USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 781 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 65 TYR OH : rot 156:sc= -0.427 USER MOD Set 1.2: B 141 MET CE :methyl -178:sc= -1.42 (180deg=-1.44) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.614 X(o=-1.1,f=-1.3) USER MOD Set 2.2: A 24 GLN : amide:sc= -0.5 K(o=-1.1,f=-2!) USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0.302) USER MOD Single : A 7 HIS : no HD1:sc= -1.5! K(o=-1.5!,f=0.45) USER MOD Single : A 9 HIS : no HD1:sc= -0.709 K(o=-0.71,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.15) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-2.7!) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0174) USER MOD Single : A 29 THR OG1 : rot -107:sc= -0.116 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 179:sc= -5.96! (180deg=-6.04!) USER MOD Single : A 42 ASN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -0.0305 (180deg=-0.162) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 157:sc= -1.04 (180deg=-2.15!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.469 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.596 USER MOD Single : A 66 HIS : no HD1:sc= -0.0257 X(o=-0.026,f=-0.28) USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= -2.06! (180deg=-3.05!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -2.08! C(o=-2.1!,f=-1.3!) USER MOD Single : A 77 LYS NZ :NH3+ -136:sc= -1.93! (180deg=-4.06!) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= 1.21 (180deg=1.05) USER MOD Single : B 116 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot 160:sc= 0 USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -19.703 5.103 10.314 1.00 0.00 N ATOM 51 CA LYS A 4 -19.532 5.475 8.986 1.00 0.00 C ATOM 52 C LYS A 4 -20.108 4.425 8.062 1.00 0.00 C ATOM 53 O LYS A 4 -19.466 3.427 7.743 1.00 0.00 O ATOM 54 CB LYS A 4 -18.086 5.892 8.663 1.00 0.00 C ATOM 55 CG LYS A 4 -16.999 4.887 9.057 1.00 0.00 C ATOM 56 CD LYS A 4 -15.605 5.425 8.740 1.00 0.00 C ATOM 57 CE LYS A 4 -15.087 6.414 9.764 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.750 5.748 11.036 1.00 0.00 N ATOM 0 HA LYS A 4 -20.106 6.385 8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.012 6.077 7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.880 6.837 9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.073 4.667 10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.158 3.949 8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.909 4.589 8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.624 5.905 7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.204 6.918 9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.839 7.182 9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.978 6.264 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.586 5.739 11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.449 4.771 10.847 1.00 0.00 H new ATOM 72 N GLY A 5 -21.338 4.675 7.652 1.00 0.00 N ATOM 73 CA GLY A 5 -22.134 3.746 6.859 1.00 0.00 C ATOM 74 C GLY A 5 -21.564 3.410 5.497 1.00 0.00 C ATOM 75 O GLY A 5 -22.045 2.486 4.828 1.00 0.00 O ATOM 0 H GLY A 5 -21.825 5.546 7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.254 2.821 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -23.130 4.168 6.724 1.00 0.00 H new ATOM 79 N TRP A 6 -20.532 4.124 5.081 1.00 0.00 N ATOM 80 CA TRP A 6 -19.906 3.852 3.810 1.00 0.00 C ATOM 81 C TRP A 6 -19.170 2.510 3.807 1.00 0.00 C ATOM 82 O TRP A 6 -18.727 2.045 2.758 1.00 0.00 O ATOM 83 CB TRP A 6 -18.994 4.991 3.345 1.00 0.00 C ATOM 84 CG TRP A 6 -17.849 5.325 4.239 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.822 6.296 5.178 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.551 4.714 4.255 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.593 6.345 5.765 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.797 5.381 5.221 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.955 3.675 3.544 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.483 5.048 5.498 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.649 3.345 3.824 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.927 4.032 4.790 1.00 0.00 C ATOM 0 H TRP A 6 -20.115 4.892 5.607 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.716 3.782 3.084 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.598 4.733 2.363 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.602 5.887 3.218 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.653 6.939 5.427 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.313 6.999 6.496 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.508 3.138 2.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.919 5.578 6.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.178 2.538 3.283 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.902 3.752 4.982 1.00 0.00 H new ATOM 103 N HIS A 7 -19.046 1.892 4.984 1.00 0.00 N ATOM 104 CA HIS A 7 -18.414 0.566 5.114 1.00 0.00 C ATOM 105 C HIS A 7 -19.138 -0.503 4.257 1.00 0.00 C ATOM 106 O HIS A 7 -18.548 -1.491 3.860 1.00 0.00 O ATOM 107 CB HIS A 7 -18.340 0.102 6.597 1.00 0.00 C ATOM 108 CG HIS A 7 -19.673 -0.188 7.256 1.00 0.00 C ATOM 109 ND1 HIS A 7 -20.232 -1.441 7.333 1.00 0.00 N ATOM 110 CD2 HIS A 7 -20.542 0.639 7.875 1.00 0.00 C ATOM 111 CE1 HIS A 7 -21.397 -1.339 7.978 1.00 0.00 C ATOM 112 NE2 HIS A 7 -21.631 -0.091 8.332 1.00 0.00 N ATOM 0 H HIS A 7 -19.374 2.285 5.866 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.396 0.673 4.739 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.726 -0.797 6.648 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.828 0.871 7.175 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -20.410 1.704 7.996 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -22.059 -2.168 8.182 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -22.443 0.264 8.837 1.00 0.00 H new ATOM 120 N GLU A 8 -20.410 -0.270 3.956 1.00 0.00 N ATOM 121 CA GLU A 8 -21.194 -1.206 3.143 1.00 0.00 C ATOM 122 C GLU A 8 -20.847 -1.047 1.665 1.00 0.00 C ATOM 123 O GLU A 8 -21.238 -1.857 0.830 1.00 0.00 O ATOM 124 CB GLU A 8 -22.684 -0.942 3.321 1.00 0.00 C ATOM 125 CG GLU A 8 -23.156 -0.991 4.752 1.00 0.00 C ATOM 126 CD GLU A 8 -24.628 -0.707 4.883 1.00 0.00 C ATOM 127 OE1 GLU A 8 -25.048 0.443 4.643 1.00 0.00 O ATOM 128 OE2 GLU A 8 -25.398 -1.619 5.260 1.00 0.00 O ATOM 0 H GLU A 8 -20.924 0.557 4.260 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.955 -2.218 3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.920 0.038 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -23.243 -1.676 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.941 -1.975 5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -22.595 -0.265 5.341 1.00 0.00 H new ATOM 135 N HIS A 9 -20.113 -0.003 1.356 1.00 0.00 N ATOM 136 CA HIS A 9 -19.765 0.323 -0.016 1.00 0.00 C ATOM 137 C HIS A 9 -18.309 -0.020 -0.293 1.00 0.00 C ATOM 138 O HIS A 9 -17.740 0.369 -1.318 1.00 0.00 O ATOM 139 CB HIS A 9 -19.992 1.813 -0.284 1.00 0.00 C ATOM 140 CG HIS A 9 -21.417 2.281 -0.162 1.00 0.00 C ATOM 141 ND1 HIS A 9 -22.284 2.412 -1.222 1.00 0.00 N ATOM 142 CD2 HIS A 9 -22.108 2.689 0.932 1.00 0.00 C ATOM 143 CE1 HIS A 9 -23.440 2.895 -0.756 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.384 3.080 0.554 1.00 0.00 N ATOM 0 H HIS A 9 -19.738 0.647 2.046 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.404 -0.265 -0.675 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.378 2.387 0.410 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.637 2.042 -1.289 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.724 2.707 1.941 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.305 3.106 -1.367 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.124 3.436 1.159 1.00 0.00 H new ATOM 152 N VAL A 10 -17.712 -0.723 0.623 1.00 0.00 N ATOM 153 CA VAL A 10 -16.338 -1.123 0.516 1.00 0.00 C ATOM 154 C VAL A 10 -16.211 -2.547 1.023 1.00 0.00 C ATOM 155 O VAL A 10 -16.725 -2.884 2.088 1.00 0.00 O ATOM 156 CB VAL A 10 -15.405 -0.136 1.302 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.762 -0.008 2.762 1.00 0.00 C ATOM 158 CG2 VAL A 10 -13.945 -0.467 1.119 1.00 0.00 C ATOM 0 H VAL A 10 -18.171 -1.040 1.477 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.018 -1.087 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.581 0.844 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.077 0.689 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.783 0.363 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.685 -0.983 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.338 0.243 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.753 -1.477 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.688 -0.406 0.061 1.00 0.00 H new ATOM 168 N THR A 11 -15.610 -3.395 0.248 1.00 0.00 N ATOM 169 CA THR A 11 -15.459 -4.751 0.649 1.00 0.00 C ATOM 170 C THR A 11 -14.080 -5.092 1.040 1.00 0.00 C ATOM 171 O THR A 11 -13.122 -4.377 0.698 1.00 0.00 O ATOM 172 CB THR A 11 -15.927 -5.727 -0.405 1.00 0.00 C ATOM 173 OG1 THR A 11 -15.626 -5.244 -1.724 1.00 0.00 O ATOM 174 CG2 THR A 11 -17.370 -6.013 -0.223 1.00 0.00 C ATOM 0 H THR A 11 -15.217 -3.168 -0.666 1.00 0.00 H new ATOM 0 HA THR A 11 -16.098 -4.845 1.527 1.00 0.00 H new ATOM 0 HB THR A 11 -15.386 -6.666 -0.289 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.937 -5.893 -2.389 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.700 -6.717 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.534 -6.445 0.764 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.939 -5.087 -0.313 1.00 0.00 H new ATOM 182 N GLN A 12 -13.983 -6.198 1.754 1.00 0.00 N ATOM 183 CA GLN A 12 -12.745 -6.757 2.175 1.00 0.00 C ATOM 184 C GLN A 12 -11.815 -6.957 0.985 1.00 0.00 C ATOM 185 O GLN A 12 -10.641 -6.684 1.080 1.00 0.00 O ATOM 186 CB GLN A 12 -12.966 -8.075 2.863 1.00 0.00 C ATOM 187 CG GLN A 12 -11.682 -8.625 3.453 1.00 0.00 C ATOM 188 CD GLN A 12 -11.593 -10.124 3.474 1.00 0.00 C ATOM 189 OE1 GLN A 12 -10.976 -10.708 4.360 1.00 0.00 O ATOM 190 NE2 GLN A 12 -12.152 -10.762 2.494 1.00 0.00 N ATOM 0 H GLN A 12 -14.795 -6.735 2.057 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.284 -6.061 2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.706 -7.953 3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.375 -8.792 2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.839 -8.232 2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.579 -8.254 4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.658 -10.247 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.086 -11.779 2.444 1.00 0.00 H new ATOM 199 N ASP A 13 -12.355 -7.427 -0.123 1.00 0.00 N ATOM 200 CA ASP A 13 -11.560 -7.628 -1.341 1.00 0.00 C ATOM 201 C ASP A 13 -10.921 -6.331 -1.800 1.00 0.00 C ATOM 202 O ASP A 13 -9.765 -6.319 -2.131 1.00 0.00 O ATOM 203 CB ASP A 13 -12.405 -8.175 -2.473 1.00 0.00 C ATOM 204 CG ASP A 13 -11.589 -8.880 -3.536 1.00 0.00 C ATOM 205 OD1 ASP A 13 -10.939 -8.225 -4.373 1.00 0.00 O ATOM 206 OD2 ASP A 13 -11.582 -10.122 -3.542 1.00 0.00 O ATOM 0 H ASP A 13 -13.339 -7.679 -0.215 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.784 -8.350 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.140 -8.870 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.960 -7.357 -2.932 1.00 0.00 H new ATOM 211 N LEU A 14 -11.669 -5.224 -1.723 1.00 0.00 N ATOM 212 CA LEU A 14 -11.189 -3.927 -2.221 1.00 0.00 C ATOM 213 C LEU A 14 -10.080 -3.444 -1.332 1.00 0.00 C ATOM 214 O LEU A 14 -8.996 -3.102 -1.794 1.00 0.00 O ATOM 215 CB LEU A 14 -12.369 -2.900 -2.278 1.00 0.00 C ATOM 216 CG LEU A 14 -12.111 -1.444 -2.800 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.471 -0.561 -1.753 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.262 -1.432 -4.051 1.00 0.00 C ATOM 0 H LEU A 14 -12.607 -5.199 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.802 -4.035 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.149 -3.336 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.776 -2.817 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.095 -1.040 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.314 0.436 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.125 -0.495 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.513 -0.986 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.109 -0.403 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.297 -1.893 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.767 -1.991 -4.839 1.00 0.00 H new ATOM 230 N ARG A 15 -10.350 -3.465 -0.060 1.00 0.00 N ATOM 231 CA ARG A 15 -9.407 -3.015 0.917 1.00 0.00 C ATOM 232 C ARG A 15 -8.153 -3.880 0.927 1.00 0.00 C ATOM 233 O ARG A 15 -7.058 -3.367 0.849 1.00 0.00 O ATOM 234 CB ARG A 15 -10.071 -2.889 2.287 1.00 0.00 C ATOM 235 CG ARG A 15 -10.799 -4.108 2.744 1.00 0.00 C ATOM 236 CD ARG A 15 -11.763 -3.781 3.840 1.00 0.00 C ATOM 237 NE ARG A 15 -11.073 -3.300 5.041 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.665 -2.852 6.153 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.994 -2.761 6.229 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.922 -2.504 7.196 1.00 0.00 N ATOM 0 H ARG A 15 -11.233 -3.796 0.329 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.069 -2.016 0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.307 -2.642 3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.771 -2.054 2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.335 -4.551 1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.084 -4.852 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.464 -3.022 3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.349 -4.667 4.086 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.053 -3.308 5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.570 -3.035 5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.434 -2.418 7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.906 -2.579 7.146 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.367 -2.161 8.048 1.00 0.00 H new ATOM 254 N SER A 16 -8.332 -5.195 0.912 1.00 0.00 N ATOM 255 CA SER A 16 -7.222 -6.128 0.918 1.00 0.00 C ATOM 256 C SER A 16 -6.430 -6.036 -0.418 1.00 0.00 C ATOM 257 O SER A 16 -5.227 -6.280 -0.459 1.00 0.00 O ATOM 258 CB SER A 16 -7.745 -7.571 1.197 1.00 0.00 C ATOM 259 OG SER A 16 -6.697 -8.529 1.246 1.00 0.00 O ATOM 0 H SER A 16 -9.250 -5.640 0.895 1.00 0.00 H new ATOM 0 HA SER A 16 -6.530 -5.868 1.719 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.287 -7.581 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.455 -7.853 0.420 1.00 0.00 H new ATOM 0 HG SER A 16 -7.073 -9.416 1.424 1.00 0.00 H new ATOM 265 N HIS A 17 -7.117 -5.622 -1.481 1.00 0.00 N ATOM 266 CA HIS A 17 -6.523 -5.465 -2.808 1.00 0.00 C ATOM 267 C HIS A 17 -5.532 -4.302 -2.765 1.00 0.00 C ATOM 268 O HIS A 17 -4.375 -4.424 -3.192 1.00 0.00 O ATOM 269 CB HIS A 17 -7.644 -5.163 -3.817 1.00 0.00 C ATOM 270 CG HIS A 17 -7.305 -5.361 -5.250 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.585 -6.514 -5.956 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.751 -4.518 -6.125 1.00 0.00 C ATOM 273 CE1 HIS A 17 -7.199 -6.330 -7.211 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.681 -5.126 -7.369 1.00 0.00 N ATOM 0 H HIS A 17 -8.108 -5.384 -1.446 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.002 -6.375 -3.107 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.500 -5.793 -3.577 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.960 -4.129 -3.679 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.411 -3.518 -5.899 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.295 -7.065 -7.997 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.306 -4.726 -8.229 1.00 0.00 H new ATOM 282 N LEU A 18 -6.000 -3.189 -2.225 1.00 0.00 N ATOM 283 CA LEU A 18 -5.189 -1.995 -2.037 1.00 0.00 C ATOM 284 C LEU A 18 -4.026 -2.314 -1.142 1.00 0.00 C ATOM 285 O LEU A 18 -2.886 -2.093 -1.524 1.00 0.00 O ATOM 286 CB LEU A 18 -6.026 -0.859 -1.450 1.00 0.00 C ATOM 287 CG LEU A 18 -6.911 -0.025 -2.402 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.479 -0.832 -3.561 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.061 0.478 -1.621 1.00 0.00 C ATOM 0 H LEU A 18 -6.962 -3.087 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.813 -1.666 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.674 -1.286 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.346 -0.173 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.285 0.765 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.090 -0.185 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.661 -1.245 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.092 -1.645 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.707 1.073 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.625 -0.364 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.700 1.097 -0.800 1.00 0.00 H new ATOM 301 N VAL A 19 -4.326 -2.948 -0.010 1.00 0.00 N ATOM 302 CA VAL A 19 -3.333 -3.398 0.988 1.00 0.00 C ATOM 303 C VAL A 19 -2.228 -4.248 0.264 1.00 0.00 C ATOM 304 O VAL A 19 -1.028 -4.088 0.521 1.00 0.00 O ATOM 305 CB VAL A 19 -4.076 -4.340 2.034 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.145 -5.176 2.845 1.00 0.00 C ATOM 307 CG2 VAL A 19 -4.962 -3.572 2.977 1.00 0.00 C ATOM 0 H VAL A 19 -5.286 -3.173 0.253 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.882 -2.539 1.485 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.685 -4.996 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.719 -5.793 3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.562 -5.818 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.472 -4.529 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.444 -4.264 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.362 -2.857 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.723 -3.039 2.408 1.00 0.00 H new ATOM 317 N HIS A 20 -2.657 -5.130 -0.638 1.00 0.00 N ATOM 318 CA HIS A 20 -1.745 -5.952 -1.440 1.00 0.00 C ATOM 319 C HIS A 20 -0.797 -5.059 -2.257 1.00 0.00 C ATOM 320 O HIS A 20 0.423 -5.300 -2.304 1.00 0.00 O ATOM 321 CB HIS A 20 -2.548 -6.905 -2.351 1.00 0.00 C ATOM 322 CG HIS A 20 -1.723 -7.761 -3.274 1.00 0.00 C ATOM 323 ND1 HIS A 20 -1.787 -7.681 -4.644 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.836 -8.748 -3.004 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.966 -8.589 -5.154 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.359 -9.268 -4.207 1.00 0.00 N ATOM 0 H HIS A 20 -3.644 -5.296 -0.835 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.135 -6.561 -0.773 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.154 -7.557 -1.722 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.237 -6.312 -2.952 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.367 -7.034 -5.178 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.545 -9.079 -2.018 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.816 -8.750 -6.211 1.00 0.00 H new ATOM 334 N LYS A 21 -1.344 -4.017 -2.886 1.00 0.00 N ATOM 335 CA LYS A 21 -0.495 -3.062 -3.598 1.00 0.00 C ATOM 336 C LYS A 21 0.413 -2.315 -2.653 1.00 0.00 C ATOM 337 O LYS A 21 1.534 -1.990 -3.017 1.00 0.00 O ATOM 338 CB LYS A 21 -1.237 -2.042 -4.451 1.00 0.00 C ATOM 339 CG LYS A 21 -1.735 -2.518 -5.794 1.00 0.00 C ATOM 340 CD LYS A 21 -3.071 -3.239 -5.706 1.00 0.00 C ATOM 341 CE LYS A 21 -3.680 -3.466 -7.092 1.00 0.00 C ATOM 342 NZ LYS A 21 -2.800 -4.194 -8.018 1.00 0.00 N ATOM 0 H LYS A 21 -2.344 -3.816 -2.918 1.00 0.00 H new ATOM 0 HA LYS A 21 0.078 -3.692 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.091 -1.678 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.577 -1.190 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.832 -1.664 -6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.995 -3.186 -6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.936 -4.198 -5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.761 -2.656 -5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.613 -4.019 -6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.932 -2.500 -7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.315 -4.399 -8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.965 -3.612 -8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.496 -5.087 -7.579 1.00 0.00 H new ATOM 356 N LEU A 22 -0.075 -2.013 -1.445 1.00 0.00 N ATOM 357 CA LEU A 22 0.760 -1.358 -0.441 1.00 0.00 C ATOM 358 C LEU A 22 1.990 -2.135 -0.194 1.00 0.00 C ATOM 359 O LEU A 22 3.045 -1.568 -0.114 1.00 0.00 O ATOM 360 CB LEU A 22 0.079 -1.122 0.885 1.00 0.00 C ATOM 361 CG LEU A 22 -0.751 0.123 1.026 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.014 0.064 0.264 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.941 0.471 2.479 1.00 0.00 C ATOM 0 H LEU A 22 -1.030 -2.209 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 22 0.986 -0.381 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.562 -1.979 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.846 -1.104 1.659 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.198 0.944 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.568 0.992 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.794 -0.068 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.613 -0.775 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.544 1.375 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.447 -0.350 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.031 0.640 2.943 1.00 0.00 H new ATOM 375 N VAL A 23 1.839 -3.432 -0.061 1.00 0.00 N ATOM 376 CA VAL A 23 2.963 -4.312 0.067 1.00 0.00 C ATOM 377 C VAL A 23 3.873 -4.194 -1.134 1.00 0.00 C ATOM 378 O VAL A 23 5.044 -4.039 -0.970 1.00 0.00 O ATOM 379 CB VAL A 23 2.563 -5.773 0.267 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.817 -6.637 0.251 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.850 -5.928 1.581 1.00 0.00 C ATOM 0 H VAL A 23 0.933 -3.900 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 23 3.493 -3.997 0.966 1.00 0.00 H new ATOM 0 HB VAL A 23 1.894 -6.086 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.541 -7.682 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.325 -6.523 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.484 -6.325 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.566 -6.971 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.510 -5.620 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.956 -5.305 1.585 1.00 0.00 H new ATOM 391 N GLN A 24 3.305 -4.222 -2.338 1.00 0.00 N ATOM 392 CA GLN A 24 4.108 -4.092 -3.567 1.00 0.00 C ATOM 393 C GLN A 24 4.927 -2.802 -3.578 1.00 0.00 C ATOM 394 O GLN A 24 6.007 -2.741 -4.169 1.00 0.00 O ATOM 395 CB GLN A 24 3.237 -4.118 -4.801 1.00 0.00 C ATOM 396 CG GLN A 24 2.409 -5.358 -4.924 1.00 0.00 C ATOM 397 CD GLN A 24 1.972 -5.593 -6.326 1.00 0.00 C ATOM 398 OE1 GLN A 24 2.660 -5.220 -7.277 1.00 0.00 O ATOM 399 NE2 GLN A 24 0.870 -6.221 -6.482 1.00 0.00 N ATOM 0 H GLN A 24 2.303 -4.332 -2.496 1.00 0.00 H new ATOM 0 HA GLN A 24 4.785 -4.946 -3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.577 -3.250 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.869 -4.024 -5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.984 -6.215 -4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.534 -5.276 -4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.330 -6.513 -5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.531 -6.430 -7.421 1.00 0.00 H new ATOM 408 N ALA A 25 4.370 -1.766 -2.994 1.00 0.00 N ATOM 409 CA ALA A 25 5.034 -0.510 -2.876 1.00 0.00 C ATOM 410 C ALA A 25 6.021 -0.448 -1.690 1.00 0.00 C ATOM 411 O ALA A 25 7.102 0.034 -1.832 1.00 0.00 O ATOM 412 CB ALA A 25 4.011 0.560 -2.776 1.00 0.00 C ATOM 0 H ALA A 25 3.435 -1.782 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 25 5.645 -0.368 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.504 1.528 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.388 0.553 -3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.388 0.387 -1.899 1.00 0.00 H new ATOM 418 N ILE A 26 5.630 -0.909 -0.520 1.00 0.00 N ATOM 419 CA ILE A 26 6.537 -0.852 0.636 