USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 340 hydrogens (28 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: A 17 DPR H : A 17 DPR N : A 16 THR C :(H bumps) USER MOD NoAdj-H: A 27 DPR H : A 27 DPR N : A 26 LEU C :(H bumps) USER MOD NoAdj-H: B 17 DPR H : B 17 DPR N : B 16 THR C :(H bumps) USER MOD NoAdj-H: B 27 DPR H : B 27 DPR N : B 26 LEU C :(H bumps) USER MOD Set 1.1: A 20 GLN :FLIP amide:sc= -1.34! F(o=-2.2,f=-0.88!) USER MOD Set 1.2: B 29 TYR OH : rot -16:sc= 0.462 USER MOD Set 2.1: B 15 ASN :FLIP amide:sc= -0.015 F(o=-0.98,f=-0.13) USER MOD Set 2.2: B 20 GLN : amide:sc= -0.115 K(o=-0.13,f=-2.1!) USER MOD Single : A 12 THR OG1 : rot 42:sc= 0.252 USER MOD Single : A 15 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.8!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 41:sc= 0.0162 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HE2:sc= 0 K(o=0,f=-1.6) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 12 19.621 -2.013 -19.692 1.00 0.00 N ATOM 2 CA THR A 12 20.059 -0.733 -19.165 1.00 0.00 C ATOM 3 C THR A 12 19.227 -0.346 -17.941 1.00 0.00 C ATOM 4 O THR A 12 18.054 -0.703 -17.847 1.00 0.00 O ATOM 5 CB THR A 12 19.988 0.294 -20.297 1.00 0.00 C ATOM 6 OG1 THR A 12 20.889 -0.209 -21.279 1.00 0.00 O ATOM 7 CG2 THR A 12 20.586 1.646 -19.900 1.00 0.00 C ATOM 0 HA THR A 12 21.090 -0.782 -18.815 1.00 0.00 H new ATOM 0 HB THR A 12 18.949 0.431 -20.598 1.00 0.00 H new ATOM 0 HG1 THR A 12 20.776 -1.179 -21.360 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.510 2.338 -20.739 1.00 0.00 H new ATOM 0 HG22 THR A 12 20.040 2.049 -19.047 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.634 1.515 -19.631 1.00 0.00 H new ATOM 15 N ALA A 13 19.865 0.379 -17.034 1.00 0.00 N ATOM 16 CA ALA A 13 19.199 0.817 -15.820 1.00 0.00 C ATOM 17 C ALA A 13 19.671 2.228 -15.465 1.00 0.00 C ATOM 18 O ALA A 13 20.334 2.428 -14.449 1.00 0.00 O ATOM 19 CB ALA A 13 19.467 -0.188 -14.698 1.00 0.00 C ATOM 0 H ALA A 13 20.838 0.674 -17.116 1.00 0.00 H new ATOM 0 HA ALA A 13 18.120 0.858 -15.968 1.00 0.00 H new ATOM 0 HB1 ALA A 13 18.967 0.141 -13.787 1.00 0.00 H new ATOM 0 HB2 ALA A 13 19.085 -1.167 -14.988 1.00 0.00 H new ATOM 0 HB3 ALA A 13 20.540 -0.255 -14.519 1.00 0.00 H new ATOM 25 N LEU A 14 19.309 3.171 -16.323 1.00 0.00 N ATOM 26 CA LEU A 14 19.688 4.559 -16.112 1.00 0.00 C ATOM 27 C LEU A 14 18.525 5.467 -16.518 1.00 0.00 C ATOM 28 O LEU A 14 17.842 5.203 -17.506 1.00 0.00 O ATOM 29 CB LEU A 14 20.996 4.873 -16.840 1.00 0.00 C ATOM 30 CG LEU A 14 22.271 4.327 -16.193 1.00 0.00 C ATOM 31 CD1 LEU A 14 23.489 4.578 -17.084 1.00 0.00 C ATOM 32 CD2 LEU A 14 22.461 4.900 -14.788 1.00 0.00 C ATOM 0 H LEU A 14 18.758 3.002 -17.165 1.00 0.00 H new ATOM 0 HA LEU A 14 19.885 4.745 -15.056 1.00 0.00 H new ATOM 0 HB2 LEU A 14 20.929 4.478 -17.854 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.090 5.956 -16.926 1.00 0.00 H new ATOM 0 HG LEU A 14 22.166 3.247 -16.089 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.381 4.180 -16.601 1.00 0.00 H new ATOM 0 HD12 LEU A 14 23.345 4.083 -18.045 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.609 5.650 -17.242 1.00 0.00 H new ATOM 0 HD21 LEU A 14 23.374 4.496 -14.351 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.536 5.986 -14.845 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.609 4.627 -14.165 1.00 0.00 H new ATOM 43 N ASN A 15 18.336 6.518 -15.733 1.00 0.00 N ATOM 44 CA ASN A 15 17.268 7.466 -15.999 1.00 0.00 C ATOM 45 C ASN A 15 17.837 8.886 -15.983 1.00 0.00 C ATOM 46 O ASN A 15 17.571 9.655 -15.060 1.00 0.00 O ATOM 47 CB ASN A 15 16.177 7.382 -14.928 1.00 0.00 C ATOM 48 CG ASN A 15 16.775 7.516 -13.526 1.00 0.00 C ATOM 49 OD1 ASN A 15 17.928 7.874 -13.345 1.00 0.00 O ATOM 50 ND2 ASN A 15 15.930 7.207 -12.546 1.00 0.00 N ATOM 0 H ASN A 15 18.904 6.733 -14.914 1.00 0.00 H new ATOM 0 HA ASN A 15 16.838 7.226 -16.971 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.441 8.170 -15.090 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.651 6.431 -15.014 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.234 7.263 -11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.978 6.914 -12.767 1.00 0.00 H new ATOM 56 N THR A 16 18.610 9.192 -17.014 1.00 0.00 N ATOM 57 CA THR A 16 19.220 10.506 -17.131 1.00 0.00 C ATOM 58 C THR A 16 19.055 11.046 -18.552 1.00 0.00 C ATOM 59 O THR A 16 19.045 10.279 -19.514 1.00 0.00 O ATOM 60 CB THR A 16 20.680 10.391 -16.689 1.00 0.00 C ATOM 61 OG1 THR A 16 21.176 9.271 -17.418 1.00 0.00 O ATOM 62 CG2 THR A 16 20.817 9.970 -15.224 1.00 0.00 C ATOM 0 H THR A 16 18.828 8.552 -17.777 1.00 0.00 H new ATOM 0 HA THR A 16 18.726 11.230 -16.483 1.00 0.00 H new ATOM 0 HB THR A 16 21.181 11.347 -16.841 1.00 0.00 H new ATOM 0 HG1 THR A 16 22.119 9.126 -17.193 1.00 0.00 H new ATOM 0 HG21 THR A 16 21.873 9.903 -14.962 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.331 10.708 -14.586 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.345 8.998 -15.079 1.00 0.00 H new HETATM 70 N DPR A 17 18.928 12.397 -18.643 1.00 0.00 N HETATM 71 CA DPR A 17 18.766 13.049 -19.931 1.00 0.00 C HETATM 72 CB DPR A 17 19.100 14.510 -19.678 1.00 0.00 C HETATM 73 CG DPR A 17 18.985 14.709 -18.176 1.00 0.00 C HETATM 74 CD DPR A 17 18.937 13.336 -17.525 1.00 0.00 C HETATM 75 C DPR A 17 17.350 12.844 -20.473 1.00 0.00 C HETATM 76 O DPR A 17 16.414 12.620 -19.707 1.00 0.00 O HETATM 0 HG3 DPR A 17 19.834 15.280 -17.801 1.00 0.00 H new HETATM 0 HG2 DPR A 17 18.087 15.278 -17.934 1.00 0.00 H new HETATM 0 HD3 DPR A 17 18.048 13.222 -16.905 1.00 0.00 H new HETATM 0 HD2 DPR A 17 19.799 13.174 -16.878 1.00 0.00 H new HETATM 0 HB3 DPR A 17 20.105 14.747 -20.028 1.00 0.00 H new HETATM 0 HB2 DPR A 17 18.413 15.166 -20.213 1.00 0.00 H new HETATM 0 HA DPR A 17 19.419 12.633 -20.699 1.00 0.00 H new ATOM 84 N ALA A 18 17.237 12.930 -21.791 1.00 0.00 N ATOM 85 CA ALA A 18 15.951 12.757 -22.445 1.00 0.00 C ATOM 86 C ALA A 18 15.886 11.365 -23.074 1.00 0.00 C ATOM 87 O ALA A 18 15.036 11.102 -23.923 1.00 0.00 O ATOM 88 CB ALA A 18 15.748 13.873 -23.473 1.00 0.00 C ATOM 0 H ALA A 18 18.015 13.117 -22.423 1.00 0.00 H new ATOM 0 HA ALA A 18 15.139 12.828 -21.721 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.784 13.744 -23.964 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.773 14.840 -22.970 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.543 13.831 -24.218 1.00 0.00 