 ASN A 52 -15.831 10.721 -4.287 1.00 0.00 N ATOM 0 H ASN A 52 -16.127 8.226 -2.111 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.644 9.660 -2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.617 8.010 -4.909 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.173 9.672 -4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.887 11.095 -4.383 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.587 11.323 -3.962 1.00 0.00 H new ATOM 142 N PHE A 53 -19.861 7.371 -3.297 1.00 0.00 N ATOM 143 CA PHE A 53 -20.627 6.127 -3.164 1.00 0.00 C ATOM 144 C PHE A 53 -20.403 5.203 -4.364 1.00 0.00 C ATOM 145 O PHE A 53 -19.681 5.546 -5.300 1.00 0.00 O ATOM 146 CB PHE A 53 -22.126 6.419 -2.994 1.00 0.00 C ATOM 147 CG PHE A 53 -22.707 7.315 -4.053 1.00 0.00 C ATOM 148 CD1 PHE A 53 -23.074 6.805 -5.287 1.00 0.00 C ATOM 149 CD2 PHE A 53 -22.890 8.667 -3.810 1.00 0.00 C ATOM 150 CE1 PHE A 53 -23.612 7.625 -6.260 1.00 0.00 C ATOM 151 CE2 PHE A 53 -23.426 9.492 -4.779 1.00 0.00 C ATOM 152 CZ PHE A 53 -23.788 8.971 -6.005 1.00 0.00 C ATOM 0 H PHE A 53 -20.325 8.098 -3.841 1.00 0.00 H new ATOM 0 HA PHE A 53 -20.267 5.618 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -22.670 5.475 -2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -22.286 6.878 -2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.938 5.753 -5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -22.610 9.080 -2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -23.894 7.214 -7.218 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.562 10.544 -4.578 1.00 0.00 H new ATOM 0 HZ PHE A 53 -24.208 9.615 -6.764 1.00 0.00 H new ATOM 162 N SER A 54 -21.030 4.024 -4.319 1.00 0.00 N ATOM 163 CA SER A 54 -20.907 3.028 -5.393 1.00 0.00 C ATOM 164 C SER A 54 -19.518 2.384 -5.394 1.00 0.00 C ATOM 165 O SER A 54 -18.662 2.728 -6.211 1.00 0.00 O ATOM 166 CB SER A 54 -21.195 3.665 -6.760 1.00 0.00 C ATOM 167 OG SER A 54 -21.808 2.731 -7.636 1.00 0.00 O ATOM 0 H SER A 54 -21.631 3.733 -3.548 1.00 0.00 H new ATOM 0 HA SER A 54 -21.645 2.248 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 54 -21.845 4.531 -6.632 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.266 4.026 -7.200 1.00 0.00 H new ATOM 0 HG SER A 54 -21.984 3.159 -8.500 1.00 0.00 H new ATOM 173 N GLY A 55 -19.301 1.445 -4.469 1.00 0.00 N ATOM 174 CA GLY A 55 -18.014 0.764 -4.377 1.00 0.00 C ATOM 175 C GLY A 55 -17.878 -0.380 -5.370 1.00 0.00 C ATOM 176 O GLY A 55 -18.424 -0.315 -6.471 1.00 0.00 O ATOM 0 H GLY A 55 -19.993 1.144 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.214 1.484 -4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.884 0.378 -3.366 1.00 0.00 H new ATOM 180 N PRO A 56 -17.141 -1.452 -5.009 1.00 0.00 N ATOM 181 CA PRO A 56 -16.937 -2.608 -5.884 1.00 0.00 C ATOM 182 C PRO A 56 -18.079 -3.638 -5.779 1.00 0.00 C ATOM 183 O PRO A 56 -19.183 -3.383 -6.258 1.00 0.00 O ATOM 184 CB PRO A 56 -15.603 -3.155 -5.376 1.00 0.00 C ATOM 185 CG PRO A 56 -15.620 -2.874 -3.910 1.00 0.00 C ATOM 186 CD PRO A 56 -16.440 -1.618 -3.718 1.00 0.00 C ATOM 0 HA PRO A 56 -16.929 -2.357 -6.945 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.510 -4.223 -5.575 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.761 -2.665 -5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.056 -3.709 -3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.607 -2.737 -3.530 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.143 -1.722 -2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.808 -0.759 -3.493 1.00 0.00 H new ATOM 194 N TYR A 57 -17.822 -4.794 -5.158 1.00 0.00 N ATOM 195 CA TYR A 57 -18.850 -5.829 -5.017 1.00 0.00 C ATOM 196 C TYR A 57 -19.412 -5.898 -3.593 1.00 0.00 C ATOM 197 O TYR A 57 -20.379 -6.615 -3.336 1.00 0.00 O ATOM 198 CB TYR A 57 -18.280 -7.194 -5.427 1.00 0.00 C ATOM 199 CG TYR A 57 -18.811 -7.712 -6.747 1.00 0.00 C ATOM 200 CD1 TYR A 57 -20.061 -8.314 -6.825 1.00 0.00 C ATOM 201 CD2 TYR A 57 -18.062 -7.604 -7.914 1.00 0.00 C ATOM 202 CE1 TYR A 57 -20.550 -8.794 -8.028 1.00 0.00 C ATOM 203 CE2 TYR A 57 -18.546 -8.082 -9.120 1.00 0.00 C ATOM 204 CZ TYR A 57 -19.788 -8.675 -9.170 1.00 0.00 C ATOM 205 OH TYR A 57 -20.272 -9.152 -10.365 1.00 0.00 O ATOM 0 H TYR A 57 -16.919 -5.035 -4.749 1.00 0.00 H new ATOM 0 HA TYR A 57 -19.675 -5.563 -5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -17.194 -7.119 -5.488 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -18.506 -7.920 -4.646 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.661 -8.409 -5.932 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -17.087 -7.140 -7.879 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -21.524 -9.259 -8.071 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -17.952 -7.990 -10.017 1.00 0.00 H new ATOM 0 HH TYR A 57 -19.614 -8.990 -11.073 1.00 0.00 H new ATOM 215 N THR A 58 -18.805 -5.149 -2.679 1.00 0.00 N ATOM 216 CA THR A 58 -19.239 -5.119 -1.275 1.00 0.00 C ATOM 217 C THR A 58 -18.411 -4.120 -0.472 1.00 0.00 C ATOM 218 O THR A 58 -18.947 -3.169 0.092 1.00 0.00 O ATOM 219 CB THR A 58 -19.125 -6.509 -0.624 1.00 0.00 C ATOM 220 OG1 THR A 58 -18.235 -7.341 -1.350 1.00 0.00 O ATOM 221 CG2 THR A 58 -20.447 -7.244 -0.511 1.00 0.00 C ATOM 0 H THR A 58 -18.005 -4.549 -2.881 1.00 0.00 H new ATOM 0 HA THR A 58 -20.284 -4.811 -1.268 1.00 0.00 H new ATOM 0 HB THR A 58 -18.753 -6.313 0.382 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.511 -8.277 -1.255 1.00 0.00 H new ATOM 0 HG21 THR A 58 -20.285 -8.215 -0.043 1.00 0.00 H new ATOM 0 HG22 THR A 58 -21.138 -6.659 0.096 1.00 0.00 H new ATOM 0 HG23 THR A 58 -20.870 -7.387 -1.505 1.00 0.00 H new ATOM 229 N TYR A 59 -17.099 -4.351 -0.422 1.00 0.00 N ATOM 230 CA TYR A 59 -16.192 -3.477 0.317 1.00 0.00 C ATOM 231 C TYR A 59 -14.758 -3.568 -0.223 1.00 0.00 C ATOM 232 O TYR A 59 -14.542 -4.001 -1.354 1.00 0.00 O ATOM 233 CB TYR A 59 -16.238 -3.833 1.805 1.00 0.00 C ATOM 234 CG TYR A 59 -16.740 -2.709 2.685 1.00 0.00 C ATOM 235 CD1 TYR A 59 -16.000 -1.545 2.855 1.00 0.00 C ATOM 236 CD2 TYR A 59 -17.954 -2.816 3.348 1.00 0.00 C ATOM 237 CE1 TYR A 59 -16.458 -0.521 3.663 1.00 0.00 C ATOM 238 CE2 TYR A 59 -18.417 -1.797 4.156 1.00 0.00 C ATOM 239 CZ TYR A 59 -17.665 -0.652 4.311 1.00 0.00 C ATOM 240 OH TYR A 59 -18.122 0.367 5.116 1.00 0.00 O ATOM 0 H TYR A 59 -16.642 -5.137 -0.885 1.00 0.00 H new ATOM 0 HA TYR A 59 -16.520 -2.446 0.185 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -16.880 -4.703 1.941 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -15.238 -4.120 2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -15.052 -1.439 2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -18.547 -3.711 3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.871 0.378 3.785 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -19.365 -1.896 4.665 1.00 0.00 H new ATOM 0 HH TYR A 59 -18.989 0.118 5.499 1.00 0.00 H new ATOM 250 N CYS A 60 -13.783 -3.143 0.588 1.00 0.00 N ATOM 251 CA CYS A 60 -12.372 -3.154 0.194 1.00 0.00 C ATOM 252 C CYS A 60 -12.110 -2.148 -0.922 1.00 0.00 C ATOM 253 O CYS A 60 -12.042 -2.505 -2.097 1.00 0.00 O ATOM 254 CB CYS A 60 -11.913 -4.548 -0.251 1.00 0.00 C ATOM 255 SG CYS A 60 -12.221 -5.871 0.968 1.00 0.00 S ATOM 0 H CYS A 60 -13.949 -2.785 1.528 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.796 -2.871 1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.420 -4.804 -1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.845 -4.513 -0.468 1.00 0.00 H new ATOM 260 N ASN A 61 -11.949 -0.888 -0.549 1.00 0.00 N ATOM 261 CA ASN A 61 -11.671 0.164 -1.521 1.00 0.00 C ATOM 262 C ASN A 61 -10.243 0.677 -1.331 1.00 0.00 C ATOM 263 O ASN A 61 -9.442 0.033 -0.645 1.00 0.00 O ATOM 264 CB ASN A 61 -12.697 1.302 -1.394 1.00 0.00 C ATOM 265 CG ASN A 61 -12.559 2.086 -0.105 1.00 0.00 C ATOM 266 OD1 ASN A 61 -11.659 2.908 0.037 1.00 0.00 O ATOM 267 ND2 ASN A 61 -13.451 1.831 0.840 1.00 0.00 N ATOM 0 H ASN A 61 -12.005 -0.567 0.417 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.759 -0.245 -2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.584 1.981 -2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.702 0.885 -1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.407 2.327 1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.182 1.139 0.678 1.00 0.00 H new ATOM 274 N THR A 62 -9.927 1.826 -1.931 1.00 0.00 N ATOM 275 CA THR A 62 -8.592 2.421 -1.810 1.00 0.00 C ATOM 276 C THR A 62 -8.093 2.336 -0.372 1.00 0.00 C ATOM 277 O THR A 62 -8.797 2.720 0.563 1.00 0.00 O ATOM 278 CB THR A 62 -8.610 3.884 -2.260 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.784 4.540 -1.810 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.549 4.045 -3.760 1.00 0.00 C ATOM 0 H THR A 62 -10.576 2.364 -2.506 1.00 0.00 H new ATOM 0 HA THR A 62 -7.916 1.859 -2.454 1.00 0.00 H new ATOM 0 HB THR A 62 -7.717 4.329 -1.820 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.216 3.999 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.565 5.105 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.630 3.596 -4.137 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.408 3.550 -4.214 1.00 0.00 H new ATOM 288 N THR A 63 -6.894 1.808 -0.194 1.00 0.00 N ATOM 289 CA THR A 63 -6.332 1.651 1.141 1.00 0.00 C ATOM 290 C THR A 63 -4.811 1.783 1.119 1.00 0.00 C ATOM 291 O THR A 63 -4.174 1.493 0.114 1.00 0.00 O ATOM 292 CB THR A 63 -6.771 0.291 1.697 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.985 0.421 2.415 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.764 -0.366 2.615 1.00 0.00 C ATOM 0 H THR A 63 -6.292 1.482 -0.950 1.00 0.00 H new ATOM 0 HA THR A 63 -6.703 2.444 1.791 1.00 0.00 H new ATOM 0 HB THR A 63 -6.882 -0.345 0.819 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.439 -0.447 2.449 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.157 -1.322 2.961 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.832 -0.531 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.577 0.281 3.472 1.00 0.00 H new ATOM 302 N LEU A 64 -4.231 2.226 