1.00 0.00 C ATOM 420 C ILE A 26 7.665 -1.864 0.471 1.00 0.00 C ATOM 421 O ILE A 26 8.812 -1.623 0.847 1.00 0.00 O ATOM 422 CB ILE A 26 5.824 -1.085 2.019 1.00 0.00 C ATOM 423 CG1 ILE A 26 6.843 -0.931 3.166 1.00 0.00 C ATOM 424 CG2 ILE A 26 5.122 -2.432 2.075 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.354 -1.376 4.519 1.00 0.00 C ATOM 0 H ILE A 26 4.715 -1.320 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 26 6.931 0.164 0.654 1.00 0.00 H new ATOM 0 HB ILE A 26 5.049 -0.327 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.738 -1.500 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.139 0.116 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.643 -2.552 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.368 -2.482 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.851 -3.229 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.142 -1.228 5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.479 -0.791 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.087 -2.432 4.480 1.00 0.00 H new ATOM 437 N PHE A 27 7.331 -2.961 -0.108 1.00 0.00 N ATOM 438 CA PHE A 27 8.228 -4.010 -0.332 1.00 0.00 C ATOM 439 C PHE A 27 8.316 -4.234 -1.820 1.00 0.00 C ATOM 440 O PHE A 27 7.415 -4.849 -2.401 1.00 0.00 O ATOM 441 CB PHE A 27 7.696 -5.291 0.309 1.00 0.00 C ATOM 442 CG PHE A 27 8.613 -6.465 0.207 1.00 0.00 C ATOM 443 CD1 PHE A 27 9.803 -6.489 0.895 1.00 0.00 C ATOM 444 CD2 PHE A 27 8.281 -7.541 -0.597 1.00 0.00 C ATOM 445 CE1 PHE A 27 10.650 -7.563 0.792 1.00 0.00 C ATOM 446 CE2 PHE A 27 9.125 -8.623 -0.709 1.00 0.00 C ATOM 447 CZ PHE A 27 10.312 -8.636 -0.013 1.00 0.00 C ATOM 0 H PHE A 27 6.388 -3.149 -0.447 1.00 0.00 H new ATOM 0 HA PHE A 27 9.201 -3.763 0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.492 -5.097 1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.745 -5.548 -0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.074 -5.653 1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.349 -7.532 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.581 -7.571 1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.857 -9.457 -1.340 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.978 -9.482 -0.095 1.00 0.00 H new ATOM 457 N PRO A 28 9.319 -3.671 -2.488 1.00 0.00 N ATOM 458 CA PRO A 28 9.577 -3.986 -3.881 1.00 0.00 C ATOM 459 C PRO A 28 9.860 -5.487 -3.994 1.00 0.00 C ATOM 460 O PRO A 28 10.980 -5.969 -3.692 1.00 0.00 O ATOM 461 CB PRO A 28 10.826 -3.159 -4.213 1.00 0.00 C ATOM 462 CG PRO A 28 11.400 -2.831 -2.871 1.00 0.00 C ATOM 463 CD PRO A 28 10.236 -2.651 -1.981 1.00 0.00 C ATOM 0 HA PRO A 28 8.751 -3.761 -4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.531 -3.725 -4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.573 -2.258 -4.772 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.047 -3.632 -2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 28 12.006 -1.926 -2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.492 -2.814 -0.934 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.815 -1.648 -2.054 1.00 0.00 H new ATOM 471 N THR A 29 8.836 -6.216 -4.336 1.00 0.00 N ATOM 472 CA THR A 29 8.881 -7.626 -4.329 1.00 0.00 C ATOM 473 C THR A 29 9.664 -8.159 -5.530 1.00 0.00 C ATOM 474 O THR A 29 9.506 -7.675 -6.661 1.00 0.00 O ATOM 475 CB THR A 29 7.450 -8.240 -4.227 1.00 0.00 C ATOM 476 OG1 THR A 29 7.528 -9.648 -4.012 1.00 0.00 O ATOM 477 CG2 THR A 29 6.610 -7.956 -5.466 1.00 0.00 C ATOM 0 H THR A 29 7.939 -5.829 -4.630 1.00 0.00 H new ATOM 0 HA THR A 29 9.419 -7.943 -3.436 1.00 0.00 H new ATOM 0 HB THR A 29 6.959 -7.765 -3.378 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.263 -10.119 -4.830 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.623 -8.404 -5.347 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.507 -6.879 -5.596 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.098 -8.382 -6.342 1.00 0.00 H new ATOM 485 N PRO A 30 10.552 -9.133 -5.298 1.00 0.00 N ATOM 486 CA PRO A 30 11.371 -9.724 -6.359 1.00 0.00 C ATOM 487 C PRO A 30 10.547 -10.641 -7.255 1.00 0.00 C ATOM 488 O PRO A 30 10.912 -10.915 -8.398 1.00 0.00 O ATOM 489 CB PRO A 30 12.401 -10.542 -5.577 1.00 0.00 C ATOM 490 CG PRO A 30 11.702 -10.909 -4.316 1.00 0.00 C ATOM 491 CD PRO A 30 10.845 -9.732 -3.973 1.00 0.00 C ATOM 0 HA PRO A 30 11.807 -8.975 -7.020 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.710 -11.428 -6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.301 -9.961 -5.378 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.099 -11.807 -4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.416 -11.120 -3.519 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.934 -10.034 -3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.365 -9.031 -3.320 1.00 0.00 H new ATOM 499 N ASP A 31 9.430 -11.094 -6.732 1.00 0.00 N ATOM 500 CA ASP A 31 8.575 -12.016 -7.430 1.00 0.00 C ATOM 501 C ASP A 31 7.205 -11.933 -6.823 1.00 0.00 C ATOM 502 O ASP A 31 7.091 -11.731 -5.614 1.00 0.00 O ATOM 503 CB ASP A 31 9.079 -13.421 -7.210 1.00 0.00 C ATOM 504 CG ASP A 31 8.417 -14.442 -8.080 1.00 0.00 C ATOM 505 OD1 ASP A 31 8.912 -14.703 -9.187 1.00 0.00 O ATOM 506 OD2 ASP A 31 7.410 -15.022 -7.659 1.00 0.00 O ATOM 0 H ASP A 31 9.091 -10.830 -5.807 1.00 0.00 H new ATOM 0 HA ASP A 31 8.559 -11.775 -8.493 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.154 -13.444 -7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.926 -13.693 -6.166 1.00 0.00 H new ATOM 511 N PRO A 32 6.150 -12.060 -7.610 1.00 0.00 N ATOM 512 CA PRO A 32 4.787 -12.093 -7.094 1.00 0.00 C ATOM 513 C PRO A 32 4.529 -13.218 -6.062 1.00 0.00 C ATOM 514 O PRO A 32 3.581 -13.148 -5.288 1.00 0.00 O ATOM 515 CB PRO A 32 3.926 -12.329 -8.324 1.00 0.00 C ATOM 516 CG PRO A 32 4.863 -12.725 -9.412 1.00 0.00 C ATOM 517 CD PRO A 32 6.170 -12.099 -9.082 1.00 0.00 C ATOM 0 HA PRO A 32 4.570 -11.168 -6.559 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.189 -13.111 -8.140 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.375 -11.428 -8.593 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.955 -13.810 -9.471 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.501 -12.382 -10.381 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.007 -12.686 -9.460 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.261 -11.102 -9.512 1.00 0.00 H new ATOM 525 N ALA A 33 5.360 -14.245 -6.033 1.00 0.00 N ATOM 526 CA ALA A 33 5.146 -15.309 -5.076 1.00 0.00 C ATOM 527 C ALA A 33 5.646 -14.940 -3.685 1.00 0.00 C ATOM 528 O ALA A 33 5.316 -15.604 -2.703 1.00 0.00 O ATOM 529 CB ALA A 33 5.702 -16.642 -5.539 1.00 0.00 C ATOM 0 H ALA A 33 6.168 -14.362 -6.645 1.00 0.00 H new ATOM 0 HA ALA A 33 4.066 -15.435 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.511 -17.400 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.219 -16.933 -6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.776 -16.552 -5.699 1.00 0.00 H new ATOM 535 N ALA A 34 6.396 -13.856 -3.582 1.00 0.00 N ATOM 536 CA ALA A 34 6.838 -13.380 -2.277 1.00 0.00 C ATOM 537 C ALA A 34 5.674 -12.673 -1.576 1.00 0.00 C ATOM 538 O ALA A 34 5.716 -12.370 -0.385 1.00 0.00 O ATOM 539 CB ALA A 34 8.036 -12.453 -2.417 1.00 0.00 C ATOM 0 H ALA A 34 6.710 -13.294 -4.373 1.00 0.00 H new ATOM 0 HA ALA A 34 7.153 -14.230 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.348 -12.110 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.858 -12.989 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.762 -11.594 -3.029 1.00 0.00 H new ATOM 545 N LEU A 35 4.605 -12.490 -2.327 1.00 0.00 N ATOM 546 CA LEU A 35 3.419 -11.812 -1.867 1.00 0.00 C ATOM 547 C LEU A 35 2.434 -12.802 -1.238 1.00 0.00 C ATOM 548 O LEU A 35 1.327 -12.444 -0.863 1.00 0.00 O ATOM 549 CB LEU A 35 2.764 -11.137 -3.046 1.00 0.00 C ATOM 550 CG LEU A 35 3.665 -10.196 -3.831 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.032 -9.835 -5.138 1.00 0.00 C ATOM 552 CD2 LEU A 35 3.965 -8.952 -3.032 1.00 0.00 C ATOM 0 H LEU A 35 4.540 -12.816 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 35 3.698 -11.079 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.389 -11.905 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.900 -10.576 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 35 4.605 -10.711 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.690 -9.161 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.867 -10.739 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.077 -9.342 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.611 -8.293 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.034 -8.435 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.467 -9.227 -2.105 1.00 0.00 H new ATOM 564 N LYS A 36 2.828 -14.050 -1.180 1.00 0.00 N ATOM 565 CA LYS A 36 2.016 -15.106 -0.572 1.00 0.00 C ATOM 566 C LYS A 36 2.917 -15.934 0.336 1.00 0.00 C ATOM 567 O LYS A 36 2.643 -17.093 0.663 1.00 0.00 O ATOM 568 CB LYS A 36 1.374 -15.952 -1.681 1.00 0.00 C ATOM 569 CG LYS A 36 2.378 -16.597 -2.629 1.00 0.00 C ATOM 570 CD LYS A 36 1.722 -17.140 -3.889 1.00 0.00 C ATOM 571 CE LYS A 36 1.133 -16.009 -4.737 1.00 0.00 C ATOM 572 NZ LYS A 36 0.518 -16.493 -5.984 1.00 0.00 N ATOM 0 H LYS A 36 3.721 -14.376 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 36 1.207 -14.691 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.768 -16.734 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.697 -15.322 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.136 -15.864 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.892 -17.408 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.456 -17.693 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.935 -17.843 -3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.385 -15.474 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.920 -15.294 -4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.136 -15.687 -6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.235 -16.980 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.252 -17.154 -5.757 1.00 0.00 H new ATOM 586 N ASP A 37 3.968 -15.295 0.755 1.00 0.00 N ATOM 587 CA ASP A 37 5.025 -15.902 1.547 1.00 0.00 C ATOM 588 C ASP A 37 4.819 -15.590 3.039 1.00 0.00 C ATOM 589 O ASP A 37 3.911 -14.865 3.395 1.00 0.00 O ATOM 590 CB ASP A 37 6.334 -15.311 1.053 1.00 0.00 C ATOM 591 CG ASP A 37 7.552 -15.807 1.725 1.00 0.00 C ATOM 592 OD1 ASP A 37 8.060 -16.874 1.384 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.012 -15.131 2.624 1.00 0.00 O ATOM 0 H ASP A 37 4.129 -14.308 0.556 1.00 0.00 H new ATOM 0 HA ASP A 37 5.024 -16.987 1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.422 -15.512 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.291 -14.228 1.171 1.00 0.00 H new ATOM 598 N ARG A 38 5.659 -16.134 3.890 1.00 0.00 N ATOM 599 CA ARG A 38 5.606 -15.903 5.328 1.00 0.00 C ATOM 600 C ARG A 38 6.056 -14.490 5.674 1.00 0.00 C ATOM 601 O ARG A 38 5.702 -13.943 6.724 1.00 0.00 O ATOM 602 CB ARG A 38 6.435 -16.958 6.056 1.00 0.00 C ATOM 603 CG ARG A 38 7.957 -16.723 6.207 1.00 0.00 C ATOM 604 CD ARG A 38 8.702 -16.839 4.899 1.00 0.00 C ATOM 605 NE ARG A 38 10.157 -16.665 5.048 1.00 0.00 N ATOM 606 CZ ARG A 38 10.998 -16.319 4.047 1.00 0.00 C ATOM 607 NH1 ARG A 38 10.525 -15.933 2.871 1.00 0.00 N ATOM 608 NH2 ARG A 38 12.303 -16.305 4.257 1.00 0.00 N ATOM 0 H ARG A 38 6.412 -16.760 3.605 1.00 0.00 H new ATOM 0 HA ARG A 38 4.572 -15.995 5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.017 -17.077 7.055 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.295 -17.906 5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.126 -15.732 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.363 -17.445 6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.502 -17.816 4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.322 -16.091 4.203 1.00 0.00 H new ATOM 0 HE ARG A 38 10.559 -16.816 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.518 -15.895 2.714 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.168 -15.674 2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.675 -16.555 