H new ATOM 94 N VAL A 19 16.797 10.509 -22.634 1.00 0.00 N ATOM 95 CA VAL A 19 16.854 9.149 -23.143 1.00 0.00 C ATOM 96 C VAL A 19 16.657 8.168 -21.987 1.00 0.00 C ATOM 97 O VAL A 19 17.604 7.855 -21.265 1.00 0.00 O ATOM 98 CB VAL A 19 18.165 8.928 -23.900 1.00 0.00 C ATOM 99 CG1 VAL A 19 18.017 9.305 -25.375 1.00 0.00 C ATOM 100 CG2 VAL A 19 19.311 9.704 -23.247 1.00 0.00 C ATOM 0 H VAL A 19 17.502 10.731 -21.931 1.00 0.00 H new ATOM 0 HA VAL A 19 16.049 8.974 -23.857 1.00 0.00 H new ATOM 0 HB VAL A 19 18.407 7.866 -23.849 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.963 9.138 -25.890 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.242 8.690 -25.832 1.00 0.00 H new ATOM 0 HG13 VAL A 19 17.740 10.356 -25.456 1.00 0.00 H new ATOM 0 HG21 VAL A 19 20.232 9.530 -23.804 1.00 0.00 H new ATOM 0 HG22 VAL A 19 19.079 10.769 -23.253 1.00 0.00 H new ATOM 0 HG23 VAL A 19 19.440 9.366 -22.219 1.00 0.00 H new ATOM 110 N GLN A 20 15.423 7.706 -21.847 1.00 0.00 N ATOM 111 CA GLN A 20 15.090 6.766 -20.790 1.00 0.00 C ATOM 112 C GLN A 20 14.805 5.384 -21.380 1.00 0.00 C ATOM 113 O GLN A 20 13.825 5.202 -22.101 1.00 0.00 O ATOM 114 CB GLN A 20 13.903 7.266 -19.965 1.00 0.00 C ATOM 115 CG GLN A 20 14.237 7.272 -18.472 1.00 0.00 C ATOM 116 CD GLN A 20 13.640 8.500 -17.782 1.00 0.00 C ATOM 117 OE1 GLN A 20 13.366 8.318 -16.493 1.00 0.00 O flip ATOM 118 NE2 GLN A 20 13.441 9.545 -18.379 1.00 0.00 N flip ATOM 0 H GLN A 20 14.641 7.965 -22.448 1.00 0.00 H new ATOM 0 HA GLN A 20 15.946 6.684 -20.120 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.631 8.272 -20.285 1.00 0.00 H new ATOM 0 HB3 GLN A 20 13.037 6.630 -20.145 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.852 6.365 -18.006 1.00 0.00 H new ATOM 0 HG3 GLN A 20 15.319 7.265 -18.338 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.674 9.619 -19.369 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.042 10.345 -17.888 1.00 0.00 H new ATOM 125 N LYS A 21 15.680 4.444 -21.054 1.00 0.00 N ATOM 126 CA LYS A 21 15.535 3.083 -21.542 1.00 0.00 C ATOM 127 C LYS A 21 15.624 2.111 -20.365 1.00 0.00 C ATOM 128 O LYS A 21 16.634 1.429 -20.193 1.00 0.00 O ATOM 129 CB LYS A 21 16.550 2.801 -22.652 1.00 0.00 C ATOM 130 CG LYS A 21 17.963 3.187 -22.213 1.00 0.00 C ATOM 131 CD LYS A 21 18.894 3.321 -23.420 1.00 0.00 C ATOM 132 CE LYS A 21 19.065 1.979 -24.134 1.00 0.00 C ATOM 133 NZ LYS A 21 19.187 2.182 -25.594 1.00 0.00 N ATOM 0 H LYS A 21 16.493 4.598 -20.457 1.00 0.00 H new ATOM 0 HA LYS A 21 14.554 2.944 -21.996 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.523 1.743 -22.914 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.279 3.359 -23.548 1.00 0.00 H new ATOM 0 HG2 LYS A 21 17.933 4.129 -21.666 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.354 2.433 -21.529 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.490 4.057 -24.115 1.00 0.00 H new ATOM 0 HD3 LYS A 21 19.867 3.690 -23.094 1.00 0.00 H new ATOM 0 HE2 LYS A 21 19.951 1.470 -23.756 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.212 1.335 -23.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.302 1.261 -26.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.329 2.649 -25.