2.231 1.00 0.00 N ATOM 303 CA LEU A 64 -2.781 2.393 2.319 1.00 0.00 C ATOM 304 C LEU A 64 -2.211 1.706 3.554 1.00 0.00 C ATOM 305 O LEU A 64 -2.940 1.371 4.489 1.00 0.00 O ATOM 306 CB LEU A 64 -2.413 3.873 2.340 1.00 0.00 C ATOM 307 CG LEU A 64 -1.209 4.257 1.481 1.00 0.00 C ATOM 308 CD1 LEU A 64 -1.646 5.124 0.312 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.168 4.982 2.318 1.00 0.00 C ATOM 0 H LEU A 64 -4.738 2.475 3.080 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.346 1.925 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.276 4.450 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.212 4.166 3.370 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.761 3.344 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.777 5.389 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.359 4.574 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.117 6.032 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.683 5.248 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.606 5.887 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.167 4.331 3.126 1.00 0.00 H new ATOM 321 N ASP A 65 -0.898 1.516 3.549 1.00 0.00 N ATOM 322 CA ASP A 65 -0.205 0.880 4.667 1.00 0.00 C ATOM 323 C ASP A 65 1.016 1.715 5.099 1.00 0.00 C ATOM 324 O ASP A 65 1.363 2.701 4.447 1.00 0.00 O ATOM 325 CB ASP A 65 0.168 -0.576 4.297 1.00 0.00 C ATOM 326 CG ASP A 65 1.546 -0.750 3.676 1.00 0.00 C ATOM 327 OD1 ASP A 65 2.062 0.202 3.068 1.00 0.00 O ATOM 328 OD2 ASP A 65 2.103 -1.860 3.781 1.00 0.00 O ATOM 0 H ASP A 65 -0.287 1.794 2.781 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.871 0.837 5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.112 -1.189 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.578 -0.961 3.602 1.00 0.00 H new ATOM 333 N GLN A 66 1.648 1.329 6.209 1.00 0.00 N ATOM 334 CA GLN A 66 2.812 2.061 6.736 1.00 0.00 C ATOM 335 C GLN A 66 3.933 2.213 5.699 1.00 0.00 C ATOM 336 O GLN A 66 4.583 3.256 5.629 1.00 0.00 O ATOM 337 CB GLN A 66 3.351 1.369 7.992 1.00 0.00 C ATOM 338 CG GLN A 66 3.855 2.345 9.046 1.00 0.00 C ATOM 339 CD GLN A 66 5.279 2.803 8.794 1.00 0.00 C ATOM 340 OE1 GLN A 66 6.170 1.994 8.547 1.00 0.00 O ATOM 341 NE2 GLN A 66 5.505 4.105 8.860 1.00 0.00 N ATOM 0 H GLN A 66 1.378 0.516 6.763 1.00 0.00 H new ATOM 0 HA GLN A 66 2.468 3.064 6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.564 0.752 8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.163 0.699 7.709 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.198 3.215 9.072 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.799 1.873 10.027 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.739 4.746 9.068 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.445 4.468 8.703 1.00 0.00 H new ATOM 350 N ILE A 67 4.155 1.172 4.903 1.00 0.00 N ATOM 351 CA ILE A 67 5.198 1.182 3.871 1.00 0.00 C ATOM 352 C ILE A 67 4.823 2.073 2.675 1.00 0.00 C ATOM 353 O ILE A 67 5.693 2.472 1.895 1.00 0.00 O ATOM 354 CB ILE A 67 5.480 -0.256 3.367 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.193 -1.069 4.446 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.310 -0.240 2.090 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.135 -2.562 4.207 1.00 0.00 C ATOM 0 H ILE A 67 3.624 0.302 4.950 1.00 0.00 H new ATOM 0 HA ILE A 67 6.094 1.594 4.335 1.00 0.00 H new ATOM 0 HB ILE A 67 4.522 -0.725 3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.236 -0.756 4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.746 -0.845 5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.491 -1.263 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.771 0.301 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.263 0.254 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.660 -3.080 5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.095 -2.887 4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.608 -2.796 3.253 1.00 0.00 H new ATOM 369 N GLY A 68 3.530 2.361 2.524 1.00 0.00 N ATOM 370 CA GLY A 68 3.057 3.178 1.412 1.00 0.00 C ATOM 371 C GLY A 68 2.349 2.352 0.345 1.00 0.00 C ATOM 372 O GLY A 68 2.191 2.796 -0.795 1.00 0.00 O ATOM 0 H GLY A 68 2.796 2.041 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.376 3.941 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.902 3.700 0.963 1.00 0.00 H new ATOM 376 N THR A 69 1.922 1.144 0.716 1.00 0.00 N ATOM 377 CA THR A 69 1.230 0.242 -0.202 1.00 0.00 C ATOM 378 C THR A 69 -0.191 0.727 -0.478 1.00 0.00 C ATOM 379 O THR A 69 -1.129 0.360 0.231 1.00 0.00 O ATOM 380 CB THR A 69 1.185 -1.180 0.376 1.00 0.00 C ATOM 381 OG1 THR A 69 2.486 -1.649 0.678 1.00 0.00 O ATOM 382 CG2 THR A 69 0.546 -2.187 -0.553 1.00 0.00 C ATOM 0 H THR A 69 2.046 0.766 1.655 1.00 0.00 H new ATOM 0 HA THR A 69 1.784 0.232 -1.141 1.00 0.00 H new ATOM 0 HB THR A 69 0.576 -1.097 1.276 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.430 -2.556 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.548 -3.170 -0.081 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.481 -1.887 -0.764 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.110 -2.231 -1.485 1.00 0.00 H new ATOM 390 N CYS A 70 -0.349 1.548 -1.512 1.00 0.00 N ATOM 391 CA CYS A 70 -1.669 2.064 -1.871 1.00 0.00 C ATOM 392 C CYS A 70 -2.486 0.988 -2.579 1.00 0.00 C ATOM 393 O CYS A 70 -2.400 0.826 -3.799 1.00 0.00 O ATOM 394 CB CYS A 70 -1.549 3.305 -2.762 1.00 0.00 C ATOM 395 SG CYS A 70 -3.145 4.105 -3.140 1.00 0.00 S ATOM 0 H CYS A 70 0.411 1.869 -2.112 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.181 2.350 -0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.898 4.029 -2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.065 3.023 -3.697 1.00 0.00 H new ATOM 400 N TRP A 71 -3.284 0.266 -1.798 1.00 0.00 N ATOM 401 CA TRP A 71 -4.139 -0.793 -2.318 1.00 0.00 C ATOM 402 C TRP A 71 -5.275 -0.174 -3.148 1.00 0.00 C ATOM 403 O TRP A 71 -6.133 0.537 -2.614 1.00 0.00 O ATOM 404 CB TRP A 71 -4.683 -1.633 -1.155 1.00 0.00 C ATOM 405 CG TRP A 71 -3.610 -2.380 -0.400 1.00 0.00 C ATOM 406 CD1 TRP A 71 -3.097 -2.076 0.835 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.914 -3.556 -0.836 1.00 0.00 C ATOM 408 NE1 TRP A 71 -2.137 -2.993 1.188 1.00 0.00 N ATOM 409 CE2 TRP A 71 -2.006 -3.908 0.181 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.971 -4.348 -1.985 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -1.165 -5.012 0.082 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -2.136 -5.445 -2.081 1.00 0.00 C ATOM 413 CH2 TRP A 71 -1.244 -5.768 -1.052 1.00 0.00 C ATOM 0 H TRP A 71 -3.355 0.399 -0.789 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.565 -1.452 -2.969 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.216 -0.980 -0.463 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.409 -2.348 -1.542 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.403 -1.237 1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -1.608 -2.991 2.060 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.656 -4.107 -2.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -0.474 -5.262 0.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.172 -6.064 -2.965 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.605 -6.633 -1.157 1.00 0.00 H new ATOM 424 N PRO A 72 -5.261 -0.397 -4.480 1.00 0.00 N ATOM 425 CA PRO A 72 -6.254 0.183 -5.403 1.00 0.00 C ATOM 426 C PRO A 72 -7.623 -0.516 -5.423 1.00 0.00 C ATOM 427 O PRO A 72 -8.085 -0.955 -6.478 1.00 0.00 O ATOM 428 CB PRO A 72 -5.560 0.049 -6.760 1.00 0.00 C ATOM 429 CG PRO A 72 -4.713 -1.169 -6.627 1.00 0.00 C ATOM 430 CD PRO A 72 -4.241 -1.191 -5.199 1.00 0.00 C ATOM 0 HA PRO A 72 -6.511 1.200 -5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.284 -0.058 -7.567 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.957 0.929 -6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.282 -2.068 -6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.869 -1.135 -7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.180 -2.209 -4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.248 -0.752 -5.099 1.00 0.00 H new ATOM 438 N GLN A 73 -8.290 -0.574 -4.265 1.00 0.00 N ATOM 439 CA GLN A 73 -9.628 -1.179 -4.172 1.00 0.00 C ATOM 440 C GLN A 73 -9.602 -2.701 -4.372 1.00 0.00 C ATOM 441 O GLN A 73 -8.619 -3.263 -4.856 1.00 0.00 O ATOM 442 CB GLN A 73 -10.556 -0.535 -5.211 1.00 0.00 C ATOM 443 CG GLN A 73 -12.001 -0.398 -4.756 1.00 0.00 C ATOM 444 CD GLN A 73 -12.987 -0.550 -5.895 1.00 0.00 C ATOM 445 OE1 GLN A 73 -13.039 -1.588 -6.548 1.00 0.00 O ATOM 446 NE2 GLN A 73 -13.772 0.487 -6.144 1.00 0.00 N ATOM 0 H GLN A 73 -7.930 -0.212 -3.382 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.000 -0.993 -3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.171 0.453 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.529 -1.130 -6.124 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.211 -1.150 -3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.140 0.576 -4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.697 1.332 -5.577 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.452 0.441 -6.903 1.00 0.00 H new ATOM 455 N SER A 74 -10.696 -3.359 -3.982 1.00 0.00 N ATOM 456 CA SER A 74 -10.828 -4.814 -4.100 1.00 0.00 C ATOM 457 C SER A 74 -12.201 -5.279 -3.584 1.00 0.00 C ATOM 458 O SER A 74 -13.229 -4.709 -3.952 1.00 0.00 O ATOM 459 CB SER A 74 -9.677 -5.509 -3.357 1.00 0.00 C ATOM 460 OG SER A 74 -9.913 -5.574 -1.962 1.00 0.00 O ATOM 0 H SER A 74 -11.513 -2.901 -3.577 1.00 0.00 H new ATOM 0 HA SER A 74 -10.766 -5.092 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.547 -6.517 -3.751 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.747 -4.971 -3.543 1.00 0.00 H new ATOM 0 HG SER A 74 -9.172 -5.145 -1.485 1.00 0.00 H new ATOM 466 N ALA A 75 -12.213 -6.301 -2.730 1.00 0.00 N ATOM 467 CA ALA A 75 -13.450 -6.832 -2.154 1.00 0.00 C ATOM 468 C ALA A 75 -13.165 -8.038 -1.248 1.00 0.00 C ATOM 469 O ALA A 75 -12.056 -8.578 -1.250 1.00 0.00 O ATOM 470 CB ALA A 75 -14.436 -7.201 -3.256 1.00 0.00 C ATOM 0 