5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.938 -16.044 3.503 1.00 0.00 H new ATOM 622 N ARG A 39 6.832 -13.901 4.790 1.00 0.00 N ATOM 623 CA ARG A 39 7.271 -12.537 4.945 1.00 0.00 C ATOM 624 C ARG A 39 6.075 -11.626 4.670 1.00 0.00 C ATOM 625 O ARG A 39 5.962 -10.511 5.213 1.00 0.00 O ATOM 626 CB ARG A 39 8.385 -12.263 3.944 1.00 0.00 C ATOM 627 CG ARG A 39 9.125 -10.960 4.145 1.00 0.00 C ATOM 628 CD ARG A 39 10.114 -10.724 3.017 1.00 0.00 C ATOM 629 NE ARG A 39 11.076 -11.838 2.853 1.00 0.00 N ATOM 630 CZ ARG A 39 11.275 -12.525 1.700 1.00 0.00 C ATOM 631 NH1 ARG A 39 10.498 -12.308 0.645 1.00 0.00 N ATOM 632 NH2 ARG A 39 12.241 -13.428 1.617 1.00 0.00 N ATOM 0 H ARG A 39 7.175 -14.357 3.944 1.00 0.00 H new ATOM 0 HA ARG A 39 7.649 -12.356 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.103 -13.081 3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.960 -12.270 2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.414 -10.135 4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.652 -10.979 5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.567 -10.582 2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.663 -9.802 3.208 1.00 0.00 H new ATOM 0 HE ARG A 39 11.629 -12.109 3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.746 -11.621 0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.653 -12.828 -0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.840 -13.610 2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.386 -13.941 0.748 1.00 0.00 H new ATOM 646 N MET A 40 5.156 -12.150 3.865 1.00 0.00 N ATOM 647 CA MET A 40 3.950 -11.457 3.479 1.00 0.00 C ATOM 648 C MET A 40 3.077 -11.117 4.654 1.00 0.00 C ATOM 649 O MET A 40 2.579 -10.033 4.690 1.00 0.00 O ATOM 650 CB MET A 40 3.190 -12.204 2.356 1.00 0.00 C ATOM 651 CG MET A 40 1.686 -11.909 2.201 1.00 0.00 C ATOM 652 SD MET A 40 1.247 -10.168 1.970 1.00 0.00 S ATOM 653 CE MET A 40 2.313 -9.679 0.650 1.00 0.00 C ATOM 0 H MET A 40 5.238 -13.083 3.461 1.00 0.00 H new ATOM 0 HA MET A 40 4.257 -10.500 3.058 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.678 -11.974 1.409 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.308 -13.275 2.524 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.309 -12.476 1.349 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.169 -12.281 3.085 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.128 -8.634 0.401 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.352 -9.801 0.957 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.118 -10.300 -0.224 1.00 0.00 H new ATOM 663 N GLU A 41 2.953 -11.997 5.665 1.00 0.00 N ATOM 664 CA GLU A 41 2.066 -11.661 6.800 1.00 0.00 C ATOM 665 C GLU A 41 2.521 -10.363 7.480 1.00 0.00 C ATOM 666 O GLU A 41 1.713 -9.613 7.965 1.00 0.00 O ATOM 667 CB GLU A 41 1.969 -12.751 7.866 1.00 0.00 C ATOM 668 CG GLU A 41 3.214 -12.907 8.693 1.00 0.00 C ATOM 669 CD GLU A 41 2.986 -13.693 9.945 1.00 0.00 C ATOM 670 OE1 GLU A 41 2.853 -14.919 9.876 1.00 0.00 O ATOM 671 OE2 GLU A 41 2.933 -13.079 11.036 1.00 0.00 O ATOM 0 H GLU A 41 3.426 -12.899 5.724 1.00 0.00 H new ATOM 0 HA GLU A 41 1.077 -11.549 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.132 -12.526 8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.746 -13.701 7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.982 -13.399 8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.597 -11.920 8.954 1.00 0.00 H new ATOM 678 N ASN A 42 3.829 -10.125 7.468 1.00 0.00 N ATOM 679 CA ASN A 42 4.448 -8.936 8.062 1.00 0.00 C ATOM 680 C ASN A 42 4.216 -7.727 7.180 1.00 0.00 C ATOM 681 O ASN A 42 3.810 -6.645 7.646 1.00 0.00 O ATOM 682 CB ASN A 42 5.962 -9.190 8.249 1.00 0.00 C ATOM 683 CG ASN A 42 6.784 -7.928 8.509 1.00 0.00 C ATOM 684 OD1 ASN A 42 6.943 -7.494 9.637 1.00 0.00 O ATOM 685 ND2 ASN A 42 7.341 -7.363 7.456 1.00 0.00 N ATOM 0 H ASN A 42 4.502 -10.760 7.040 1.00 0.00 H new ATOM 0 HA ASN A 42 3.995 -8.738 9.034 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.103 -9.879 9.082 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.348 -9.684 7.358 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.927 -6.536 7.571 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.186 -7.753 6.526 1.00 0.00 H new ATOM 692 N LEU A 43 4.445 -7.925 5.904 1.00 0.00 N ATOM 693 CA LEU A 43 4.296 -6.873 4.918 1.00 0.00 C ATOM 694 C LEU A 43 2.845 -6.430 4.854 1.00 0.00 C ATOM 695 O LEU A 43 2.530 -5.234 4.906 1.00 0.00 O ATOM 696 CB LEU A 43 4.731 -7.402 3.563 1.00 0.00 C ATOM 697 CG LEU A 43 6.144 -7.969 3.488 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.403 -8.581 2.129 1.00 0.00 C ATOM 699 CD2 LEU A 43 7.174 -6.898 3.805 1.00 0.00 C ATOM 0 H LEU A 43 4.741 -8.821 5.516 1.00 0.00 H new ATOM 0 HA LEU A 43 4.914 -6.019 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.032 -8.181 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.646 -6.595 2.836 1.00 0.00 H new ATOM 0 HG LEU A 43 6.235 -8.755 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.417 -8.980 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.691 -9.386 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.288 -7.818 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.175 -7.326 3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.085 -6.083 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.003 -6.515 4.811 1.00 0.00 H new ATOM 711 N VAL A 44 1.969 -7.403 4.790 1.00 0.00 N ATOM 712 CA VAL A 44 0.573 -7.157 4.702 1.00 0.00 C ATOM 713 C VAL A 44 0.063 -6.650 6.032 1.00 0.00 C ATOM 714 O VAL A 44 -0.873 -5.900 6.065 1.00 0.00 O ATOM 715 CB VAL A 44 -0.217 -8.413 4.244 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.413 -9.444 5.337 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.506 -8.046 3.576 1.00 0.00 C ATOM 0 H VAL A 44 2.219 -8.392 4.798 1.00 0.00 H new ATOM 0 HA VAL A 44 0.412 -6.395 3.940 1.00 0.00 H new ATOM 0 HB VAL A 44 0.412 -8.901 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.973 -10.292 4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.559 -9.785 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.966 -8.998 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.029 -8.953 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.130 -7.485 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.299 -7.433 2.699 1.00 0.00 H new ATOM 727 N ALA A 45 0.721 -7.050 7.127 1.00 0.00 N ATOM 728 CA ALA A 45 0.367 -6.564 8.464 1.00 0.00 C ATOM 729 C ALA A 45 0.449 -5.035 8.483 1.00 0.00 C ATOM 730 O ALA A 45 -0.488 -4.350 8.934 1.00 0.00 O ATOM 731 CB ALA A 45 1.276 -7.179 9.540 1.00 0.00 C ATOM 0 H ALA A 45 1.500 -7.708 7.112 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.653 -6.871 8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.988 -6.799 10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.173 -8.264 9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.313 -6.911 9.337 1.00 0.00 H new ATOM 737 N TYR A 46 1.553 -4.511 7.949 1.00 0.00 N ATOM 738 CA TYR A 46 1.731 -3.057 7.772 1.00 0.00 C ATOM 739 C TYR A 46 0.671 -2.493 6.849 1.00 0.00 C ATOM 740 O TYR A 46 0.069 -1.474 7.141 1.00 0.00 O ATOM 741 CB TYR A 46 3.148 -2.736 7.204 1.00 0.00 C ATOM 742 CG TYR A 46 3.275 -1.403 6.424 1.00 0.00 C ATOM 743 CD1 TYR A 46 2.948 -1.336 5.059 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.715 -0.240 7.031 1.00 0.00 C ATOM 745 CE1 TYR A 46 3.054 -0.164 4.344 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.827 0.944 6.308 1.00 0.00 C ATOM 747 CZ TYR A 46 3.494 0.969 4.967 1.00 0.00 C ATOM 748 OH TYR A 46 3.602 2.141 4.249 1.00 0.00 O ATOM 0 H TYR A 46 2.344 -5.069 7.628 1.00 0.00 H new ATOM 0 HA TYR A 46 1.630 -2.590 8.752 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.856 -2.719 8.033 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.448 -3.551 6.545 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.604 -2.228 4.557 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.975 -0.251 8.079 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.791 -0.141 3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.174 1.843 6.795 1.00 0.00 H new ATOM 0 HH TYR A 46 3.928 2.855 4.836 1.00 0.00 H new ATOM 758 N ALA A 47 0.475 -3.134 5.740 1.00 0.00 N ATOM 759 CA ALA A 47 -0.447 -2.654 4.754 1.00 0.00 C ATOM 760 C ALA A 47 -1.866 -2.548 5.340 1.00 0.00 C ATOM 761 O ALA A 47 -2.510 -1.535 5.205 1.00 0.00 O ATOM 762 CB ALA A 47 -0.364 -3.537 3.540 1.00 0.00 C ATOM 0 H ALA A 47 0.947 -4.003 5.491 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.182 -1.643 4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.062 -3.181 2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.650 -3.511 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.619 -4.560 3.816 1.00 0.00 H new ATOM 768 N LYS A 48 -2.274 -3.566 6.077 1.00 0.00 N ATOM 769 CA LYS A 48 -3.574 -3.605 6.750 1.00 0.00 C ATOM 770 C LYS A 48 -3.697 -2.488 7.786 1.00 0.00 C ATOM 771 O LYS A 48 -4.744 -1.840 7.891 1.00 0.00 O ATOM 772 CB LYS A 48 -3.748 -4.943 7.463 1.00 0.00 C ATOM 773 CG LYS A 48 -3.832 -6.151 6.545 1.00 0.00 C ATOM 774 CD LYS A 48 -3.735 -7.443 7.342 1.00 0.00 C ATOM 775 CE LYS A 48 -3.804 -8.676 6.448 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.038 -8.734 5.636 1.00 0.00 N ATOM 0 H LYS A 48 -1.710 -4.402 6.231 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.343 -3.473 5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.913 -5.084 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.654 -4.901 8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.771 -6.129 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.029 -6.111 5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.800 -7.454 7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.544 -7.480 8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.939 -8.686 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.741 -9.571 7.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.110 -9.666 5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.864 -8.583 6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.009 -7.993 4.906 1.00 0.00 H new ATOM 790 N LYS A 49 -2.630 -2.267 8.548 1.00 0.00 N ATOM 791 CA LYS A 49 -2.646 -1.263 9.605 1.00 0.00 C ATOM 792 C LYS A 49 -2.702 0.155 9.006 1.00 0.00 C ATOM 793 O LYS A 49 -3.448 1.026 9.480 1.00 0.00 O ATOM 794 CB LYS A 49 -1.443 -1.459 10.589 1.00 0.00 C ATOM 795 CG LYS A 49 -0.081 -1.190 10.053 1.00 0.00 C ATOM 796 CD LYS A 49 0.992 -1.550 11.074 1.00 0.00 C ATOM 797 CE LYS A 49 2.354 -0.993 10.688 1.00 0.00 C ATOM 798 NZ LYS A 49 3.407 -1.409 11.629 1.00 0.00 N ATOM 0 H LYS A 49 -1.747 -2.768 8.453 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.552 -1.393 10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.602 -0.811 11.451 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.467 -2.486 10.953 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.074 -1.765 9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.006 -0.137 9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.706 -1.164 12.052 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.056 -2.634 11.166 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.612 -1.329 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.305 0.095 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.319 -1.008 11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.175 -1.066 12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.472 -2.447 11.640 1.00 0.00 H new ATOM 812 N VAL A 50 -1.967 0.351 7.931 1.00 0.00 N ATOM 813 CA VAL A 50 -1.929 1.620 7.241 1.00 0.00 C ATOM 814 C VAL A 50 -3.252 1.902 6.545 1.00 0.00 C ATOM 815 O VAL A 50 -3.828 2.992 6.707 1.00 0.00 O ATOM 816 CB VAL A 50 -0.746 1.673 6.249 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.842 2.863 5.320 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.553 1.739 7.024 1.00 0.00 C ATOM 0 H VAL A 50 -1.378 -0.368 7.511 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.774 2.404 7.982 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.779 0.771 