H ALA A 75 -11.370 -6.783 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.899 -6.053 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.350 -7.594 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.672 -6.315 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -13.993 -7.959 -3.902 1.00 0.00 H new ATOM 476 N PRO A 76 -14.163 -8.474 -0.455 1.00 0.00 N ATOM 477 CA PRO A 76 -14.008 -9.620 0.455 1.00 0.00 C ATOM 478 C PRO A 76 -13.611 -10.902 -0.280 1.00 0.00 C ATOM 479 O PRO A 76 -14.075 -11.161 -1.392 1.00 0.00 O ATOM 480 CB PRO A 76 -15.393 -9.773 1.099 1.00 0.00 C ATOM 481 CG PRO A 76 -16.324 -9.003 0.228 1.00 0.00 C ATOM 482 CD PRO A 76 -15.513 -7.894 -0.376 1.00 0.00 C ATOM 0 HA PRO A 76 -13.211 -9.451 1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.686 -10.821 1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.397 -9.385 2.118 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.749 -9.641 -0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.158 -8.605 0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.888 -7.610 -1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.531 -6.997 0.244 1.00 0.00 H new ATOM 490 N GLY A 77 -12.744 -11.698 0.350 1.00 0.00 N ATOM 491 CA GLY A 77 -12.286 -12.944 -0.255 1.00 0.00 C ATOM 492 C GLY A 77 -11.509 -12.736 -1.549 1.00 0.00 C ATOM 493 O GLY A 77 -11.528 -13.598 -2.429 1.00 0.00 O ATOM 0 H GLY A 77 -12.350 -11.502 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.655 -13.476 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.148 -13.581 -0.455 1.00 0.00 H new ATOM 497 N ALA A 78 -10.831 -11.595 -1.669 1.00 0.00 N ATOM 498 CA ALA A 78 -10.053 -11.283 -2.868 1.00 0.00 C ATOM 499 C ALA A 78 -8.558 -11.227 -2.566 1.00 0.00 C ATOM 500 O ALA A 78 -8.123 -10.491 -1.674 1.00 0.00 O ATOM 501 CB ALA A 78 -10.513 -9.959 -3.463 1.00 0.00 C ATOM 0 H ALA A 78 -10.805 -10.871 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.221 -12.082 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.927 -9.738 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.568 -10.027 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.374 -9.163 -2.731 1.00 0.00 H new ATOM 507 N LEU A 79 -7.775 -11.994 -3.322 1.00 0.00 N ATOM 508 CA LEU A 79 -6.328 -12.015 -3.143 1.00 0.00 C ATOM 509 C LEU A 79 -5.685 -10.855 -3.889 1.00 0.00 C ATOM 510 O LEU A 79 -5.318 -10.974 -5.056 1.00 0.00 O ATOM 511 CB LEU A 79 -5.745 -13.351 -3.618 1.00 0.00 C ATOM 512 CG LEU A 79 -4.273 -13.577 -3.266 1.00 0.00 C ATOM 513 CD1 LEU A 79 -4.097 -14.891 -2.523 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.417 -13.557 -4.522 1.00 0.00 C ATOM 0 H LEU A 79 -8.118 -12.607 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.110 -11.906 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.334 -14.161 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.858 -13.415 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.947 -12.767 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.044 -15.034 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.681 -14.870 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.440 -15.713 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.373 -13.719 -4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.745 -14.347 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.519 -12.591 -5.016 1.00 0.00 H new ATOM 526 N VAL A 80 -5.557 -9.733 -3.199 1.00 0.00 N ATOM 527 CA VAL A 80 -4.963 -8.541 -3.779 1.00 0.00 C ATOM 528 C VAL A 80 -3.448 -8.563 -3.594 1.00 0.00 C ATOM 529 O VAL A 80 -2.940 -8.374 -2.486 1.00 0.00 O ATOM 530 CB VAL A 80 -5.564 -7.265 -3.159 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.989 -6.024 -3.814 1.00 0.00 C ATOM 532 CG2 VAL A 80 -7.075 -7.281 -3.289 1.00 0.00 C ATOM 0 H VAL A 80 -5.859 -9.624 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.187 -8.533 -4.846 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.303 -7.242 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.428 -5.136 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.908 -6.006 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.217 -6.037 -4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.488 -6.374 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.349 -7.328 -4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.476 -8.152 -2.770 1.00 0.00 H new ATOM 542 N GLU A 81 -2.739 -8.828 -4.684 1.00 0.00 N ATOM 543 CA GLU A 81 -1.280 -8.916 -4.653 1.00 0.00 C ATOM 544 C GLU A 81 -0.605 -7.552 -4.832 1.00 0.00 C ATOM 545 O GLU A 81 -1.200 -6.594 -5.342 1.00 0.00 O ATOM 546 CB GLU A 81 -0.783 -9.901 -5.720 1.00 0.00 C ATOM 547 CG GLU A 81 -1.166 -9.524 -7.146 1.00 0.00 C ATOM 548 CD GLU A 81 -2.521 -10.067 -7.552 1.00 0.00 C ATOM 549 OE1 GLU A 81 -3.537 -9.417 -7.226 1.00 0.00 O ATOM 550 OE2 GLU A 81 -2.564 -11.138 -8.190 1.00 0.00 O ATOM 0 H GLU A 81 -3.150 -8.987 -5.604 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.003 -9.282 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.303 -9.973 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.182 -10.891 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.171 -8.438 -7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.408 -9.901 -7.833 1.00 0.00 H new ATOM 557 N ARG A 82 0.649 -7.480 -4.393 1.00 0.00 N ATOM 558 CA ARG A 82 1.434 -6.253 -4.482 1.00 0.00 C ATOM 559 C ARG A 82 2.935 -6.563 -4.494 1.00 0.00 C ATOM 560 O ARG A 82 3.410 -7.392 -3.714 1.00 0.00 O ATOM 561 CB ARG A 82 1.100 -5.339 -3.298 1.00 0.00 C ATOM 562 CG ARG A 82 1.314 -3.859 -3.575 1.00 0.00 C ATOM 563 CD ARG A 82 0.010 -3.167 -3.943 1.00 0.00 C ATOM 564 NE ARG A 82 -0.548 -3.689 -5.196 1.00 0.00 N ATOM 565 CZ ARG A 82 -0.493 -3.062 -6.367 1.00 0.00 C ATOM 566 NH1 ARG A 82 0.092 -1.882 -6.482 1.00 0.00 N ATOM 567 NH2 ARG A 82 -1.025 -3.625 -7.433 1.00 0.00 N ATOM 0 H ARG A 82 1.146 -8.264 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 82 1.182 -5.748 -5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.060 -5.497 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.712 -5.630 -2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.745 -3.382 -2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.032 -3.740 -4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.713 -3.302 -3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.182 -2.095 -4.040 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.011 -4.597 -5.166 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.510 -1.438 -5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.125 -1.415 -7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.476 -4.537 -7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.986 -3.149 -8.334 1.00 0.00 H new ATOM 581 N PRO A 83 3.710 -5.902 -5.375 1.00 0.00 N ATOM 582 CA PRO A 83 5.161 -6.116 -5.455 1.00 0.00 C ATOM 583 C PRO A 83 5.868 -5.624 -4.188 1.00 0.00 C ATOM 584 O PRO A 83 5.534 -4.562 -3.659 1.00 0.00 O ATOM 585 CB PRO A 83 5.577 -5.285 -6.674 1.00 0.00 C ATOM 586 CG PRO A 83 4.523 -4.240 -6.796 1.00 0.00 C ATOM 587 CD PRO A 83 3.246 -4.895 -6.351 1.00 0.00 C ATOM 0 HA PRO A 83 5.427 -7.169 -5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.562 -4.840 -6.532 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.631 -5.900 -7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.756 -3.375 -6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.443 -3.883 -7.823 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.562 -4.178 -5.897 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.717 -5.356 -7.185 1.00 0.00 H new ATOM 595 N CYS A 84 6.834 -6.404 -3.696 1.00 0.00 N ATOM 596 CA CYS A 84 7.570 -6.037 -2.480 1.00 0.00 C ATOM 597 C CYS A 84 8.480 -4.835 -2.723 1.00 0.00 C ATOM 598 O CYS A 84 9.487 -4.947 -3.428 1.00 0.00 O ATOM 599 CB CYS A 84 8.411 -7.210 -1.972 1.00 0.00 C ATOM 600 SG CYS A 84 7.456 -8.719 -1.617 1.00 0.00 S ATOM 0 H CYS A 84 7.124 -7.287 -4.116 1.00 0.00 H new ATOM 0 HA CYS A 84 6.829 -5.773 -1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.174 -7.443 -2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 84 8.932 -6.902 -1.065 1.00 0.00 H new ATOM 605 N PRO A 85 8.149 -3.666 -2.133 1.00 0.00 N ATOM 606 CA PRO A 85 8.953 -2.447 -2.288 1.00 0.00 C ATOM 607 C PRO A 85 10.338 -2.582 -1.653 1.00 0.00 C ATOM 608 O PRO A 85 10.637 -1.972 -0.627 1.00 0.00 O ATOM 609 CB PRO A 85 8.125 -1.371 -1.581 1.00 0.00 C ATOM 610 CG PRO A 85 7.275 -2.119 -0.614 1.00 0.00 C ATOM 611 CD PRO A 85 6.975 -3.441 -1.264 1.00 0.00 C ATOM 0 HA PRO A 85 9.148 -2.217 -3.336 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.765 -0.651 -1.071 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.517 -0.810 -2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.794 -2.259 0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.357 -1.573 -0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.862 -4.236 -0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.050 -3.406 -1.839 1.00 0.00 H new ATOM 619 N GLU A 86 11.178 -3.397 -2.280 1.00 0.00 N ATOM 620 CA GLU A 86 12.537 -3.632 -1.802 1.00 0.00 C ATOM 621 C GLU A 86 13.472 -2.504 -2.231 1.00 0.00 C ATOM 622 O GLU A 86 14.521 -2.282 -1.621 1.00 0.00 O ATOM 623 CB GLU A 86 13.047 -4.968 -2.342 1.00 0.00 C ATOM 624 CG GLU A 86 14.417 -5.360 -1.813 1.00 0.00 C ATOM 625 CD GLU A 86 14.454 -5.489 -0.313 1.00 0.00 C ATOM 626 OE1 GLU A 86 14.665 -4.470 0.371 1.00 0.00 O ATOM 627 OE2 GLU A 86 14.252 -6.616 0.175 1.00 0.00 O ATOM 0 H GLU A 86 10.940 -3.911 -3.128 1.00 0.00 H new ATOM 0 HA GLU A 86 12.520 -3.661 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.332 -5.750 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.089 -4.918 -3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.716 -6.308 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.148 -4.615 -2.126 1.00 0.00 H new ATOM 634 N TYR A 87 13.088 -1.789 -3.284 1.00 0.00 N ATOM 635 CA TYR A 87 13.896 -0.691 -3.800 1.00 0.00 C ATOM 636 C TYR A 87 13.801 0.549 -2.902 1.00 0.00 C ATOM 637 O TYR A 87 13.569 1.659 -3.378 1.00 0.00 O ATOM 638 CB TYR A 87 13.469 -0.364 -5.236 1.00 0.00 C ATOM 639 CG TYR A 87 13.367 -1.578 -6.143 1.00 0.00 C ATOM 640 CD1 TYR A 87 14.000 -2.777 -5.822 1.00 0.00 C ATOM 641 CD2 TYR A 87 12.639 -1.521 -7.325 1.00 0.00 C ATOM 642 CE1 TYR A 87 13.907 -3.877 -6.652 1.00 0.00 C ATOM 643 CE2 TYR A 87 12.542 -2.621 -8.158 1.00 0.00 C ATOM 644 CZ TYR A 87 13.178 -3.794 -7.816 1.00 0.00 C ATOM 645 OH TYR A 87 13.085 -4.889 -8.640 1.00 0.00 O ATOM 0 H TYR A 87 12.221 -1.951 -3.797 1.00 0.00 H new ATOM 0 HA TYR A 87 14.940 -1.004 -3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 87 12.503 0.140 -5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.184 0.338 -5.665 1.00 0.00 H new ATOM 0 HD1 TYR A 87 14.573 -2.847 -4.909 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.141 -0.603 -7.598 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.405 -4.799 -6.388 1.00 0.00 H new ATOM 0 HE2 TYR A 87 11.970 -2.560 -9.072 1.00 0.00 H new ATOM 0 HH TYR A 87 12.534 -4.666 -9.419 1.00 0.00 H new ATOM 655 N PHE A 88 14.014 0.352 -1.599 1.00 0.00 N ATOM 656 CA PHE A 88 13.982 1.447 -0.631 1.00 0.00 C ATOM 657 C PHE A 88 15.384 2.052 -0.455 1.00 0.00 C ATOM 658 O PHE A 88 15.666 2.717 0.543 1.00 0.00 O ATOM 659 CB PHE A 88 13.448 0.936 0.716 1.00 0.00 C ATOM 660 CG PHE A 88 12.026 1.336 1.004 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.626 2.655 0.876 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.091 0.391 1.409 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.322 3.029 1.143 1.00 0.00 C ATOM 664 CE2 PHE A 88 9.786 0.761 1.676 1.00 0.00 C ATOM 665 CZ PHE A 88 9.401 2.081 1.543 1.00 0.00 C ATOM 0 H PHE A 88 14.211 -0.561 -1.190 1.00 0.00 H new ATOM 0 HA PHE A 88 13.318 2.227 -1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.519 -0.152 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.088 1.311 1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.341 3.401 0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.387 -0.642 1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.024 4.062 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.067 0.018 1.989 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.382 2.371 1.751 1.00 0.00 H new ATOM 675 N ASN A 89 16.259 1.805 -1.436 1.00 0.00 N ATOM 676 CA ASN A 89 17.633 2.303 -1.413 1.00 0.00 C ATOM 677 C ASN A 89 18.372 1.901 -2.693 1.00 0.00 C ATOM 678 O ASN A 89 18.963 2.739 -3.371 1.00 0.00 O ATOM 679 CB ASN A 89 18.373 1.754 -0.187 1.00 0.00 C ATOM 680 CG ASN A 89 18.965 2.851 0.670 1.00 0.00 C ATOM 681 OD1 ASN A 89 19.732 3.681 0.192 1.00 0.00 O ATOM 682 ND2 ASN A 89 18.612 2.862 1.946 1.00 0.00 N ATOM 0 H ASN A 89 16.033 1.255 -2.265 1.00 0.00 H new ATOM 0 HA ASN A 89 17.605 3.391 -1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.684 1.160 0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.168 1.085 -0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 89 18.981 3.579 2.571 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.971 2.154 2.304 1.00 0.00 H new ATOM 689 N GLY A 90 18.325 0.607 -3.013 1.00 0.00 N ATOM 690 CA GLY A 90 18.988 0.097 -4.210 1.00 0.00 C ATOM 691 C GLY A 90 19.384 -1.361 -4.076 1.00 0.00 C ATOM 692 O GLY A 90 20.525 -1.728 -4.361 1.00 0.00 O ATOM 0 H GLY A 90 17.838 -0.101 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.324 0.213 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.877 0.695 -4.412 1.00 0.00 H new ATOM 696 N ILE A 91 18.442 -2.193 -3.633 1.00 0.00 N ATOM 697 CA ILE A 91 18.698 -3.621 -3.449 1.00 0.00 C ATOM 698 C ILE A 91 17.657 -4.467 -4.181 1.00 0.00 C ATOM 699 O ILE A 91 16.588 -3.974 -4.553 1.00 0.00 O ATOM 700 CB ILE A 91 18.707 -4.018 -1.951 1.00 0.00 C ATOM 701 CG1 ILE A 91 19.081 -2.824 -1.063 1.00 0.00 C ATOM 702 CG2 ILE A 91 19.668 -5.175 -1.712 1.00 0.00 C ATOM 703 CD1 ILE A 91 20.525 -2.388 -1.198 1.00 0.00 C ATOM 0 H ILE A 91 17.494 -1.902 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 91 19.685 -3.814 -3.869 1.00 0.00 H new ATOM 0 HB ILE A 91 17.700 -4.336 -1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.433 -1.983 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 91 18.885 -3.082 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.662 -5.441 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 91 19.356 -6.035 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.675 -4.878 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 91 20.712 -1.540 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 91 21.182 -3.213 -0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.722 -2.097 -2.230 1.00 0.00 H new ATOM 715 N LYS A 92 17.980 -5.745 -4.380 1.00 0.00 N ATOM 716 CA LYS A 92 17.095 -6.683 -5.065 1.00 0.00 C ATOM 717 C LYS A 92 17.123 -6.471 -6.574 1.00 0.00 C ATOM 718 O LYS A 92 17.111 -5.342 -7.065 1.00 0.00 O ATOM 719 CB LYS A 92 15.676 -6.567 -4.535 1.00 0.00 C ATOM 720 CG LYS A 92 15.031 -7.901 -4.226 1.00 0.00 C ATOM 721 CD LYS A 92 13.552 -7.869 -4.535 1.00 0.00 C ATOM 722 CE LYS A 92 12.717 -7.912 -3.267 1.00 0.00 C ATOM 723 NZ LYS A 92 12.244 -9.289 -2.956 1.00 0.00 N ATOM 0 H LYS A 92 18.861 -6.157 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 92 17.459 -7.690 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.684 -5.959 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.066 -6.039 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.512 -8.686 -4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.182 -8.148 -3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 92 13.316 -6.965 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 92 13.294 -8.716 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.307 -7.534 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.858 -7.250 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.439 -9.240 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.946 -9.760 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.016 -9.831 -2.517 1.00 0.00 H new ATOM 737 N TYR A 93 17.187 -7.581 -7.296 1.00 0.00 N ATOM 738 CA TYR A 93 17.255 -7.564 -8.754 1.00 0.00 C ATOM 739 C TYR A 93 16.575 -8.810 -9.338 1.00 0.00 C ATOM 740 O TYR A 93 17.136 -9.504 -10.187 1.00 0.00 O ATOM 741 CB TYR A 93 18.732 -7.487 -9.186 1.00 0.00 C ATOM 742 CG TYR A 93 19.611 -6.735 -8.198 1.00 0.00 C ATOM 743 CD1 TYR A 93 19.954 -7.299 -6.971 1.00 0.00 C ATOM 744 CD2 TYR A 93 20.072 -5.457 -8.481 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.726 -6.608 -6.056 1.00 0.00 C ATOM 746 CE2 TYR A 93 20.852 -4.763 -7.574 1.00 0.00 C ATOM 747 CZ TYR A 93 21.173 -5.342 -6.364 1.00 0.00 C ATOM 748 OH TYR A 93 21.938 -4.648 -5.454 1.00 0.00 O ATOM 0 H TYR A 93 17.193 -8.517 -6.891 1.00 0.00 H new ATOM 0 HA TYR A 93 16.726 -6.691 -9.136 1.00 0.00 H new ATOM 0 HB2 TYR A 93 19.120 -8.498 -9.310 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.793 -7.000 -10.159 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.610 -8.294 -6.730 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.818 -4.997 -9.424 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.977 -7.057 -5.107 1.00 0.00 H new ATOM 0 HE2 TYR A 93 21.208 -3.772 -7.812 1.00 0.00 H new ATOM 0 HH TYR A 93 22.364 -3.886 -5.899 1.00 0.00 H new ATOM 758 N ASN A 94 15.360 -9.087 -8.862 1.00 0.00 N ATOM 759 CA ASN A 94 14.591 -10.248 -9.317 1.00 0.00 C ATOM 760 C ASN A 94 13.094 -10.049 -9.066 1.00 0.00 C ATOM 761 O ASN A 94 12.292 -10.113 -9.996 1.00 0.00 O ATOM 762 CB ASN A 94 15.081 -11.517 -8.600 1.00 0.00 C ATOM 763 CG ASN A 94 14.632 -12.799 -9.278 1.00 0.00 C ATOM 764 OD1 ASN A 94 13.637 -12.824 -9.997 1.00 0.00 O ATOM 765 ND2 ASN A 94 15.365 -13.878 -9.045 1.00 0.00 N ATOM 0 H ASN A 94 14.885 -8.521 -8.159 1.00 0.00 H new ATOM 0 HA ASN A 94 14.744 -10.359 -10.390 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.170 -11.501 -8.552 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.716 -11.510 -7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.109 -14.770 -9.469 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.185 -13.817 -8.442 1.00 0.00 H new ATOM 772 N THR A 95 12.735 -9.805 -7.800 1.00 0.00 N ATOM 773 CA THR A 95 11.343 -9.592 -7.396 1.00 0.00 C ATOM 774 C THR A 95 10.385 -10.535 -8.134 1.00 0.00 C ATOM 775 O THR A 95 9.408 -10.093 -8.741 1.00 0.00 O ATOM 776 CB THR A 95 10.938 -8.131 -7.620 1.00 0.00 C ATOM 777 OG1 THR A 95 10.927 -7.808 -9.000 1.00 0.00 O ATOM 778 CG2 THR A 95 11.843 -7.135 -6.921 1.00 0.00 C ATOM 0 H THR A 95 13.401 -9.750 -7.029 1.00 0.00 H new ATOM 0 HA THR A 95 11.271 -9.819 -6.332 1.00 0.00 H new ATOM 0 HB THR A 95 9.939 -8.051 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.330 -8.423 -9.475 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.495 -6.122 -7.125 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.823 -7.317 -5.846 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.863 -7.249 -7.289 1.00 0.00 H new ATOM 786 N THR A 96 10.674 -11.834 -8.067 1.00 0.00 N ATOM 787 CA THR A 96 9.839 -12.849 -8.724 1.00 0.00 C ATOM 788 C THR A 96 8.592 -13.183 -7.894 1.00 0.00 C ATOM 789 O THR A 96 7.629 -13.747 -8.409 1.00 0.00 O ATOM 790 CB THR A 96 10.657 -14.119 -8.993 1.00 0.00 C ATOM 791 OG1 THR A 96 9.979 -14.970 -9.897 1.00 0.00 O ATOM 792 CG2 THR A 96 10.951 -14.929 -7.749 1.00 0.00 C ATOM 0 H THR A 96 11.478 -12.212 -7.566 1.00 0.00 H new ATOM 0 HA THR A 96 9.501 -12.435 -9.674 1.00 0.00 H new ATOM 0 HB THR A 96 11.601 -13.762 -9.406 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.015 -14.801 -9.845 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.532 -15.811 -8.018 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.519 -14.321 -7.045 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.014 -15.239 -7.287 1.00 0.00 H new ATOM 800 N ARG A 97 8.611 -12.824 -6.605 1.00 0.00 N ATOM 801 CA ARG A 97 7.482 -13.079 -5.715 1.00 0.00 C ATOM 802 C ARG A 97 6.641 -11.814 -5.515 1.00 0.00 C ATOM 803 O ARG A 97 7.052 -10.714 -5.890 1.00 0.00 O ATOM 804 CB ARG A 97 7.977 -13.596 -4.362 1.00 0.00 C ATOM 805 CG ARG A 97 