5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.009 2.863 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.766 2.803 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.838 3.783 5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.391 1.777 6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.559 2.633 7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.645 0.855 7.655 1.00 0.00 H new ATOM 828 N GLU A 51 -3.754 0.914 5.821 1.00 0.00 N ATOM 829 CA GLU A 51 -5.019 1.048 5.140 1.00 0.00 C ATOM 830 C GLU A 51 -6.126 1.306 6.127 1.00 0.00 C ATOM 831 O GLU A 51 -7.014 2.103 5.877 1.00 0.00 O ATOM 832 CB GLU A 51 -5.332 -0.168 4.314 1.00 0.00 C ATOM 833 CG GLU A 51 -4.415 -0.301 3.127 1.00 0.00 C ATOM 834 CD GLU A 51 -4.470 0.870 2.209 1.00 0.00 C ATOM 835 OE1 GLU A 51 -3.724 1.890 2.427 1.00 0.00 O ATOM 836 OE2 GLU A 51 -5.177 0.771 1.244 1.00 0.00 O ATOM 0 H GLU A 51 -3.298 0.010 5.694 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.941 1.901 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.249 -1.059 4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.365 -0.115 3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.392 -0.430 3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.678 -1.202 2.572 1.00 0.00 H new ATOM 843 N GLY A 52 -6.030 0.652 7.279 1.00 0.00 N ATOM 844 CA GLY A 52 -6.981 0.841 8.348 1.00 0.00 C ATOM 845 C GLY A 52 -6.987 2.263 8.858 1.00 0.00 C ATOM 846 O GLY A 52 -8.052 2.822 9.150 1.00 0.00 O ATOM 0 H GLY A 52 -5.291 -0.019 7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.979 0.578 7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.744 0.163 9.168 1.00 0.00 H new ATOM 850 N ASP A 53 -5.808 2.855 8.947 1.00 0.00 N ATOM 851 CA ASP A 53 -5.661 4.252 9.370 1.00 0.00 C ATOM 852 C ASP A 53 -6.405 5.179 8.418 1.00 0.00 C ATOM 853 O ASP A 53 -7.249 5.975 8.841 1.00 0.00 O ATOM 854 CB ASP A 53 -4.191 4.642 9.406 1.00 0.00 C ATOM 855 CG ASP A 53 -3.963 6.060 9.937 1.00 0.00 C ATOM 856 OD1 ASP A 53 -3.894 6.245 11.169 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.824 7.011 9.132 1.00 0.00 O ATOM 0 H ASP A 53 -4.926 2.391 8.731 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.085 4.350 10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.648 3.934 10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.775 4.564 8.401 1.00 0.00 H new ATOM 862 N MET A 54 -6.114 5.042 7.133 1.00 0.00 N ATOM 863 CA MET A 54 -6.766 5.861 6.092 1.00 0.00 C ATOM 864 C MET A 54 -8.221 5.546 5.900 1.00 0.00 C ATOM 865 O MET A 54 -8.998 6.427 5.556 1.00 0.00 O ATOM 866 CB MET A 54 -5.999 5.903 4.763 1.00 0.00 C ATOM 867 CG MET A 54 -5.369 4.628 4.331 1.00 0.00 C ATOM 868 SD MET A 54 -3.681 4.929 3.721 1.00 0.00 S ATOM 869 CE MET A 54 -2.909 5.698 5.150 1.00 0.00 C ATOM 0 H MET A 54 -5.432 4.374 6.774 1.00 0.00 H new ATOM 0 HA MET A 54 -6.727 6.875 6.489 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.685 6.229 3.981 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.220 6.662 4.840 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.341 3.928 5.166 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.969 4.166 3.547 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.828 5.568 5.094 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.147 6.762 5.163 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.283 5.231 6.061 1.00 0.00 H new ATOM 879 N TYR A 55 -8.592 4.313 6.143 1.00 0.00 N ATOM 880 CA TYR A 55 -9.973 3.889 6.094 1.00 0.00 C ATOM 881 C TYR A 55 -10.758 4.697 7.131 1.00 0.00 C ATOM 882 O TYR A 55 -11.771 5.288 6.834 1.00 0.00 O ATOM 883 CB TYR A 55 -10.018 2.383 6.405 1.00 0.00 C ATOM 884 CG TYR A 55 -11.373 1.734 6.440 1.00 0.00 C ATOM 885 CD1 TYR A 55 -12.101 1.692 7.615 1.00 0.00 C ATOM 886 CD2 TYR A 55 -11.907 1.129 5.313 1.00 0.00 C ATOM 887 CE1 TYR A 55 -13.327 1.076 7.671 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.132 0.501 5.362 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.838 0.480 6.545 1.00 0.00 C ATOM 890 OH TYR A 55 -15.052 -0.155 6.605 1.00 0.00 O ATOM 0 H TYR A 55 -7.939 3.567 6.383 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.417 4.059 5.113 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.413 1.865 5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.540 2.222 7.371 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.698 2.152 8.505 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.356 1.150 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.886 1.061 8.595 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.536 0.028 4.479 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.272 -0.524 5.724 1.00 0.00 H new ATOM 900 N GLU A 56 -10.208 4.773 8.323 1.00 0.00 N ATOM 901 CA GLU A 56 -10.827 5.513 9.417 1.00 0.00 C ATOM 902 C GLU A 56 -10.624 7.024 9.284 1.00 0.00 C ATOM 903 O GLU A 56 -11.337 7.810 9.913 1.00 0.00 O ATOM 904 CB GLU A 56 -10.287 5.022 10.754 1.00 0.00 C ATOM 905 CG GLU A 56 -10.823 3.669 11.170 1.00 0.00 C ATOM 906 CD GLU A 56 -12.274 3.745 11.567 1.00 0.00 C ATOM 907 OE1 GLU A 56 -13.161 3.652 10.701 1.00 0.00 O ATOM 908 OE2 GLU A 56 -12.555 3.950 12.759 1.00 0.00 O ATOM 0 H GLU A 56 -9.323 4.328 8.567 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.900 5.327 9.369 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.200 4.970 10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.533 5.752 11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.707 2.963 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.236 3.286 12.005 1.00 0.00 H new ATOM 915 N SER A 57 -9.652 7.416 8.498 1.00 0.00 N ATOM 916 CA SER A 57 -9.353 8.816 8.284 1.00 0.00 C ATOM 917 C SER A 57 -10.345 9.423 7.271 1.00 0.00 C ATOM 918 O SER A 57 -10.671 10.625 7.327 1.00 0.00 O ATOM 919 CB SER A 57 -7.899 8.946 7.772 1.00 0.00 C ATOM 920 OG SER A 57 -7.425 10.284 7.797 1.00 0.00 O ATOM 0 H SER A 57 -9.044 6.776 7.987 1.00 0.00 H new ATOM 0 HA SER A 57 -9.454 9.363 9.222 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.246 8.323 8.383 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.842 8.564 6.753 1.00 0.00 H new ATOM 0 HG SER A 57 -6.503 10.311 7.466 1.00 0.00 H new ATOM 926 N ALA A 58 -10.855 8.593 6.391 1.00 0.00 N ATOM 927 CA ALA A 58 -11.709 9.038 5.325 1.00 0.00 C ATOM 928 C ALA A 58 -13.175 8.974 5.687 1.00 0.00 C ATOM 929 O ALA A 58 -13.573 8.329 6.658 1.00 0.00 O ATOM 930 CB ALA A 58 -11.469 8.210 4.113 1.00 0.00 C ATOM 0 H ALA A 58 -10.686 7.587 6.398 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.463 10.082 5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.118 8.550 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.428 8.307 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.685 7.165 4.337 1.00 0.00 H new ATOM 936 N ASN A 59 -13.980 9.638 4.889 1.00 0.00 N ATOM 937 CA ASN A 59 -15.422 9.653 5.090 1.00 0.00 C ATOM 938 C ASN A 59 -16.130 9.012 3.906 1.00 0.00 C ATOM 939 O ASN A 59 -17.338 9.203 3.697 1.00 0.00 O ATOM 940 CB ASN A 59 -15.933 11.078 5.312 1.00 0.00 C ATOM 941 CG ASN A 59 -15.332 11.766 6.527 1.00 0.00 C ATOM 942 OD1 ASN A 59 -15.851 11.664 7.639 1.00 0.00 O ATOM 943 ND2 ASN A 59 -14.252 12.482 6.325 1.00 0.00 N ATOM 0 H ASN A 59 -13.663 10.181 4.086 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.644 9.073 5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.716 11.673 4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.017 11.052 5.421 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.815 12.977 7.103 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.849 12.544 5.390 1.00 0.00 H new ATOM 950 N SER A 60 -15.376 8.251 3.144 1.00 0.00 N ATOM 951 CA SER A 60 -15.879 7.449 2.058 1.00 0.00 C ATOM 952 C SER A 60 -14.784 6.532 1.633 1.00 0.00 C ATOM 953 O SER A 60 -13.605 6.800 1.912 1.00 0.00 O ATOM 954 CB SER A 60 -16.343 8.283 0.861 1.00 0.00 C ATOM 955 OG SER A 60 -15.282 9.021 0.292 1.00 0.00 O ATOM 0 H SER A 60 -14.367 8.173 3.269 1.00 0.00 H new ATOM 0 HA SER A 60 -16.755 6.904 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.774 7.626 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.132 8.966 1.178 1.00 0.00 H new ATOM 0 HG SER A 60 -15.616 9.539 -0.470 1.00 0.00 H new ATOM 961 N ARG A 61 -15.135 5.449 0.981 1.00 0.00 N ATOM 962 CA ARG A 61 -14.115 4.547 0.505 1.00 0.00 C ATOM 963 C ARG A 61 -13.377 5.170 -0.661 1.00 0.00 C ATOM 964 O ARG A 61 -12.204 4.944 -0.850 1.00 0.00 O ATOM 965 CB ARG A 61 -14.627 3.134 0.152 1.00 0.00 C ATOM 966 CG ARG A 61 -15.529 3.005 -1.070 1.00 0.00 C ATOM 967 CD ARG A 61 -16.792 3.761 -0.917 1.00 0.00 C ATOM 968 NE ARG A 61 -17.707 3.470 -2.025 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.659 4.289 -2.508 1.00 0.00 C ATOM 970 NH1 ARG A 61 -19.009 5.386 -1.857 1.00 0.00 N ATOM 971 NH2 ARG A 61 -19.303 3.963 -3.606 1.00 0.00 N ATOM 0 H ARG A 61 -16.095 5.175 0.772 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.428 4.396 1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.761 2.489 0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.169 2.746 1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.997 3.364 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.756 1.953 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.265 3.501 0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.580 4.830 -0.885 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.613 2.559 -2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.555 5.622 -0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.733 5.996 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.080 3.092 -4.088 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.026 4.581 -3.976 1.00 0.00 H new ATOM 985 N ASP A 62 -14.097 5.990 -1.407 1.00 0.00 N ATOM 986 CA ASP A 62 -13.564 6.734 -2.539 1.00 0.00 C ATOM 987 C ASP A 62 -12.428 7.615 -2.057 1.00 0.00 C ATOM 988 O ASP A 62 -11.341 7.598 -2.610 1.00 0.00 O ATOM 989 CB ASP A 62 -14.695 7.595 -3.124 1.00 0.00 C ATOM 990 CG ASP A 62 -14.250 8.557 -4.209 1.00 0.00 C ATOM 991 OD1 ASP A 62 -14.230 8.171 -5.397 1.00 0.00 O ATOM 992 OD2 ASP A 62 -13.936 9.724 -3.890 1.00 0.00 O ATOM 0 H ASP A 62 -15.089 6.162 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.186 6.058 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.463 6.937 -3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -15.157 8.164 -2.317 1.00 0.00 H new ATOM 997 N GLU A 63 -12.683 8.317 -0.969 1.00 0.00 N ATOM 998 CA GLU A 63 -11.712 9.191 -0.350 1.00 0.00 C ATOM 999 C GLU A 63 -10.534 8.434 0.214 1.00 0.00 C ATOM 1000 O GLU A 63 -9.377 8.816 -0.022 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.383 10.017 0.728 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.446 10.843 1.574 1.00 0.00 C ATOM 1003 CD GLU A 63 -12.179 11.872 2.348 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.444 12.971 1.800 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -12.546 11.617 3.505 1.00 0.00 O ATOM 0 H GLU A 63 -13.582 8.294 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.319 9.851 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.106 10.683 0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.944 9.348 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.901 10.192 2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.706 11.325 0.935 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.814 7.354 0.935 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.759 6.601 1.574 1.00 0.00 C ATOM 1014 C TYR A 64 -8.846 6.022 0.524 1.00 0.00 C ATOM 1015 O TYR A 64 -7.635 6.183 0.599 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.338 5.546 2.581 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.092 4.078 2.302 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -10.965 3.345 1.516 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -8.996 3.430 2.839 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -10.747 2.010 1.272 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -8.772 2.095 2.601 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.648 1.391 1.820 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.418 0.073 1.574 1.00 0.00 O ATOM 0 H TYR A 64 -11.754 6.989 1.087 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.149 7.263 2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.932 5.770 3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.416 5.698 2.638 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -11.830 3.830 1.088 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.303 3.982 3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.434 1.451 0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.910 1.604 3.028 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.600 -0.208 2.035 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.457 5.461 -0.503 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.755 4.880 -1.603 1.00 0.00 C ATOM 1035 C TYR A 65 -7.933 5.939 -2.378 1.00 0.00 C ATOM 1036 O TYR A 65 -6.789 5.685 -2.756 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.745 4.071 -2.479 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.242 3.637 -3.804 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.977 3.093 -3.976 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.043 3.784 -4.893 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.543 2.715 -5.214 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.631 3.419 -6.117 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.373 2.882 -6.288 1.00 0.00 C ATOM 1044 OH TYR A 65 -7.953 2.523 -7.539 1.00 0.00 O ATOM 0 H TYR A 65 -10.472 5.402 -0.586 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.010 4.174 -1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.051 3.186 -1.922 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.639 4.675 -2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.329 2.967 -3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.031 4.203 -4.770 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.558 2.290 -5.343 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.285 3.546 -6.967 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.732 2.343 -8.106 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.486 7.132 -2.561 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.748 8.211 -3.245 1.00 0.00 C ATOM 1056 C HIS A 66 -6.492 8.628 -2.497 1.00 0.00 C ATOM 1057 O HIS A 66 -5.384 8.558 -3.042 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.614 9.449 -3.528 1.00 0.00 C ATOM 1059 CG HIS A 66 -9.484 9.336 -4.738 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -10.837 9.561 -4.740 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -9.150 9.078 -6.021 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -11.275 9.438 -5.986 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -10.289 9.143 -6.811 1.00 0.00 N ATOM 0 H HIS A 66 -9.426 7.384 -2.255 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.454 7.779 -4.202 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.245 9.641 -2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.961 10.314 -3.646 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.154 8.856 -6.376 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.305 9.563 -6.286 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.351 8.994 -7.818 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.650 9.007 -1.243 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.535 9.526 -0.459 1.00 0.00 C ATOM 1073 C LEU A 67 -4.456 8.444 -0.224 1.00 0.00 C ATOM 1074 O LEU A 67 -3.233 8.727 -0.209 1.00 0.00 O ATOM 1075 CB LEU A 67 -6.057 10.190 0.861 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.749 9.293 1.913 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.746 8.603 2.791 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.726 10.069 2.769 1.00 0.00 C ATOM 0 H LEU A 67 -7.537 8.967 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.038 10.312 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.210 10.676 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.759 10.976 0.582 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.307 8.541 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.267 7.981 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.096 7.978 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.146 9.348 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.188 9.398 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.197 10.863 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.498 10.506 2.135 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.898 7.200 -0.104 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.990 6.111 0.131 1.00 0.00 C ATOM 1092 C LEU A 68 -3.216 5.802 -1.135 1.00 0.00 C ATOM 1093 O LEU A 68 -2.053 5.372 -1.083 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.743 4.883 0.662 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.454 3.945 -0.300 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.490 2.941 -0.885 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.522 3.243 0.434 1.00 0.00 C ATOM 0 H LEU A 68 -5.880 6.931 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.272 6.400 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.028 4.285 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.488 5.243 1.372 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.876 4.524 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.023 2.281 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.702 3.465 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.048 2.350 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.043 2.565 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.086 2.673 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.228 3.971 0.833 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.864 6.006 -2.262 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.261 5.799 -3.541 1.00 0.00 C ATOM 1111 C ALA A 69 -2.191 6.837 -3.772 1.00 0.00 C ATOM 1112 O ALA A 69 -1.173 6.560 -4.365 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.304 5.836 -4.620 1.00 0.00 C ATOM 0 H ALA A 69 -4.833 6.323 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.793 4.815 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.831 5.677 -5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.039 5.051 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.800 6.807 -4.613 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.413 8.019 -3.264 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.421 9.069 -3.351 1.00 0.00 C ATOM 1121 C GLU A 70 -0.171 8.726 -2.535 1.00 0.00 C ATOM 1122 O GLU A 70 0.971 8.916 -3.013 1.00 0.00 O ATOM 1123 CB GLU A 70 -2.017 10.390 -2.916 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.141 10.839 -3.817 1.00 0.00 C ATOM 1125 CD GLU A 70 -2.677 11.062 -5.231 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -2.072 12.125 -5.518 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -2.873 10.183 -6.080 1.00 0.00 O ATOM 0 H GLU A 70 -3.273 8.284 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.110 9.159 -4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.388 10.299 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.237 11.151 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.933 10.090 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.571 11.761 -3.427 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.371 8.198 -1.319 1.00 0.00 N ATOM 1135 CA LYS A 71 0.779 7.824 -0.488 1.00 0.00 C ATOM 1136 C LYS A 71 1.589 6.675 -1.112 1.00 0.00 C ATOM 1137 O LYS A 71 2.822 6.723 -1.170 1.00 0.00 O ATOM 1138 CB LYS A 71 0.403 7.572 1.021 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.510 6.364 1.387 1.00 0.00 C ATOM 1140 CD LYS A 71 0.222 5.012 1.351 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.541 3.890 2.076 1.00 0.00 C ATOM 1142 NZ LYS A 71 -1.938 3.683 1.596 1.00 0.00 N ATOM 0 H LYS A 71 -1.285 8.025 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 71 1.439 8.692 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.334 7.459 1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.083 8.474 1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.923 6.519 2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.352 6.332 0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.383 4.721 0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.206 5.127 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.012 2.958 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.566 4.115 3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.292 2.768 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.545 4.447 1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.952 3.689 0.556 1.00 0.00 H new ATOM 1156 N ILE A 72 0.895 5.678 -1.635 1.00 0.00 N ATOM 1157 CA ILE A 72 1.567 4.527 -2.219 1.00 0.00 C ATOM 1158 C ILE A 72 2.351 4.951 -3.476 1.00 0.00 C ATOM 1159 O ILE A 72 3.483 4.553 -3.672 1.00 0.00 O ATOM 1160 CB ILE A 72 0.568 3.364 -2.545 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.293 2.133 -2.982 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.424 3.743 -3.557 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.410 1.024 -3.498 1.00 0.00 C ATOM 0 H ILE A 72 -0.124 5.641 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 72 2.269 4.142 -1.479 1.00 0.00 H new ATOM 0 HB ILE A 72 0.034 3.153 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.003 2.405 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.874 1.754 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.091 2.902 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.004 4.593 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.085 4.017 -4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.027 0.174 -3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.283 0.717 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.152 1.379 -4.362 1.00 0.00 H new ATOM 1175 N TYR A 73 1.738 5.819 -4.253 1.00 0.00 N ATOM 1176 CA TYR A 73 2.274 6.349 -5.491 1.00 0.00 C ATOM 1177 C TYR A 73 3.633 7.032 -5.242 1.00 0.00 C ATOM 1178 O TYR A 73 4.674 6.692 -5.889 1.00 0.00 O ATOM 1179 CB TYR A 73 1.230 7.351 -6.020 1.00 0.00 C ATOM 1180 CG TYR A 73 1.545 8.097 -7.284 1.00 0.00 C ATOM 1181 CD1 TYR A 73 2.210 9.297 -7.227 1.00 0.00 C ATOM 1182 CD2 TYR A 73 1.125 7.633 -8.519 1.00 0.00 C ATOM 1183 CE1 TYR A 73 2.461 10.029 -8.372 1.00 0.00 C ATOM 1184 CE2 TYR A 73 1.376 8.344 -9.671 1.00 0.00 C ATOM 1185 CZ TYR A 73 2.040 9.543 -9.595 1.00 0.00 C ATOM 1186 OH TYR A 73 2.294 10.261 -10.744 1.00 0.00 O ATOM 0 H TYR A 73 0.814 6.190 -4.031 1.00 0.00 H new ATOM 0 HA TYR A 73 2.454 5.559 -6.220 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.297 6.810 -6.176 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.045 8.086 -5.236 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.542 9.675 -6.271 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.591 6.696 -8.580 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.982 10.973 -8.311 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.053 7.961 -10.628 1.00 0.00 H new ATOM 0 HH TYR A 73 1.933 9.779 -11.517 1.00 0.00 H new ATOM 1196 N LYS A 74 3.644 7.961 -4.275 1.00 0.00 N ATOM 1197 CA LYS A 74 4.859 8.703 -3.963 1.00 0.00 C ATOM 1198 C LYS A 74 5.934 7.756 -3.427 1.00 0.00 C ATOM 1199 O LYS A 74 7.112 7.938 -3.696 1.00 0.00 O ATOM 1200 CB LYS A 74 4.602 9.859 -2.967 1.00 0.00 C ATOM 1201 CG LYS A 74 4.333 9.420 -1.541 1.00 0.00 C ATOM 1202 CD LYS A 74 4.104 10.598 -0.587 1.00 0.00 C ATOM 1203 CE LYS A 74 2.869 11.419 -0.949 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.652 12.534 0.001 1.00 0.00 N ATOM 0 H LYS A 74 2.834 8.209 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 74 5.212 9.156 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.467 10.523 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.751 10.442 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.458 8.771 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.175 8.828 -1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.999 10.221 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.981 11.245 -0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.980 