8.689 -14.936 -4.446 1.00 0.00 C ATOM 806 CD ARG A 97 9.916 -14.973 -3.553 1.00 0.00 C ATOM 807 NE ARG A 97 10.396 -16.341 -3.347 1.00 0.00 N ATOM 808 CZ ARG A 97 9.976 -17.149 -2.377 1.00 0.00 C ATOM 809 NH1 ARG A 97 9.026 -16.762 -1.548 1.00 0.00 N ATOM 810 NH2 ARG A 97 10.492 -18.354 -2.256 1.00 0.00 N ATOM 0 H ARG A 97 9.399 -12.355 -6.158 1.00 0.00 H new ATOM 0 HA ARG A 97 6.854 -13.839 -6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.654 -12.861 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.128 -13.687 -3.685 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.003 -15.732 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.983 -15.129 -5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.709 -14.373 -3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.678 -14.522 -2.590 1.00 0.00 H new ATOM 0 HE ARG A 97 11.101 -16.699 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.608 -15.837 -1.648 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.710 -17.388 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.213 -18.668 -2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.171 -18.974 -1.513 1.00 0.00 H new ATOM 824 N ASN A 98 5.464 -11.983 -4.922 1.00 0.00 N ATOM 825 CA ASN A 98 4.554 -10.863 -4.672 1.00 0.00 C ATOM 826 C ASN A 98 3.992 -10.896 -3.247 1.00 0.00 C ATOM 827 O ASN A 98 3.993 -11.939 -2.590 1.00 0.00 O ATOM 828 CB ASN A 98 3.402 -10.888 -5.686 1.00 0.00 C ATOM 829 CG ASN A 98 2.492 -12.090 -5.508 1.00 0.00 C ATOM 830 OD1 ASN A 98 1.448 -11.932 -4.708 1.00 0.00 O flip ATOM 831 ND2 ASN A 98 2.731 -13.151 -6.078 1.00 0.00 N flip ATOM 0 H ASN A 98 5.114 -12.887 -4.603 1.00 0.00 H new ATOM 0 HA ASN A 98 5.124 -9.941 -4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.815 -9.975 -5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.812 -10.894 -6.696 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.546 -13.231 -6.686 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.115 -13.952 -5.943 1.00 0.00 H new ATOM 838 N ALA A 99 3.501 -9.747 -2.784 1.00 0.00 N ATOM 839 CA ALA A 99 2.920 -9.636 -1.448 1.00 0.00 C ATOM 840 C ALA A 99 1.444 -10.037 -1.461 1.00 0.00 C ATOM 841 O ALA A 99 0.586 -9.276 -1.914 1.00 0.00 O ATOM 842 CB ALA A 99 3.087 -8.217 -0.920 1.00 0.00 C ATOM 0 H ALA A 99 3.494 -8.877 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 99 3.448 -10.320 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.650 -8.146 0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.147 -7.970 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.583 -7.519 -1.588 1.00 0.00 H new ATOM 848 N TYR A 100 1.157 -11.240 -0.970 1.00 0.00 N ATOM 849 CA TYR A 100 -0.214 -11.755 -0.929 1.00 0.00 C ATOM 850 C TYR A 100 -1.023 -11.072 0.177 1.00 0.00 C ATOM 851 O TYR A 100 -0.686 -11.170 1.362 1.00 0.00 O ATOM 852 CB TYR A 100 -0.205 -13.274 -0.725 1.00 0.00 C ATOM 853 CG TYR A 100 0.336 -14.047 -1.911 1.00 0.00 C ATOM 854 CD1 TYR A 100 1.693 -14.040 -2.212 1.00 0.00 C ATOM 855 CD2 TYR A 100 -0.511 -14.784 -2.731 1.00 0.00 C ATOM 856 CE1 TYR A 100 2.187 -14.741 -3.294 1.00 0.00 C ATOM 857 CE2 TYR A 100 -0.021 -15.489 -3.814 1.00 0.00 C ATOM 858 CZ TYR A 100 1.328 -15.463 -4.090 1.00 0.00 C ATOM 859 OH TYR A 100 1.820 -16.161 -5.167 1.00 0.00 O ATOM 0 H TYR A 100 1.856 -11.880 -0.593 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.691 -11.532 -1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.394 -13.510 0.154 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.221 -13.609 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.372 -13.477 -1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.570 -14.806 -2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.244 -14.723 -3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.692 -16.057 -4.441 1.00 0.00 H new ATOM 0 HH TYR A 100 1.084 -16.618 -5.625 1.00 0.00 H new ATOM 869 N ARG A 101 -2.082 -10.370 -0.223 1.00 0.00 N ATOM 870 CA ARG A 101 -2.936 -9.651 0.720 1.00 0.00 C ATOM 871 C ARG A 101 -4.424 -9.871 0.397 1.00 0.00 C ATOM 872 O ARG A 101 -4.988 -9.198 -0.466 1.00 0.00 O ATOM 873 CB ARG A 101 -2.587 -8.160 0.671 1.00 0.00 C ATOM 874 CG ARG A 101 -1.834 -7.653 1.897 1.00 0.00 C ATOM 875 CD ARG A 101 -2.589 -6.524 2.585 1.00 0.00 C ATOM 876 NE ARG A 101 -4.034 -6.688 2.430 1.00 0.00 N ATOM 877 CZ ARG A 101 -4.729 -7.660 3.006 1.00 0.00 C ATOM 878 NH1 ARG A 101 -4.173 -8.422 3.931 1.00 0.00 N ATOM 879 NH2 ARG A 101 -5.986 -7.864 2.673 1.00 0.00 N ATOM 0 H ARG A 101 -2.370 -10.284 -1.198 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.760 -10.034 1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.984 -7.969 -0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.507 -7.586 0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.684 -8.473 2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.845 -7.303 1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.333 -6.504 3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.281 -5.567 2.164 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.535 -6.018 1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.204 -8.265 4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.713 -9.168 4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -6.429 -7.273 1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -6.517 -8.613 3.119 1.00 0.00 H new ATOM 893 N GLU A 102 -5.050 -10.824 1.089 1.00 0.00 N ATOM 894 CA GLU A 102 -6.463 -11.145 0.866 1.00 0.00 C ATOM 895 C GLU A 102 -7.394 -10.321 1.762 1.00 0.00 C ATOM 896 O GLU A 102 -7.061 -10.021 2.915 1.00 0.00 O ATOM 897 CB GLU A 102 -6.697 -12.631 1.117 1.00 0.00 C ATOM 898 CG GLU A 102 -6.874 -13.441 -0.157 1.00 0.00 C ATOM 899 CD GLU A 102 -6.855 -14.932 0.092 1.00 0.00 C ATOM 900 OE1 GLU A 102 -5.777 -15.461 0.441 1.00 0.00 O ATOM 901 OE2 GLU A 102 -7.914 -15.571 -0.065 1.00 0.00 O ATOM 0 H GLU A 102 -4.601 -11.389 1.810 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.696 -10.895 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.855 -13.033 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.583 -12.751 1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.818 -13.168 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.081 -13.184 -0.859 1.00 0.00 H new ATOM 908 N CYS A 103 -8.566 -9.962 1.232 1.00 0.00 N ATOM 909 CA CYS A 103 -9.549 -9.179 1.993 1.00 0.00 C ATOM 910 C CYS A 103 -10.454 -10.094 2.826 1.00 0.00 C ATOM 911 O CYS A 103 -10.734 -11.226 2.431 1.00 0.00 O ATOM 912 CB CYS A 103 -10.398 -8.312 1.054 1.00 0.00 C ATOM 913 SG CYS A 103 -10.360 -6.532 1.450 1.00 0.00 S ATOM 0 H CYS A 103 -8.859 -10.198 0.284 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.000 -8.526 2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.049 -8.454 0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.430 -8.660 1.090 1.00 0.00 H new ATOM 918 N LEU A 104 -10.909 -9.589 3.978 1.00 0.00 N ATOM 919 CA LEU A 104 -11.784 -10.355 4.872 1.00 0.00 C ATOM 920 C LEU A 104 -13.022 -10.876 4.142 1.00 0.00 C ATOM 921 O LEU A 104 -13.370 -10.401 3.062 1.00 0.00 O ATOM 922 CB LEU A 104 -12.206 -9.503 6.076 1.00 0.00 C ATOM 923 CG LEU A 104 -11.295 -9.615 7.301 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.782 -8.247 7.715 1.00 0.00 C ATOM 925 CD2 LEU A 104 -12.032 -10.276 8.454 1.00 0.00 C ATOM 0 H LEU A 104 -10.685 -8.652 4.313 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.214 -11.215 5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.246 -8.459 5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.217 -9.788 6.367 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.440 -10.236 7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.137 -8.349 8.587 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.216 -7.807 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.625 -7.601 7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.369 -10.347 9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.906 -9.680 8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.350 -11.275 8.157 1.00 0.00 H new ATOM 937 N GLU A 105 -13.675 -11.860 4.746 1.00 0.00 N ATOM 938 CA GLU A 105 -14.872 -12.472 4.168 1.00 0.00 C ATOM 939 C GLU A 105 -16.065 -11.514 4.199 1.00 0.00 C ATOM 940 O GLU A 105 -16.801 -11.393 3.220 1.00 0.00 O ATOM 941 CB GLU A 105 -15.214 -13.760 4.922 1.00 0.00 C ATOM 942 CG GLU A 105 -15.826 -14.839 4.041 1.00 0.00 C ATOM 943 CD GLU A 105 -16.052 -16.141 4.781 1.00 0.00 C ATOM 944 OE1 GLU A 105 -17.033 -16.225 5.549 1.00 0.00 O ATOM 945 OE2 GLU A 105 -15.248 -17.077 4.592 1.00 0.00 O ATOM 0 H GLU A 105 -13.396 -12.256 5.643 1.00 0.00 H new ATOM 0 HA GLU A 105 -14.659 -12.705 3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.308 -14.151 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.908 -13.525 5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.776 -14.482 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.172 -15.020 3.188 1.00 0.00 H new ATOM 952 N ASN A 106 -16.249 -10.836 5.332 1.00 0.00 N ATOM 953 CA ASN A 106 -17.356 -9.888 5.493 1.00 0.00 C ATOM 954 C ASN A 106 -17.232 -8.712 4.520 1.00 0.00 C ATOM 955 O ASN A 106 -18.224 -8.266 3.943 1.00 0.00 O ATOM 956 CB ASN A 106 -17.409 -9.364 6.933 1.00 0.00 C ATOM 957 CG ASN A 106 -17.559 -10.470 7.959 1.00 0.00 C ATOM 958 OD1 ASN A 106 -18.600 -11.112 8.047 1.00 0.00 O ATOM 959 ND2 ASN A 106 -16.518 -10.696 8.747 1.00 0.00 N ATOM 0 H ASN A 106 -15.648 -10.924 6.151 1.00 0.00 H new ATOM 0 HA ASN A 106 -18.280 -10.422 5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.499 -8.802 7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -18.243 -8.669 7.031 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.565 -11.426 9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.669 -10.140 8.643 1.00 0.00 H new ATOM 966 N GLY A 107 -16.009 -8.212 4.351 1.00 0.00 N ATOM 967 CA GLY A 107 -15.775 -7.087 3.457 1.00 0.00 C ATOM 968 C GLY A 107 -14.860 -6.048 4.070 1.00 0.00 C ATOM 969 O GLY A 107 -15.245 -4.889 4.226 1.00 0.00 O ATOM 0 H GLY A 107 -15.174 -8.566 