11.817 -1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.992 10.772 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.804 13.068 -0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.521 12.153 0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.478 13.165 -0.010 1.00 0.00 H new ATOM 1218 N ILE A 75 5.503 6.714 -2.710 1.00 0.00 N ATOM 1219 CA ILE A 75 6.409 5.726 -2.175 1.00 0.00 C ATOM 1220 C ILE A 75 7.085 4.941 -3.295 1.00 0.00 C ATOM 1221 O ILE A 75 8.284 4.654 -3.226 1.00 0.00 O ATOM 1222 CB ILE A 75 5.679 4.763 -1.165 1.00 0.00 C ATOM 1223 CG1 ILE A 75 5.932 5.169 0.295 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.045 3.306 -1.384 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.489 6.562 0.658 1.00 0.00 C ATOM 0 H ILE A 75 4.521 6.543 -2.492 1.00 0.00 H new ATOM 0 HA ILE A 75 7.185 6.254 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 75 4.613 4.866 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.420 4.461 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.999 5.079 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.515 2.685 -0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.764 3.008 -2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.119 3.177 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.711 6.752 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.019 7.285 0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.416 6.658 0.491 1.00 0.00 H new ATOM 1237 N GLN A 76 6.336 4.643 -4.344 1.00 0.00 N ATOM 1238 CA GLN A 76 6.863 3.823 -5.408 1.00 0.00 C ATOM 1239 C GLN A 76 7.921 4.570 -6.180 1.00 0.00 C ATOM 1240 O GLN A 76 8.985 4.037 -6.478 1.00 0.00 O ATOM 1241 CB GLN A 76 5.779 3.319 -6.328 1.00 0.00 C ATOM 1242 CG GLN A 76 4.657 2.596 -5.625 1.00 0.00 C ATOM 1243 CD GLN A 76 3.776 1.838 -6.574 1.00 0.00 C ATOM 1244 OE1 GLN A 76 4.222 1.363 -7.614 1.00 0.00 O ATOM 1245 NE2 GLN A 76 2.529 1.733 -6.248 1.00 0.00 N ATOM 0 H GLN A 76 5.374 4.955 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 76 7.321 2.948 -4.947 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.364 4.163 -6.878 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.224 2.648 -7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.077 1.905 -4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.054 3.317 -5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.194 2.141 -5.375 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.880 1.242 -6.864 1.00 0.00 H new ATOM 1254 N LYS A 77 7.658 5.815 -6.480 1.00 0.00 N ATOM 1255 CA LYS A 77 8.680 6.601 -7.144 1.00 0.00 C ATOM 1256 C LYS A 77 9.860 6.934 -6.228 1.00 0.00 C ATOM 1257 O LYS A 77 10.993 7.056 -6.698 1.00 0.00 O ATOM 1258 CB LYS A 77 8.096 7.793 -7.861 1.00 0.00 C ATOM 1259 CG LYS A 77 7.068 8.562 -7.082 1.00 0.00 C ATOM 1260 CD LYS A 77 6.052 9.202 -8.010 1.00 0.00 C ATOM 1261 CE LYS A 77 5.215 8.156 -8.819 1.00 0.00 C ATOM 1262 NZ LYS A 77 5.857 7.637 -10.069 1.00 0.00 N ATOM 0 H LYS A 77 6.781 6.298 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 77 9.111 5.975 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.907 8.470 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.644 7.452 -8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.560 7.895 -6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.558 9.332 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.376 9.825 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.570 9.861 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.996 7.310 -8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.260 8.609 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.156 7.616 -10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.646 8.259 -10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.216 6.675 -9.902 1.00 0.00 H new ATOM 1276 N GLU A 78 9.595 7.016 -4.921 1.00 0.00 N ATOM 1277 CA GLU A 78 10.639 7.223 -3.922 1.00 0.00 C ATOM 1278 C GLU A 78 11.609 6.043 -3.973 1.00 0.00 C ATOM 1279 O GLU A 78 12.829 6.221 -4.057 1.00 0.00 O ATOM 1280 CB GLU A 78 10.030 7.251 -2.522 1.00 0.00 C ATOM 1281 CG GLU A 78 10.986 7.702 -1.423 1.00 0.00 C ATOM 1282 CD GLU A 78 11.206 9.201 -1.374 1.00 0.00 C ATOM 1283 OE1 GLU A 78 10.887 9.910 -2.337 1.00 0.00 O ATOM 1284 OE2 GLU A 78 11.713 9.710 -0.353 1.00 0.00 O ATOM 0 H GLU A 78 8.656 6.941 -4.531 1.00 0.00 H new ATOM 0 HA GLU A 78 11.144 8.166 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.166 7.915 -2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.663 6.254 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.598 7.370 -0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.947 7.209 -1.567 1.00 0.00 H new ATOM 1291 N LEU A 79 11.044 4.832 -3.947 1.00 0.00 N ATOM 1292 CA LEU A 79 11.828 3.613 -3.923 1.00 0.00 C ATOM 1293 C LEU A 79 12.632 3.438 -5.193 1.00 0.00 C ATOM 1294 O LEU A 79 13.810 3.051 -5.135 1.00 0.00 O ATOM 1295 CB LEU A 79 10.959 2.366 -3.584 1.00 0.00 C ATOM 1296 CG LEU A 79 9.862 1.929 -4.578 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.400 1.090 -5.724 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.783 1.186 -3.884 1.00 0.00 C ATOM 0 H LEU A 79 10.036 4.679 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 79 12.550 3.709 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.634 1.521 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.479 2.550 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 79 9.460 2.848 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.581 0.814 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.140 1.665 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.865 0.188 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.023 0.889 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.200 0.297 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.332 1.824 -3.124 1.00 0.00 H new ATOM 1310 N GLU A 80 12.023 3.762 -6.318 1.00 0.00 N ATOM 1311 CA GLU A 80 12.681 3.638 -7.591 1.00 0.00 C ATOM 1312 C GLU A 80 13.894 4.534 -7.697 1.00 0.00 C ATOM 1313 O GLU A 80 14.983 4.059 -8.007 1.00 0.00 O ATOM 1314 CB GLU A 80 11.718 3.859 -8.747 1.00 0.00 C ATOM 1315 CG GLU A 80 10.775 2.694 -8.989 1.00 0.00 C ATOM 1316 CD GLU A 80 9.903 2.908 -10.188 1.00 0.00 C ATOM 1317 OE1 GLU A 80 10.438 3.220 -11.270 1.00 0.00 O ATOM 1318 OE2 GLU A 80 8.666 2.792 -10.081 1.00 0.00 O ATOM 0 H GLU A 80 11.067 4.115 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 80 13.040 2.611 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.130 4.756 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.291 4.045 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.356 1.781 -9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.149 2.547 -8.109 1.00 0.00 H new ATOM 1325 N GLU A 81 13.744 5.803 -7.381 1.00 0.00 N ATOM 1326 CA GLU A 81 14.868 6.706 -7.489 1.00 0.00 C ATOM 1327 C GLU A 81 15.914 6.482 -6.398 1.00 0.00 C ATOM 1328 O GLU A 81 17.100 6.689 -6.638 1.00 0.00 O ATOM 1329 CB GLU A 81 14.460 8.163 -7.572 1.00 0.00 C ATOM 1330 CG GLU A 81 13.701 8.680 -6.387 1.00 0.00 C ATOM 1331 CD GLU A 81 13.430 10.140 -6.526 1.00 0.00 C ATOM 1332 OE1 GLU A 81 12.521 10.523 -7.266 1.00 0.00 O ATOM 1333 OE2 GLU A 81 14.156 10.952 -5.916 1.00 0.00 O ATOM 0 H GLU A 81 12.875 6.225 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 81 15.338 6.459 -8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 81 15.357 8.768 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.849 8.303 -8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.760 8.139 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 81 14.271 8.497 -5.476 1.00 0.00 H new ATOM 1340 N LYS A 82 15.483 6.063 -5.203 1.00 0.00 N ATOM 1341 CA LYS A 82 16.422 5.811 -4.106 1.00 0.00 C ATOM 1342 C LYS A 82 17.330 4.629 -4.473 1.00 0.00 C ATOM 1343 O LYS A 82 18.513 4.595 -4.114 1.00 0.00 O ATOM 1344 CB LYS A 82 15.662 5.575 -2.751 1.00 0.00 C ATOM 1345 CG LYS A 82 15.031 4.187 -2.556 1.00 0.00 C ATOM 1346 CD LYS A 82 15.971 3.247 -1.781 1.00 0.00 C ATOM 1347 CE LYS A 82 15.823 1.761 -2.155 1.00 0.00 C ATOM 1348 NZ LYS A 82 14.450 1.216 -2.031 1.00 0.00 N ATOM 0 H LYS A 82 14.504 5.893 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 82 17.048 6.691 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.360 5.752 -1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.874 6.324 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.088 4.286 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.799 3.751 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.002 3.554 -1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.783 3.362 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.160 1.626 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.489 1.175 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.484 0.177 -2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.038 1.516 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.863 1.572 -2.812 1.00 0.00 H new ATOM 1362 N ARG A 83 16.751 3.667 -5.182 1.00 0.00 N ATOM 1363 CA ARG A 83 17.460 2.495 -5.648 1.00 0.00 C ATOM 1364 C ARG A 83 18.309 2.848 -6.871 1.00 0.00 C ATOM 1365 O ARG A 83 19.430 2.362 -7.030 1.00 0.00 O ATOM 1366 CB ARG A 83 16.446 1.400 -6.012 1.00 0.00 C ATOM 1367 CG ARG A 83 17.049 0.057 -6.397 1.00 0.00 C ATOM 1368 CD ARG A 83 17.713 -0.624 -5.211 1.00 0.00 C ATOM 1369 NE ARG A 83 18.295 -1.907 -5.593 1.00 0.00 N ATOM 1370 CZ ARG A 83 18.255 -3.034 -4.872 1.00 0.00 C ATOM 1371 NH1 ARG A 83 17.623 -3.077 -3.700 1.00 0.00 N ATOM 1372 NH2 ARG A 83 18.847 -4.127 -5.339 1.00 0.00 N ATOM 0 H ARG A 83 15.767 3.685 -5.449 1.00 0.00 H new ATOM 0 HA ARG A 83 18.118 2.132 -4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.778 1.250 -5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.834 1.756 -6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.269 -0.590 -6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 83 17.782 0.202 -7.190 1.00 0.00 H new ATOM 0 HD2 ARG A 83 18.490 0.024 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.980 -0.776 -4.419 1.00 0.00 H new ATOM 0 HE ARG A 83 18.776 -1.948 -6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.160 -2.243 -3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.602 -3.944 -3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.326 -4.102 -6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.823 -4.991 -4.798 1.00 0.00 H new ATOM 1649 N LEU B 114 11.280 2.930 3.354 1.00 0.00 N ATOM 1650 CA LEU B 114 11.302 2.137 2.143 1.00 0.00 C ATOM 1651 C LEU B 114 12.658 1.478 1.938 1.00 0.00 C ATOM 1652 O LEU B 114 12.746 0.410 1.372 1.00 0.00 O ATOM 1653 CB LEU B 114 10.898 2.953 0.923 1.00 0.00 C ATOM 1654 CG LEU B 114 9.710 2.409 0.121 1.00 0.00 C ATOM 1655 CD1 LEU B 114 10.007 1.025 -0.443 1.00 0.00 C ATOM 1656 CD2 LEU B 114 8.469 2.367 0.998 1.00 0.00 C ATOM 0 HA LEU B 114 10.561 1.347 2.264 1.00 0.00 H new ATOM 0 HB2 LEU B 114 10.659 3.965 1.249 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.758 3.027 0.258 1.00 0.00 H new ATOM 0 HG LEU B 114 9.533 3.079 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.144 0.669 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU B 114 10.873 1.079 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU B 114 10.216 0.336 0.375 1.00 0.00 H new ATOM 0 HD21 LEU B 114 7.629 1.979 0.421 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.651 1.718 1.855 1.00 0.00 H new ATOM 0 HD23 LEU B 114 8.236 3.373 1.347 1.00 0.00 H new ATOM 1668 N LEU B 115 13.713 2.130 2.378 1.00 0.00 N ATOM 1669 CA LEU B 115 15.050 1.540 2.327 1.00 0.00 C ATOM 1670 C LEU B 115 15.121 0.353 3.294 1.00 0.00 C ATOM 1671 O LEU B 115 15.643 -0.713 2.962 1.00 0.00 O ATOM 1672 CB LEU B 115 16.119 2.583 2.684 1.00 0.00 C ATOM 1673 CG LEU B 115 17.580 2.131 2.576 1.00 0.00 C ATOM 1674 CD1 LEU B 115 17.929 1.765 1.140 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.511 3.212 3.096 1.00 0.00 C ATOM 0 H LEU B 115 13.679 3.068 2.776 1.00 0.00 H new ATOM 0 HA LEU B 115 15.244 1.192 1.312 1.00 0.00 H new ATOM 0 HB2 LEU B 115 15.981 3.448 2.036 1.00 