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.338 -7.450 2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.728 -6.624 3.202 1.00 0.00 H new ATOM 973 N THR A 108 -13.651 -6.464 4.431 1.00 0.00 N ATOM 974 CA THR A 108 -12.680 -5.555 5.049 1.00 0.00 C ATOM 975 C THR A 108 -11.248 -6.000 4.772 1.00 0.00 C ATOM 976 O THR A 108 -10.987 -7.181 4.550 1.00 0.00 O ATOM 977 CB THR A 108 -12.893 -5.479 6.569 1.00 0.00 C ATOM 978 OG1 THR A 108 -14.009 -6.254 6.981 1.00 0.00 O ATOM 979 CG2 THR A 108 -13.106 -4.067 7.071 1.00 0.00 C ATOM 0 H THR A 108 -13.317 -7.420 4.309 1.00 0.00 H new ATOM 0 HA THR A 108 -12.838 -4.571 4.608 1.00 0.00 H new ATOM 0 HB THR A 108 -11.972 -5.873 6.998 1.00 0.00 H new ATOM 0 HG1 THR A 108 -14.115 -6.184 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.250 -4.083 8.151 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.233 -3.460 6.830 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.988 -3.640 6.593 1.00 0.00 H new ATOM 987 N TRP A 109 -10.312 -5.059 4.823 1.00 0.00 N ATOM 988 CA TRP A 109 -8.907 -5.388 4.614 1.00 0.00 C ATOM 989 C TRP A 109 -8.381 -6.145 5.840 1.00 0.00 C ATOM 990 O TRP A 109 -8.848 -5.928 6.959 1.00 0.00 O ATOM 991 CB TRP A 109 -8.082 -4.121 4.353 1.00 0.00 C ATOM 992 CG TRP A 109 -8.312 -3.521 2.991 1.00 0.00 C ATOM 993 CD1 TRP A 109 -9.193 -2.530 2.663 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.648 -3.881 1.772 1.00 0.00 C ATOM 995 NE1 TRP A 109 -9.119 -2.256 1.314 1.00 0.00 N ATOM 996 CE2 TRP A 109 -8.177 -3.071 0.750 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.658 -4.809 1.448 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.747 -3.164 -0.571 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.231 -4.902 0.135 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.775 -4.083 -0.860 1.00 0.00 C ATOM 0 H TRP A 109 -10.497 -4.073 5.005 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.812 -6.024 3.734 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -8.323 -3.378 5.113 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -7.024 -4.358 4.462 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.852 -2.033 3.360 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -9.675 -1.560 0.818 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.232 -5.445 2.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -8.166 -2.533 -1.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.466 -5.618 -0.126 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.421 -4.178 -1.876 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.436 -7.053 5.625 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.888 -7.857 6.721 1.00 0.00 C ATOM 1013 C ALA A 110 -5.669 -7.199 7.371 1.00 0.00 C ATOM 1014 O ALA A 110 -4.851 -6.572 6.695 1.00 0.00 O ATOM 1015 CB ALA A 110 -6.542 -9.254 6.223 1.00 0.00 C ATOM 0 H ALA A 110 -7.033 -7.253 4.710 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.657 -7.930 7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.136 -9.843 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.441 -9.737 5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.801 -9.183 5.427 1.00 0.00 H new ATOM 1021 N SER A 111 -5.550 -7.361 8.692 1.00 0.00 N ATOM 1022 CA SER A 111 -4.426 -6.792 9.444 1.00 0.00 C ATOM 1023 C SER A 111 -3.194 -7.701 9.369 1.00 0.00 C ATOM 1024 O SER A 111 -2.597 -8.045 10.392 1.00 0.00 O ATOM 1025 CB SER A 111 -4.826 -6.556 10.907 1.00 0.00 C ATOM 1026 OG SER A 111 -4.857 -5.171 11.210 1.00 0.00 O ATOM 0 H SER A 111 -6.217 -7.881 9.263 1.00 0.00 H new ATOM 0 HA SER A 111 -4.168 -5.835 8.991 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.806 -6.995 11.095 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.120 -7.060 11.566 1.00 0.00 H new ATOM 0 HG SER A 111 -5.116 -5.047 12.147 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.819 -8.081 8.148 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.658 -8.944 7.926 1.00 0.00 C ATOM 1034 C ARG A 112 -1.271 -8.977 6.453 1.00 0.00 C ATOM 1035 O ARG A 112 -2.116 -8.800 5.566 1.00 0.00 O ATOM 1036 CB ARG A 112 -1.938 -10.368 8.410 1.00 0.00 C ATOM 1037 CG ARG A 112 -1.002 -10.833 9.518 1.00 0.00 C ATOM 1038 CD ARG A 112 -1.556 -12.038 10.262 1.00 0.00 C ATOM 1039 NE ARG A 112 -1.757 -11.752 11.688 1.00 0.00 N ATOM 1040 CZ ARG A 112 -2.943 -11.629 12.280 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -4.061 -11.745 11.587 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -3.011 -11.381 13.573 1.00 0.00 N ATOM 0 H ARG A 112 -3.304 -7.804 7.294 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.829 -8.528 8.499 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.966 -10.425 8.767 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.855 -11.052 7.566 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.031 -11.085 9.091 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.838 -10.016 10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.503 -12.338 9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.871 -12.879 10.153 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.926 -11.639 12.268 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -4.023 -11.931 10.585 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -4.963 -11.648 12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.155 -11.283 14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.919 -11.287 14.027 1.00 0.00 H new ATOM 1056 N VAL A 113 0.011 -9.205 6.203 1.00 0.00 N ATOM 1057 CA VAL A 113 0.535 -9.266 4.845 1.00 0.00 C ATOM 1058 C VAL A 113 1.590 -10.372 4.719 1.00 0.00 C ATOM 1059 O VAL A 113 2.363 -10.614 5.649 1.00 0.00 O ATOM 1060 CB VAL A 113 1.149 -7.915 4.426 1.00 0.00 C ATOM 1061 CG1 VAL A 113 1.246 -7.819 2.915 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.345 -6.743 4.976 1.00 0.00 C ATOM 0 H VAL A 113 0.712 -9.352 6.929 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.299 -9.492 4.181 1.00 0.00 H new ATOM 0 HB VAL A 113 2.152 -7.864 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.682 -6.859 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.876 -8.625 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.250 -7.904 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.806 -5.806 4.662 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.675 -6.791 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.329 -6.792 6.065 1.00 0.00 H new ATOM 1072 N ASN A 114 1.609 -11.051 3.572 1.00 0.00 N ATOM 1073 CA ASN A 114 2.562 -12.142 3.338 1.00 0.00 C ATOM 1074 C ASN A 114 3.962 -11.621 2.988 1.00 0.00 C ATOM 1075 O ASN A 114 4.361 -11.614 1.820 1.00 0.00 O ATOM 1076 CB ASN A 114 2.041 -13.057 2.227 1.00 0.00 C ATOM 1077 CG ASN A 114 1.494 -14.363 2.766 1.00 0.00 C ATOM 1078 OD1 ASN A 114 2.125 -15.408 2.639 1.00 0.00 O ATOM 1079 ND2 ASN A 114 0.317 -14.310 3.373 1.00 0.00 N ATOM 0 H ASN A 114 0.979 -10.868 2.791 1.00 0.00 H new ATOM 0 HA ASN A 114 2.652 -12.708 4.265 1.00 0.00 H new ATOM 0 HB2 ASN A 114 1.259 -12.540 1.671 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.847 -13.266 1.524 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -0.098 -15.159 3.756 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.174 -13.420 3.457 1.00 0.00 H new ATOM 1086 N TYR A 115 4.707 -11.194 4.006 1.00 0.00 N ATOM 1087 CA TYR A 115 6.067 -10.675 3.800 1.00 0.00 C ATOM 1088 C TYR A 115 7.042 -11.785 3.394 1.00 0.00 C ATOM 1089 O TYR A 115 8.011 -11.522 2.686 1.00 0.00 O ATOM 1090 CB TYR A 115 6.610 -9.967 5.053 1.00 0.00 C ATOM 1091 CG TYR A 115 5.576 -9.221 5.864 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.878 -8.150 5.326 1.00 0.00 C ATOM 1093 CD2 TYR A 115 5.312 -9.581 7.179 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.945 -7.458 6.074 1.00 0.00 C ATOM 1095 CE2 TYR A 115 4.382 -8.894 7.933 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.702 -7.835 7.376 1.00 0.00 C ATOM 1097 OH TYR A 115 2.780 -7.145 8.123 1.00 0.00 O ATOM 0 H TYR A 115 4.398 -11.195 4.978 1.00 0.00 H new ATOM 0 HA TYR A 115 5.991 -9.950 2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.086 -10.709 5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.386 -9.265 4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.067 -7.852 4.305 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.843 -10.412 7.619 1.00 0.00 H new ATOM 0 HE1 TYR A 115 3.410 -6.626 5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 115 4.189 -9.186 8.955 1.00 0.00 H new ATOM 0 HH TYR A 115 2.726 -7.537 9.020 1.00 0.00 H new ATOM 1107 N SER A 116 6.790 -13.017 3.855 1.00 0.00 N ATOM 1108 CA SER A 116 7.661 -14.166 3.547 1.00 0.00 C ATOM 1109 C SER A 116 8.068 -14.226 2.067 1.00 0.00 C ATOM 1110 O SER A 116 9.124 -14.761 1.736 1.00 0.00 O ATOM 1111 CB SER A 116 6.982 -15.477 3.952 1.00 0.00 C ATOM 1112 OG SER A 116 7.589 -16.024 5.111 1.00 0.00 O ATOM 0 H SER A 116 5.989 -13.247 4.444 1.00 0.00 H new ATOM 0 HA SER A 116 8.573 -14.028 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.923 -15.300 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.045 -16.192 3.132 1.00 0.00 H new ATOM 0 HG SER A 116 7.138 -16.860 5.353 1.00 0.00 H new ATOM 1118 N HIS A 117 7.239 -13.674 1.178 1.00 0.00 N ATOM 1119 CA HIS A 117 7.546 -13.670 -0.253 1.00 0.00 C ATOM 1120 C HIS A 117 8.551 -12.562 -0.611 1.00 0.00 C ATOM 1121 O HIS A 117 9.125 -12.559 -1.704 1.00 0.00 O ATOM 1122 CB HIS A 117 6.262 -13.506 -1.071 1.00 0.00 C ATOM 1123 CG HIS A 117 5.616 -14.807 -1.433 1.00 0.00 C ATOM 1124 ND1 HIS A 117 5.329 -15.350 -2.639 1.00 0.00 N flip ATOM 1125 CD2 HIS A 117 5.177 -15.713 -0.494 1.00 0.00 C flip ATOM 1126 CE1 HIS A 117 4.723 -16.563 -2.408 1.00 0.00 C flip ATOM 1127 NE2 HIS A 117 4.647 -16.757 -1.104 1.00 0.00 N flip ATOM 0 H HIS A 117 6.355 -13.227 1.422 1.00 0.00 H new ATOM 0 HA HIS A 117 8.005 -14.628 -0.498 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.553 -12.903 -0.504 1.00 0.00 H new ATOM 0 HB3 HIS A 117 6.490 -12.956 -1.984 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.254 -15.589 0.576 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.368 -17.244 -3.167 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.246 -17.575 -0.645 1.00 0.00 H new ATOM 1136 N CYS A 118 8.760 -11.624 0.314 1.00 0.00 N ATOM 1137 CA CYS A 118 9.686 -10.516 0.104 1.00 0.00 C ATOM 1138 C CYS A 118 11.091 -10.860 0.601 1.00 0.00 C ATOM 1139 O CYS A 118 11.445 -10.561 1.739 1.00 0.00 O ATOM 1140 CB CYS A 118 9.171 -9.267 0.827 1.00 0.00 C ATOM 1141 SG CYS A 118 7.455 -8.816 0.410 1.00 0.00 S ATOM 0 H CYS A 118 8.295 -11.612 1.222 1.00 0.00 H new ATOM 0 HA CYS A 118 9.745 -10.323 -0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.241 -9.429 1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.824 -8.427 0.588 1.00 0.00 H new ATOM 1146 N GLU A 119 11.889 -11.481 -0.264 1.00 0.00 N ATOM 1147 CA GLU A 119 13.265 -11.859 0.083 1.00 0.00 C ATOM 1148 C GLU A 119 14.275 -10.986 -0.675 1.00 0.00 C ATOM 1149 O GLU A 119 13.923 -10.364 -1.683 1.00 0.00 O ATOM 1150 CB GLU A 119 13.506 -13.339 -0.229 1.00 0.00 C ATOM 1151 CG GLU A 119 12.259 -14.212 -0.109 1.00 0.00 C ATOM 1152 CD GLU A 119 12.430 -15.346 0.878 1.00 0.00 C ATOM 1153 OE1 GLU A 119 12.531 -15.063 2.089 1.00 0.00 O ATOM 1154 OE2 GLU A 119 12.463 -16.516 0.437 1.00 0.00 O ATOM 0 H GLU A 119 11.610 -11.735 -1.212 1.00 0.00 H new ATOM 0 HA GLU A 119 13.404 -11.698 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.902 -13.426 -1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.271 -13.722 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.416 -13.593 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.013 -14.623 -1.088 1.00 0.00 H new ATOM 1161 N PRO A 120 15.541 -10.909 -0.202 1.00 0.00 N ATOM 1162 CA PRO A 120 16.573 -10.086 -0.855 1.00 0.00 C ATOM 1163 C PRO A 120 16.938 -10.577 -2.266 1.00 0.00 C ATOM 1164 O PRO A 120 16.261 -10.222 -3.231 1.00 0.00 O ATOM 1165 CB PRO A 120 17.770 -10.168 0.101 1.00 0.00 C ATOM 1166 CG PRO A 120 17.542 -11.401 0.913 1.00 0.00 C ATOM 1167 CD PRO A 120 16.051 -11.591 1.000 1.00 0.00 C ATOM 0 HA PRO A 120 16.226 -9.066 -1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.709 -10.227 -0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.828 -9.284 0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.016 -12.265 0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.978 -11.296 1.907 1.00 0.00 H new ATOM 0 HD2 PRO A 120 15.782 -12.647 1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 120 15.644 -11.153 1.912 1.00 0.00 H new ATOM 1175 N ILE A 121 18.009 -11.376 -2.395 1.00 0.00 N ATOM 1176 CA ILE A 121 18.434 -11.876 -3.706 1.00 0.00 C ATOM 1177 C ILE A 121 19.744 -12.675 -3.615 1.00 0.00 C ATOM 1178 O ILE A 121 20.816 -12.185 -3.971 1.00 0.00 O ATOM 1179 CB ILE A 121 18.603 -10.715 -4.718 1.00 0.00 C ATOM 1180 CG1 ILE A 121 18.937 -11.257 -6.108 1.00 0.00 C ATOM 1181 CG2 ILE A 121 19.673 -9.734 -4.254 1.00 0.00 C ATOM 1182 CD1 ILE A 121 18.096 -10.643 -7.200 1.00 0.00 C ATOM 0 H ILE A 121 18.589 -11.685 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 121 17.648 -12.544 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 121 17.656 -10.178 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 121 19.990 -11.071 -6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 121 18.796 -12.338 -6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 121 19.770 -8.930 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 121 19.389 -9.316 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 121 20.626 -10.254 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 121 18.381 -11.069 -8.162 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.043 -10.851 -7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 121 18.255 -9.565 -7.219 1.00 0.00 H new ATOM 1194 N LEU A 122 19.649 -13.915 -3.143 1.00 0.00 N ATOM 1195 CA LEU A 122 20.824 -14.775 -3.018 1.00 0.00 C ATOM 1196 C LEU A 122 20.984 -15.662 -4.255 1.00 0.00 C ATOM 1197 O LEU A 122 20.766 -15.222 -5.384 1.00 0.00 O ATOM 1198 CB LEU A 122 20.724 -15.634 -1.752 1.00 0.00 C ATOM 1199 CG LEU A 122 21.390 -15.041 -0.505 1.00 0.00 C ATOM 1200 CD1 LEU A 122 22.879 -14.842 -0.734 1.00 0.00 C ATOM 1201 CD2 LEU A 122 20.732 -13.725 -0.122 1.00 0.00 C ATOM 0 H LEU A 122 18.775 -14.346 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 122 21.706 -14.139 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 122 19.671 -15.808 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.172 -16.606 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 122 21.260 -15.745 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.332 -14.420 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.344 -15.802 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.031 -14.161 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 122 21.218 -13.320 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 122 20.829 -13.017 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 122 19.676 -13.894 0.088 1.00 0.00 H new TER 1213 LEU A 122 ATOM 1214 N LEU B 227 24.155 -3.144 0.685 1.00 0.00 N ATOM 1215 CA LEU B 227 23.709 -4.342 0.042 1.00 0.00 C ATOM 1216 C LEU B 227 23.739 -5.546 0.980 1.00 0.00 C ATOM 1217 O LEU B 227 24.380 -6.565 0.702 1.00 0.00 O ATOM 1218 CB LEU B 227 24.620 -4.550 -1.111 1.00 0.00 C ATOM 1219 CG LEU B 227 24.167 -3.882 -2.401 1.00 0.00 C ATOM 1220 CD1 LEU B 227 25.116 -2.757 -2.781 1.00 0.00 C ATOM 1221 CD2 LEU B 227 24.064 -4.895 -3.526 1.00 0.00 C ATOM 0 HA LEU B 227 22.670 -4.241 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU B 227 25.609 -4.173 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU B 227 24.723 -5.621 -1.288 1.00 0.00 H new ATOM 0 HG LEU B 227 23.177 -3.457 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU B 227 24.776 -2.291 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU B 227 25.135 -2.012 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU B 227 26.119 -3.160 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU B 227 23.739 -4.394 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU B 227 25.038 -5.354 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU B 227 23.341 -5.665 -3.257 1.00 0.00 H new ATOM 1233 N ALA B 228 23.034 -5.410 2.088 1.00 0.00 N ATOM 1234 CA ALA B 228 22.948 -6.465 3.100 1.00 0.00 C ATOM 1235 C ALA B 228 22.098 -6.013 4.287 1.00 0.00 C ATOM 1236 O ALA B 228 21.044 -6.583 4.564 1.00 0.00 O ATOM 1237 CB ALA B 228 24.342 -6.878 3.562 1.00 0.00 C ATOM 0 H ALA B 228 22.503 -4.570 2.318 1.00 0.00 H new ATOM 0 HA ALA B 228 22.464 -7.331 2.649 1.00 0.00 H new ATOM 0 HB1 ALA B 228 24.258 -7.663 4.314 1.00 0.00 H new ATOM 0 HB2 ALA B 228 24.912 -7.250 2.711 1.00 0.00 H new ATOM 0 HB3 ALA B 228 24.853 -6.016 3.992 1.00 0.00 H new ATOM 1243 N GLN B 229 22.564 -4.974 4.980 1.00 0.00 N ATOM 1244 CA GLN B 229 21.841 -4.438 6.131 1.00 0.00 C ATOM 1245 C GLN B 229 20.748 -3.459 5.692 1.00 0.00 C ATOM 1246 O GLN B 229 19.685 -3.395 6.311 1.00 0.00 O ATOM 1247 CB GLN B 229 22.810 -3.762 7.106 1.00 0.00 C ATOM 1248 CG GLN B 229 22.704 -4.295 8.530 1.00 0.00 C ATOM 1249 CD GLN B 229 23.028 -3.246 9.576 1.00 0.00 C ATOM 1250 OE1 GLN B 229 22.245 -2.332 9.815 1.00 0.00 O ATOM 1251 NE2 GLN B 229 24.187 -3.373 10.206 1.00 0.00 N ATOM 0 H GLN B 229 23.435 -4.489 4.765 1.00 0.00 H new ATOM 0 HA GLN B 229 21.358 -5.271 6.642 1.00 0.00 H new ATOM 0 HB2 GLN B 229 23.830 -3.902 6.748 1.00 0.00 H new ATOM 0 HB3 GLN B 229 22.618 -2.689 7.112 1.00 0.00 H new ATOM 0 HG2 GLN B 229 21.694 -4.670 8.699 1.00 0.00 H new ATOM 0 HG3 GLN B 229 23.382 -5.141 8.648 1.00 0.00 H new ATOM 0 HE21 GLN B 229 24.810 -4.148 9.977 1.00 0.00 H new ATOM 0 HE22 GLN B 229 24.456 -2.696 10.920 1.00 0.00 H new ATOM 1260 N GLU B 230 21.008 -2.706 4.616 1.00 0.00 N ATOM 1261 CA GLU B 230 20.034 -1.739 4.099 1.00 0.00 C ATOM 1262 C GLU B 230 18.736 -2.444 3.708 1.00 0.00 C ATOM 1263 O GLU B 230 17.668 -2.119 4.229 1.00 0.00 O ATOM 1264 CB GLU B 230 20.611 -0.970 2.908 1.00 0.00 C ATOM 1265 CG GLU B 230 21.489 0.211 3.309 1.00 0.00 C ATOM 1266 CD GLU B 230 20.864 1.086 4.384 1.00 0.00 C ATOM 1267 OE1 GLU B 230 20.465 2.220 4.119 1.00 0.00 O ATOM 0 H GLU B 230 21.880 -2.748 4.089 1.00 0.00 H new ATOM 0 HA GLU B 230 19.812 -1.022 4.889 1.00 0.00 H new ATOM 0 HB2 GLU B 230 21.196 -1.654 2.294 1.00 0.00 H new ATOM 0 HB3 GLU B 230 19.791 -0.608 2.289 1.00 0.00 H new ATOM 0 HG2 GLU B 230 22.448 -0.163 3.667 1.00 0.00 H new ATOM 0 HG3 GLU B 230 21.693 0.819 2.428 1.00 0.00 H new ATOM 1274 N ALA B 231 18.833 -3.438 2.815 1.00 0.00 N ATOM 1275 CA ALA B 231 17.656 -4.204 2.400 1.00 0.00 C ATOM 1276 C ALA B 231 16.950 -4.793 3.625 1.00 0.00 C ATOM 1277 O ALA B 231 15.721 -4.884 3.665 1.00 0.00 O ATOM 1278 CB ALA B 231 18.051 -5.304 1.421 1.00 0.00 C ATOM 0 H ALA B 231 19.705 -3.726 2.372 1.00 0.00 H new ATOM 0 HA ALA B 231 16.963 -3.533 1.892 1.00 0.00 H new ATOM 0 HB1 ALA B 231 17.163 -5.863 1.124 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.511 -4.858 0.539 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.761 -5.979 1.899 1.00 0.00 H new ATOM 1284 N HIS B 232 17.739 -5.164 4.643 1.00 0.00 N ATOM 1285 CA HIS B 232 17.185 -5.705 5.880 1.00 0.00 C ATOM 1286 C HIS B 232 16.228 -4.690 6.499 1.00 0.00 C ATOM 1287 O HIS B 232 15.119 -5.042 6.912 1.00 0.00 O ATOM 1288 CB HIS B 232 18.303 -6.064 6.865 1.00 0.00 C ATOM 1289 CG HIS B 232 17.908 -7.078 7.898 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.632 -7.590 8.015 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.641 -7.680 8.861 1.00 0.00 C ATOM 1292 CE1 HIS B 232 16.600 -8.463 9.008 1.00 0.00 C ATOM 1293 NE2 HIS B 232 17.807 -8.538 9.538 1.00 0.00 N ATOM 0 H HIS B 232 18.757 -5.098 4.629 1.00 0.00 H new ATOM 0 HA HIS B 232 16.636 -6.618 5.651 1.00 0.00 H new ATOM 0 HB2 HIS B 232 19.157 -6.445 6.305 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.633 -5.156 7.370 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.690 -7.517 9.062 1.00 0.00 H new ATOM 0 HE1 HIS B 232 15.733 -9.020 9.331 1.00 0.00 H new ATOM 0 HE2 HIS B 232 18.076 -9.134 10.321 1.00 0.00 H new ATOM 1302 N LYS B 233 16.648 -3.420 6.516 1.00 0.00 N ATOM 1303 CA LYS B 233 15.804 -2.346 7.035 1.00 0.00 C ATOM 1304 C LYS B 233 14.576 -2.195 6.139 1.00 0.00 C ATOM 1305 O LYS B 233 13.460 -2.009 6.626 1.00 0.00 O ATOM 1306 CB LYS B 233 16.576 -1.021 7.100 1.00 0.00 C ATOM 1307 CG LYS B 233 17.745 -1.034 8.075 1.00 0.00 C ATOM 1308 CD LYS B 233 19.068 -0.777 7.368 1.00 0.00 C ATOM 1309 CE LYS B 233 19.431 0.701 7.368 1.00 0.00 C ATOM 1310 NZ LYS B 233 20.665 0.962 6.626 1.00 0.00 N ATOM 0 H LYS B 233 17.561 -3.115 6.178 1.00 0.00 H new ATOM 0 HA LYS B 233 15.492 -2.602 8.048 1.00 0.00 H new ATOM 0 HB2 LYS B 233 16.949 -0.780 6.104 1.00 0.00 H new ATOM 0 HB3 LYS B 233 15.888 -0.225 7.384 1.00 0.00 H new ATOM 0 HG2 LYS B 233 17.588 -0.275 8.842 1.00 0.00 H new ATOM 0 HG3 LYS B 233 17.785 -1.997 8.583 1.00 0.00 H new ATOM 0 HD2 LYS B 233 19.858 -1.345 7.858 1.00 0.00 H new ATOM 0 HD3 LYS B 233 19.007 -1.136 6.341 1.00 0.00 H new ATOM 0 HE2 LYS B 233 18.615 1.275 6.928 1.00 0.00 H new ATOM 0 HE3 LYS B 233 19.546 1.046 8.