0.00 H new ATOM 0 HB3 LEU B 115 15.940 2.918 3.706 1.00 0.00 H new ATOM 0 HG LEU B 115 17.708 1.241 3.192 1.00 0.00 H new ATOM 0 HD11 LEU B 115 18.970 1.447 1.088 1.00 0.00 H new ATOM 0 HD12 LEU B 115 17.285 0.952 0.805 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.782 2.633 0.497 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.544 2.874 3.012 1.00 0.00 H new ATOM 0 HD22 LEU B 115 18.377 4.121 2.509 1.00 0.00 H new ATOM 0 HD23 LEU B 115 18.281 3.418 4.141 1.00 0.00 H new ATOM 1687 N THR B 116 14.541 0.534 4.462 1.00 0.00 N ATOM 1688 CA THR B 116 14.512 -0.498 5.476 1.00 0.00 C ATOM 1689 C THR B 116 13.662 -1.704 4.992 1.00 0.00 C ATOM 1690 O THR B 116 14.030 -2.872 5.189 1.00 0.00 O ATOM 1691 CB THR B 116 13.952 0.078 6.806 1.00 0.00 C ATOM 1692 OG1 THR B 116 14.694 1.280 7.151 1.00 0.00 O ATOM 1693 CG2 THR B 116 14.090 -0.931 7.941 1.00 0.00 C ATOM 0 H THR B 116 14.077 1.400 4.735 1.00 0.00 H new ATOM 0 HA THR B 116 15.528 -0.850 5.655 1.00 0.00 H new ATOM 0 HB THR B 116 12.895 0.304 6.668 1.00 0.00 H new ATOM 0 HG1 THR B 116 14.345 1.651 7.989 1.00 0.00 H new ATOM 0 HG21 THR B 116 13.690 -0.502 8.860 1.00 0.00 H new ATOM 0 HG22 THR B 116 13.536 -1.836 7.692 1.00 0.00 H new ATOM 0 HG23 THR B 116 15.142 -1.177 8.083 1.00 0.00 H new ATOM 1701 N SER B 117 12.563 -1.407 4.323 1.00 0.00 N ATOM 1702 CA SER B 117 11.690 -2.427 3.786 1.00 0.00 C ATOM 1703 C SER B 117 12.272 -3.043 2.491 1.00 0.00 C ATOM 1704 O SER B 117 11.934 -4.155 2.106 1.00 0.00 O ATOM 1705 CB SER B 117 10.317 -1.837 3.575 1.00 0.00 C ATOM 1706 OG SER B 117 9.856 -1.266 4.800 1.00 0.00 O ATOM 0 H SER B 117 12.253 -0.453 4.138 1.00 0.00 H new ATOM 0 HA SER B 117 11.608 -3.248 4.498 1.00 0.00 H new ATOM 0 HB2 SER B 117 10.351 -1.076 2.796 1.00 0.00 H new ATOM 0 HB3 SER B 117 9.625 -2.608 3.237 1.00 0.00 H new ATOM 0 HG SER B 117 9.144 -0.619 4.612 1.00 0.00 H new ATOM 1712 N ASP B 118 13.172 -2.316 1.861 1.00 0.00 N ATOM 1713 CA ASP B 118 13.901 -2.788 0.680 1.00 0.00 C ATOM 1714 C ASP B 118 14.804 -3.937 1.106 1.00 0.00 C ATOM 1715 O ASP B 118 14.801 -5.025 0.512 1.00 0.00 O ATOM 1716 CB ASP B 118 14.747 -1.627 0.122 1.00 0.00 C ATOM 1717 CG ASP B 118 15.554 -1.950 -1.108 1.00 0.00 C ATOM 1718 OD1 ASP B 118 16.598 -2.610 -0.999 1.00 0.00 O ATOM 1719 OD2 ASP B 118 15.184 -1.468 -2.197 1.00 0.00 O ATOM 0 H ASP B 118 13.427 -1.371 2.149 1.00 0.00 H new ATOM 0 HA ASP B 118 13.212 -3.130 -0.092 1.00 0.00 H new ATOM 0 HB2 ASP B 118 14.083 -0.794 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.427 -1.287 0.903 1.00 0.00 H new ATOM 1958 N MET B 141 -12.232 -1.531 -12.154 1.00 0.00 N ATOM 1959 CA MET B 141 -11.450 -0.358 -11.839 1.00 0.00 C ATOM 1960 C MET B 141 -10.121 -0.405 -12.575 1.00 0.00 C ATOM 1961 O MET B 141 -9.398 0.554 -12.571 1.00 0.00 O ATOM 1962 CB MET B 141 -11.270 -0.241 -10.332 1.00 0.00 C ATOM 1963 CG MET B 141 -10.846 1.123 -9.820 1.00 0.00 C ATOM 1964 SD MET B 141 -11.223 1.316 -8.067 1.00 0.00 S ATOM 1965 CE MET B 141 -10.171 0.062 -7.346 1.00 0.00 C ATOM 0 HA MET B 141 -11.976 0.536 -12.175 1.00 0.00 H new ATOM 0 HB2 MET B 141 -12.210 -0.512 -9.851 1.00 0.00 H new ATOM 0 HB3 MET B 141 -10.527 -0.973 -10.016 1.00 0.00 H new ATOM 0 HG2 MET B 141 -9.776 1.257 -9.980 1.00 0.00 H new ATOM 0 HG3 MET B 141 -11.353 1.901 -10.390 1.00 0.00 H new ATOM 0 HE1 MET B 141 -10.322 0.037 -6.267 1.00 0.00 H new ATOM 0 HE2 MET B 141 -10.421 -0.911 -7.770 1.00 0.00 H new ATOM 0 HE3 MET B 141 -9.128 0.294 -7.561 1.00 0.00 H new ATOM 1975 N GLU B 142 -9.846 -1.568 -13.190 1.00 0.00 N ATOM 1976 CA GLU B 142 -8.610 -1.915 -13.960 1.00 0.00 C ATOM 1977 C GLU B 142 -7.692 -0.739 -14.368 1.00 0.00 C ATOM 1978 O GLU B 142 -6.618 -0.564 -13.793 1.00 0.00 O ATOM 1979 CB GLU B 142 -8.978 -2.735 -15.199 1.00 0.00 C ATOM 1980 CG GLU B 142 -9.479 -4.131 -14.893 1.00 0.00 C ATOM 1981 CD GLU B 142 -8.431 -4.956 -14.193 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -7.459 -5.384 -14.848 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -8.552 -5.177 -12.971 1.00 0.00 O ATOM 0 H GLU B 142 -10.509 -2.343 -13.170 1.00 0.00 H new ATOM 0 HA GLU B 142 -8.013 -2.492 -13.254 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -9.745 -2.201 -15.760 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -8.103 -2.808 -15.845 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -10.371 -4.069 -14.269 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -9.772 -4.624 -15.820 1.00 0.00 H new ATOM 1990 N SER B 143 -8.112 0.064 -15.315 1.00 0.00 N ATOM 1991 CA SER B 143 -7.263 1.123 -15.824 1.00 0.00 C ATOM 1992 C SER B 143 -7.078 2.239 -14.797 1.00 0.00 C ATOM 1993 O SER B 143 -5.960 2.750 -14.602 1.00 0.00 O ATOM 1994 CB SER B 143 -7.835 1.643 -17.133 1.00 0.00 C ATOM 1995 OG SER B 143 -8.012 0.553 -18.033 1.00 0.00 O ATOM 0 H SER B 143 -9.033 0.008 -15.750 1.00 0.00 H new ATOM 0 HA SER B 143 -6.269 0.719 -16.016 1.00 0.00 H new ATOM 0 HB2 SER B 143 -8.788 2.141 -16.955 1.00 0.00 H new ATOM 0 HB3 SER B 143 -7.164 2.384 -17.568 1.00 0.00 H new ATOM 0 HG SER B 143 -8.382 0.883 -18.878 1.00 0.00 H new ATOM 2001 N ILE B 144 -8.145 2.545 -14.090 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.133 3.596 -13.098 1.00 0.00 C ATOM 2003 C ILE B 144 -7.225 3.212 -11.923 1.00 0.00 C ATOM 2004 O ILE B 144 -6.383 4.001 -11.506 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.568 3.910 -12.584 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.463 4.375 -13.742 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -9.533 4.961 -11.484 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -11.891 4.682 -13.329 1.00 0.00 C ATOM 0 H ILE B 144 -9.044 2.072 -14.187 1.00 0.00 H new ATOM 0 HA ILE B 144 -7.741 4.495 -13.573 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.987 2.995 -12.166 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.025 5.266 -14.192 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -10.475 3.603 -14.512 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.548 5.163 -11.141 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -8.935 4.595 -10.650 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -9.091 5.879 -11.872 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -12.461 5.004 -14.201 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -12.348 3.787 -12.907 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -11.891 5.476 -12.582 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.363 1.980 -11.443 1.00 0.00 N ATOM 2021 CA ILE B 145 -6.583 1.506 -10.312 1.00 0.00 C ATOM 2022 C ILE B 145 -5.112 1.427 -10.681 1.00 0.00 C ATOM 2023 O ILE B 145 -4.252 1.779 -9.885 1.00 0.00 O ATOM 2024 CB ILE B 145 -7.099 0.138 -9.720 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -6.308 -0.238 -8.464 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -7.039 -0.994 -10.737 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -6.786 -1.498 -7.785 1.00 0.00 C ATOM 0 H ILE B 145 -8.012 1.291 -11.824 1.00 0.00 H new ATOM 0 HA ILE B 145 -6.712 2.238 -9.515 1.00 0.00 H new ATOM 0 HB ILE B 145 -8.147 0.282 -9.456 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -5.258 -0.359 -8.732 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -6.362 0.587 -7.754 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -7.405 -1.913 -10.280 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -7.660 -0.744 -11.597 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -6.009 -1.136 -11.063 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -6.173 -1.692 -6.905 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -7.826 -1.376 -7.483 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -6.705 -2.337 -8.476 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.831 1.029 -11.918 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.468 0.949 -12.384 1.00 0.00 C ATOM 2041 C ARG B 146 -2.841 2.350 -12.325 1.00 0.00 C ATOM 2042 O ARG B 146 -1.816 2.553 -11.670 1.00 0.00 O ATOM 2043 CB ARG B 146 -3.425 0.340 -13.823 1.00 0.00 C ATOM 2044 CG ARG B 146 -2.030 -0.070 -14.344 1.00 0.00 C ATOM 2045 CD ARG B 146 -1.159 1.111 -14.764 1.00 0.00 C ATOM 2046 NE ARG B 146 0.240 0.710 -14.930 1.00 0.00 N ATOM 2047 CZ ARG B 146 1.229 1.476 -15.396 1.00 0.00 C ATOM 2048 NH1 ARG B 146 0.963 2.633 -15.994 1.00 0.00 N ATOM 2049 NH2 ARG B 146 2.490 1.063 -15.285 1.00 0.00 N ATOM 0 H ARG B 146 -5.533 0.759 -12.607 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.885 0.287 -11.744 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -4.071 -0.538 -13.844 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.851 1.066 -14.516 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -1.513 -0.633 -13.567 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -2.152 -0.740 -15.195 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -1.533 1.527 -15.699 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.227 1.900 -14.015 1.00 0.00 H new ATOM 0 HE ARG B 146 0.481 -0.245 -14.664 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -0.003 2.942 -16.100 1.00 0.00 H new ATOM 0 HH12 ARG B 146 1.725 3.212 -16.347 1.00 0.00 H new ATOM 0 HH21 ARG B 146 2.696 0.166 -14.846 1.00 0.00 H new ATOM 0 HH22 ARG B 146 3.250 1.644 -15.639 1.00 0.00 H new ATOM 2063 N SER B 147 -3.511 3.309 -12.931 1.00 0.00 N ATOM 2064 CA SER B 147 -3.004 4.660 -13.029 1.00 0.00 C ATOM 2065 C SER B 147 -2.965 5.383 -11.662 1.00 0.00 C ATOM 2066 O SER B 147 -1.903 5.885 -11.246 1.00 0.00 O ATOM 2067 CB SER B 147 -3.857 5.453 -14.033 1.00 0.00 C ATOM 2068 OG SER B 147 -3.335 6.751 -14.266 1.00 0.00 O ATOM 0 H SER B 147 -4.422 3.172 -13.369 1.00 0.00 H new ATOM 0 HA SER B 147 -1.973 4.603 -13.379 1.00 0.00 H new ATOM 0 HB2 SER B 147 -3.907 4.908 -14.976 1.00 0.00 H new ATOM 0 HB3 SER B 147 -4.877 5.535 -13.657 1.00 0.00 H new ATOM 0 HG SER B 147 -3.904 7.222 -14.910 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.089 5.423 -10.967 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.191 6.185 -9.742 1.00 0.00 C ATOM 2076 C GLU B 148 -3.626 5.495 -8.496 1.00 0.00 C ATOM 2077 O GLU B 148 -3.030 6.175 -7.650 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.591 6.752 -9.528 1.00 0.00 C ATOM 2079 CG GLU B 148 -5.981 7.783 -10.582 1.00 0.00 C ATOM 2080 CD GLU B 148 -7.282 8.495 -10.281 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -7.259 9.521 -9.556 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -8.343 8.069 -10.779 1.00 0.00 O ATOM 0 H GLU B 148 -4.944 4.934 -11.234 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.522 7.032 -9.891 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.314 5.936 -9.540 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -5.645 7.211 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -5.184 8.521 -10.668 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -6.063 7.288 -11.550 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.798 4.177 -8.372 1.00 0.00 N ATOM 2090 CA LEU B 149 -3.245 3.456 -7.215 1.00 0.00 C ATOM 2091 C LEU B 149 -1.802 3.089 -7.478 1.00 0.00 C ATOM 2092 O LEU B 149 -1.029 2.877 -6.544 1.00 0.00 O ATOM 2093 CB LEU B 149 -4.053 2.199 -6.847 1.00 0.00 C ATOM 2094 CG LEU B 149 -3.549 1.425 -5.610 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -3.700 2.237 -4.351 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -4.235 0.103 -5.457 1.00 0.00 C ATOM 0 H LEU B 149 -4.303 3.595 -9.040 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.308 4.130 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -5.089 2.492 -6.674 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -4.051 1.524 -7.702 1.00 0.00 H new ATOM 0 HG LEU B 149 -2.488 1.236 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -3.335 1.661 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -3.123 3.157 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -4.751 2.481 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -3.849 -0.407 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -5.308 0.261 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -4.048 -0.508 -6.340 1.00 0.00 H new