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 21.447 1.114 7.295 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 20.883 0.147 6.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 20.543 1.810 6.037 1.00 0.00 H new ATOM 1322 N ASN B 234 14.793 -2.314 4.825 1.00 0.00 N ATOM 1323 CA ASN B 234 13.708 -2.225 3.850 1.00 0.00 C ATOM 1324 C ASN B 234 12.637 -3.261 4.172 1.00 0.00 C ATOM 1325 O ASN B 234 11.473 -2.922 4.378 1.00 0.00 O ATOM 1326 CB ASN B 234 14.244 -2.456 2.432 1.00 0.00 C ATOM 1327 CG ASN B 234 15.199 -1.378 1.961 1.00 0.00 C ATOM 1328 OD1 ASN B 234 15.513 -0.439 2.685 1.00 0.00 O ATOM 1329 ND2 ASN B 234 15.664 -1.509 0.728 1.00 0.00 N ATOM 0 H ASN B 234 15.713 -2.472 4.414 1.00 0.00 H new ATOM 0 HA ASN B 234 13.272 -1.227 3.902 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.752 -3.420 2.397 1.00 0.00 H new ATOM 0 HB3 ASN B 234 13.404 -2.513 1.740 1.00 0.00 H new ATOM 0 HD21 ASN B 234 16.307 -0.814 0.349 1.00 0.00 H new ATOM 0 HD22 ASN B 234 15.379 -2.305 0.157 1.00 0.00 H new ATOM 1336 N ARG B 235 13.046 -4.529 4.230 1.00 0.00 N ATOM 1337 CA ARG B 235 12.123 -5.616 4.547 1.00 0.00 C ATOM 1338 C ARG B 235 11.574 -5.468 5.967 1.00 0.00 C ATOM 1339 O ARG B 235 10.371 -5.620 6.185 1.00 0.00 O ATOM 1340 CB ARG B 235 12.811 -6.973 4.388 1.00 0.00 C ATOM 1341 CG ARG B 235 13.228 -7.280 2.960 1.00 0.00 C ATOM 1342 CD ARG B 235 12.057 -7.745 2.113 1.00 0.00 C ATOM 1343 NE ARG B 235 11.728 -6.776 1.064 1.00 0.00 N ATOM 1344 CZ ARG B 235 10.659 -5.991 1.065 1.00 0.00 C ATOM 1345 NH1 ARG B 235 9.821 -5.996 2.079 1.00 0.00 N ATOM 1346 NH2 ARG B 235 10.438 -5.190 0.049 1.00 0.00 N ATOM 0 H ARG B 235 14.007 -4.827 4.062 1.00 0.00 H new ATOM 0 HA ARG B 235 11.290 -5.563 3.847 1.00 0.00 H new ATOM 0 HB2 ARG B 235 13.692 -7.001 5.029 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.137 -7.756 4.737 1.00 0.00 H new ATOM 0 HG2 ARG B 235 13.669 -6.390 2.512 1.00 0.00 H new ATOM 0 HG3 ARG B 235 14.000 -8.050 2.965 1.00 0.00 H new ATOM 0 HD2 ARG B 235 12.296 -8.706 1.658 1.00 0.00 H new ATOM 0 HD3 ARG B 235 11.186 -7.901 2.750 1.00 0.00 H new ATOM 0 HE ARG B 235 12.369 -6.700 0.274 1.00 0.00 H new ATOM 0 HH11 ARG B 235 9.990 -6.609 2.877 1.00 0.00 H new ATOM 0 HH12 ARG B 235 9.003 -5.387 2.067 1.00 0.00 H new ATOM 0 HH21 ARG B 235 11.087 -5.173 -0.738 1.00 0.00 H new ATOM 0 HH22 ARG B 235 9.617 -4.585 0.046 1.00 0.00 H new ATOM 1360 N LYS B 236 12.457 -5.154 6.927 1.00 0.00 N ATOM 1361 CA LYS B 236 12.049 -4.968 8.327 1.00 0.00 C ATOM 1362 C LYS B 236 10.838 -4.039 8.417 1.00 0.00 C ATOM 1363 O LYS B 236 9.937 -4.251 9.230 1.00 0.00 O ATOM 1364 CB LYS B 236 13.212 -4.408 9.154 1.00 0.00 C ATOM 1365 CG LYS B 236 14.059 -5.485 9.817 1.00 0.00 C ATOM 1366 CD LYS B 236 14.956 -4.906 10.906 1.00 0.00 C ATOM 1367 CE LYS B 236 14.779 -5.640 12.228 1.00 0.00 C ATOM 1368 NZ LYS B 236 15.692 -5.109 13.286 1.00 0.00 N ATOM 0 H LYS B 236 13.455 -5.024 6.760 1.00 0.00 H new ATOM 0 HA LYS B 236 11.769 -5.940 8.733 1.00 0.00 H new ATOM 0 HB2 LYS B 236 13.848 -3.803 8.508 1.00 0.00 H new ATOM 0 HB3 LYS B 236 12.815 -3.745 9.922 1.00 0.00 H new ATOM 0 HG2 LYS B 236 13.408 -6.246 10.248 1.00 0.00 H new ATOM 0 HG3 LYS B 236 14.673 -5.980 9.064 1.00 0.00 H new ATOM 0 HD2 LYS B 236 15.998 -4.969 10.591 1.00 0.00 H new ATOM 0 HD3 LYS B 236 14.727 -3.849 11.043 1.00 0.00 H new ATOM 0 HE2 LYS B 236 13.745 -5.546 12.560 1.00 0.00 H new ATOM 0 HE3 LYS B 236 14.972 -6.703 12.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 15.541 -5.635 14.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 16.680 -5.222 12.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 15.491 -4.101 13.444 1.00 0.00 H new ATOM 1382 N LEU B 237 10.818 -3.025 7.548 1.00 0.00 N ATOM 1383 CA LEU B 237 9.714 -2.069 7.486 1.00 0.00 C ATOM 1384 C LEU B 237 8.368 -2.788 7.310 1.00 0.00 C ATOM 1385 O LEU B 237 7.328 -2.271 7.712 1.00 0.00 O ATOM 1386 CB LEU B 237 9.957 -1.083 6.331 1.00 0.00 C ATOM 1387 CG LEU B 237 9.552 0.369 6.603 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.077 0.469 6.950 1.00 0.00 C ATOM 1389 CD2 LEU B 237 10.399 0.960 7.718 1.00 0.00 C ATOM 0 H LEU B 237 11.562 -2.846 6.873 1.00 0.00 H new ATOM 0 HA LEU B 237 9.672 -1.520 8.426 1.00 0.00 H new ATOM 0 HB2 LEU B 237 11.017 -1.104 6.076 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.412 -1.435 5.456 1.00 0.00 H new ATOM 0 HG LEU B 237 9.726 0.942 5.692 1.00 0.00 H new ATOM 0 HD11 LEU B 237 7.817 1.511 7.138 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.481 0.091 6.119 1.00 0.00 H new ATOM 0 HD13 LEU B 237 7.872 -0.123 7.842 1.00 0.00 H new ATOM 0 HD21 LEU B 237 10.097 1.992 7.897 1.00 0.00 H new ATOM 0 HD22 LEU B 237 10.259 0.378 8.629 1.00 0.00 H new ATOM 0 HD23 LEU B 237 11.450 0.935 7.429 1.00 0.00 H new HETATM 1401 N NLE B 238 8.393 -3.991 6.725 1.00 0.00 N HETATM 1402 CA NLE B 238 7.172 -4.774 6.523 1.00 0.00 C HETATM 1403 C NLE B 238 6.561 -5.203 7.857 1.00 0.00 C HETATM 1404 O NLE B 238 5.339 -5.234 8.006 1.00 0.00 O HETATM 1405 CB NLE B 238 7.464 -6.003 5.664 1.00 0.00 C HETATM 1406 CG NLE B 238 7.660 -5.688 4.195 1.00 0.00 C HETATM 1407 CD NLE B 238 6.423 -6.022 3.379 1.00 0.00 C HETATM 1408 CE NLE B 238 6.193 -5.079 2.224 1.00 0.00 C HETATM 0 HG3 NLE B 238 7.899 -4.631 4.078 1.00 0.00 H new HETATM 0 HG2 NLE B 238 8.511 -6.251 3.812 1.00 0.00 H new HETATM 0 HE3 NLE B 238 6.071 -4.064 2.602 1.00 0.00 H new HETATM 0 HE2 NLE B 238 7.048 -5.114 1.549 1.00 0.00 H new HETATM 0 HE1 NLE B 238 5.293 -5.376 1.685 1.00 0.00 H new HETATM 0 HD3 NLE B 238 6.513 -7.038 2.996 1.00 0.00 H new HETATM 0 HD2 NLE B 238 5.550 -6.004 4.032 1.00 0.00 H new HETATM 0 HB3 NLE B 238 8.359 -6.496 6.043 1.00 0.00 H new HETATM 0 HB2 NLE B 238 6.642 -6.711 5.768 1.00 0.00 H new HETATM 0 HA NLE B 238 6.452 -4.140 6.006 1.00 0.00 H new ATOM 1420 N GLU B 239 7.415 -5.513 8.832 1.00 0.00 N ATOM 1421 CA GLU B 239 6.946 -5.914 10.157 1.00 0.00 C ATOM 1422 C GLU B 239 6.037 -4.833 10.753 1.00 0.00 C ATOM 1423 O GLU B 239 5.112 -5.128 11.509 1.00 0.00 O ATOM 1424 CB GLU B 239 8.138 -6.165 11.083 1.00 0.00 C ATOM 1425 CG GLU B 239 7.734 -6.491 12.513 1.00 0.00 C ATOM 1426 CD GLU B 239 7.242 -7.916 12.678 1.00 0.00 C ATOM 1427 OE1 GLU B 239 6.173 -8.246 12.122 1.00 0.00 O ATOM 1428 OE2 GLU B 239 7.929 -8.700 13.364 1.00 0.00 O ATOM 0 H GLU B 239 8.430 -5.494 8.730 1.00 0.00 H new ATOM 0 HA GLU B 239 6.373 -6.836 10.058 1.00 0.00 H new ATOM 0 HB2 GLU B 239 8.731 -6.988 10.684 1.00 0.00 H new ATOM 0 HB3 GLU B 239 8.778 -5.283 11.086 1.00 0.00 H new ATOM 0 HG2 GLU B 239 8.587 -6.328 13.172 1.00 0.00 H new ATOM 0 HG3 GLU B 239 6.950 -5.803 12.830 1.00 0.00 H new ATOM 1435 N ILE B 240 6.312 -3.578 10.394 1.00 0.00 N ATOM 1436 CA ILE B 240 5.531 -2.438 10.876 1.00 0.00 C ATOM 1437 C ILE B 240 4.076 -2.495 10.388 1.00 0.00 C ATOM 1438 O ILE B 240 3.183 -1.932 11.024 1.00 0.00 O ATOM 1439 CB ILE B 240 6.165 -1.103 10.426 1.00 0.00 C ATOM 1440 CG1 ILE B 240 7.538 -0.914 11.060 1.00 0.00 C ATOM 1441 CG2 ILE B 240 5.264 0.069 10.782 1.00 0.00 C ATOM 1442 CD1 ILE B 240 8.316 0.235 10.458 1.00 0.00 C ATOM 0 H ILE B 240 7.075 -3.325 9.767 1.00 0.00 H new ATOM 0 HA ILE B 240 5.535 -2.494 11.965 1.00 0.00 H new ATOM 0 HB ILE B 240 6.282 -1.138 9.343 1.00 0.00 H new ATOM 0 HG12 ILE B 240 7.417 -0.742 12.130 1.00 0.00 H new ATOM 0 HG13 ILE B 240 8.113 -1.833 10.948 1.00 0.00 H new ATOM 0 HG21 ILE B 240 5.730 0.999 10.456 1.00 0.00 H new ATOM 0 HG22 ILE B 240 4.301 -0.048 10.285 1.00 0.00 H new ATOM 0 HG23 ILE B 240 5.114 0.098 11.861 1.00 0.00 H new ATOM 0 HD11 ILE B 240 9.284 0.317 10.952 1.00 0.00 H new ATOM 0 HD12 ILE B 240 8.466 0.055 9.394 1.00 0.00 H new ATOM 0 HD13 ILE B 240 7.759 1.162 10.594 1.00 0.00 H new ATOM 1454 N ILE B 241 3.842 -3.169 9.260 1.00 0.00 N ATOM 1455 CA ILE B 241 2.493 -3.287 8.701 1.00 0.00 C ATOM 1456 C ILE B 241 1.605 -4.157 9.591 1.00 0.00 C ATOM 1457 O ILE B 241 0.387 -3.977 9.641 1.00 0.00 O ATOM 1458 CB ILE B 241 2.502 -3.877 7.265 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.639 -3.293 6.422 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.174 -3.615 6.576 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.759 -1.789 6.509 1.00 0.00 C ATOM 0 H ILE B 241 4.566 -3.640 8.717 1.00 0.00 H new ATOM 0 HA ILE B 241 2.090 -2.275 8.656 1.00 0.00 H new ATOM 0 HB ILE B 241 2.660 -4.952 7.356 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.580 -3.741 6.740 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.487 -3.575 5.380 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.197 -4.035 5.570 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.370 -4.081 7.146 1.00 0.00 H new ATOM 0 HG23 ILE B 241 1.001 -2.541 6.517 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.587 -1.453 5.884 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.833 -1.329 6.162 1.00 0.00 H new ATOM 0 HD13 ILE B 241 3.944 -1.498 7.543 1.00 0.00 H new TER 1473 ILE B 241