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 20.015 2.779 -25.794 1.00 0.00 H new ATOM 142 N TRP A 22 14.554 2.076 -19.584 1.00 0.00 N ATOM 143 CA TRP A 22 14.500 1.198 -18.428 1.00 0.00 C ATOM 144 C TRP A 22 13.561 0.035 -18.760 1.00 0.00 C ATOM 145 O TRP A 22 12.343 0.167 -18.652 1.00 0.00 O ATOM 146 CB TRP A 22 14.078 1.967 -17.175 1.00 0.00 C ATOM 147 CG TRP A 22 13.121 1.196 -16.263 1.00 0.00 C ATOM 148 CD1 TRP A 22 11.781 1.198 -16.282 1.00 0.00 C ATOM 149 CD2 TRP A 22 13.488 0.301 -15.191 1.00 0.00 C ATOM 150 NE1 TRP A 22 11.259 0.376 -15.305 1.00 0.00 N ATOM 151 CE2 TRP A 22 12.331 -0.187 -14.621 1.00 0.00 C ATOM 152 CE3 TRP A 22 14.756 -0.082 -14.720 1.00 0.00 C ATOM 153 CZ2 TRP A 22 12.325 -1.086 -13.547 1.00 0.00 C ATOM 154 CZ3 TRP A 22 14.734 -0.980 -13.646 1.00 0.00 C ATOM 155 CH2 TRP A 22 13.578 -1.481 -13.060 1.00 0.00 C ATOM 0 H TRP A 22 13.718 2.642 -19.729 1.00 0.00 H new ATOM 0 HA TRP A 22 15.488 0.795 -18.204 1.00 0.00 H new ATOM 0 HB2 TRP A 22 14.970 2.233 -16.607 1.00 0.00 H new ATOM 0 HB3 TRP A 22 13.603 2.900 -17.477 1.00 0.00 H new ATOM 0 HD1 TRP A 22 11.184 1.772 -16.976 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.270 0.212 -15.119 1.00 0.00 H new ATOM 0 HE3 TRP A 22 15.674 0.287 -15.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 11.405 -1.455 -13.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 15.682 -1.306 -13.245 1.00 0.00 H new ATOM 0 HH2 TRP A 22 13.645 -2.172 -12.233 1.00 0.00 H new ATOM 165 N HIS A 23 14.165 -1.075 -19.158 1.00 0.00 N ATOM 166 CA HIS A 23 13.399 -2.259 -19.507 1.00 0.00 C ATOM 167 C HIS A 23 13.514 -3.294 -18.386 1.00 0.00 C ATOM 168 O HIS A 23 14.586 -3.854 -18.162 1.00 0.00 O ATOM 169 CB HIS A 23 13.834 -2.807 -20.867 1.00 0.00 C ATOM 170 CG HIS A 23 12.839 -3.752 -21.496 1.00 0.00 C ATOM 171 ND1 HIS A 23 12.960 -4.213 -22.795 1.00 0.00 N ATOM 172 CD2 HIS A 23 11.706 -4.319 -20.990 1.00 0.00 C ATOM 173 CE1 HIS A 23 11.940 -5.020 -23.050 1.00 0.00 C ATOM 174 NE2 HIS A 23 11.164 -5.083 -21.930 1.00 0.00 N ATOM 0 H HIS A 23 15.176 -1.179 -19.246 1.00 0.00 H new ATOM 0 HA HIS A 23 12.345 -1.998 -19.606 1.00 0.00 H new ATOM 0 HB2 HIS A 23 14.005 -1.972 -21.546 1.00 0.00 H new ATOM 0 HB3 HIS A 23 14.787 -3.324 -20.751 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.316 -4.171 -19.994 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.756 -5.537 -23.980 1.00 0.00 H new ATOM 0 HE2 HIS A 23 10.307 -5.628 -21.831 1.00 0.00 H new ATOM 181 N PHE A 24 12.396 -3.517 -17.711 1.00 0.00 N ATOM 182 CA PHE A 24 12.358 -4.474 -16.619 1.00 0.00 C ATOM 183 C PHE A 24 11.231 -5.490 -16.819 1.00 0.00 C ATOM 184 O PHE A 24 10.108 -5.117 -17.152 1.00 0.00 O ATOM 185 CB PHE A 24 12.093 -3.681 -15.338 1.00 0.00 C ATOM 186 CG PHE A 24 11.933 -4.551 -14.090 1.00 0.00 C ATOM 187 CD1 PHE A 24 12.729 -5.640 -13.911 1.00 0.00 C ATOM 188 CD2 PHE A 24 10.992 -4.237 -13.159 1.00 0.00 C ATOM 189 CE1 PHE A 24 12.580 -6.447 -12.753 1.00 0.00 C ATOM 190 CE2 PHE A 24 10.842 -5.045 -12.000 1.00 0.00 C ATOM 191 CZ PHE A 24 11.639 -6.133 -11.823 1.00 0.00 C ATOM 0 H PHE A 24 11.509 -3.051 -17.900 1.00 0.00 H new ATOM 0 HA PHE A 24 13.299 -5.021 -16.571 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.915 -2.983 -15.179 1.00 0.00 H new ATOM 0 HB3 PHE A 24 11.190 -3.086 -15.472 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.475 -5.890 -14.651 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.359 -3.374 -13.301 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.214 -7.310 -12.611 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.096 -4.796 -11.260 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.524 -6.748 -10.943 1.00 0.00 H new ATOM 200 N VAL A 25 11.572 -6.752 -16.607 1.00 0.00 N ATOM 201 CA VAL A 25 10.603 -7.824 -16.760 1.00 0.00 C ATOM 202 C VAL A 25 10.564 -8.657 -15.477 1.00 0.00 C ATOM 203 O VAL A 25 11.602 -9.102 -14.989 1.00 0.00 O ATOM 204 CB VAL A 25 10.932 -8.654 -18.002 1.00 0.00 C ATOM 205 CG1 VAL A 25 11.227 -7.752 -19.202 1.00 0.00 C ATOM 206 CG2 VAL A 25 12.098 -9.606 -17.732 1.00 0.00 C ATOM 0 H VAL A 25 12.505 -7.057 -16.331 1.00 0.00 H new ATOM 0 HA VAL A 25 9.604 -7.417 -16.914 1.00 0.00 H new ATOM 0 HB VAL A 25 10.057 -9.257 -18.243 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.458 -8.367 -20.072 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.355 -7.134 -19.416 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.079 -7.111 -18.975 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.311 -10.184 -18.631 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.981 -9.030 -17.453 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.834 -10.283 -16.919 1.00 0.00 H new ATOM 216 N LEU A 26 9.355 -8.843 -14.966 1.00 0.00 N ATOM 217 CA LEU A 26 9.167 -9.615 -13.750 1.00 0.00 C ATOM 218 C LEU A 26 8.067 -10.654 -13.975 1.00 0.00 C ATOM 219 O LEU A 26 7.034 -10.623 -13.307 1.00 0.00 O ATOM 220 CB LEU A 26 8.904 -8.687 -12.562 1.00 0.00 C ATOM 221 CG LEU A 26 9.847 -8.842 -11.367 1.00 0.00 C ATOM 222 CD1 LEU A 26 9.457 -7.891 -10.234 1.00 0.00 C ATOM 223 CD2 LEU A 26 9.904 -10.298 -10.900 1.00 0.00 C ATOM 0 H LEU A 26 8.496 -8.472 -15.373 1.00 0.00 H new ATOM 0 HA LEU A 26 10.076 -10.163 -13.502 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.960 -7.656 -12.912 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.883 -8.851 -12.217 1.00 0.00 H new ATOM 0 HG LEU A 26 10.852 -8.566 -11.686 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.143 -8.021 -9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.509 -6.862 -10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.441 -8.111 -9.908 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.581 -10.381 -10.050 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.907 -10.624 -10.603 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.265 -10.927 -11.714 1.00 0.00 H new HETATM 234 N DPR A 27 8.332 -11.571 -14.942 1.00 0.00 N HETATM 235 CA DPR A 27 7.376 -12.618 -15.262 1.00 0.00 C HETATM 236 CB DPR A 27 8.176 -13.661 -16.026 1.00 0.00 C HETATM 237 CG DPR A 27 9.433 -12.953 -16.508 1.00 0.00 C HETATM 238 CD DPR A 27 9.545 -11.638 -15.752 1.00 0.00 C HETATM 239 C DPR A 27 6.201 -12.059 -16.068 1.00 0.00 C HETATM 240 O DPR A 27 6.391 -11.517 -17.156 1.00 0.00 O HETATM 0 HG3 DPR A 27 10.312 -13.572 -16.330 1.00 0.00 H new HETATM 0 HG2 DPR A 27 9.382 -12.773 -17.582 1.00 0.00 H new HETATM 0 HD3 DPR A 27 9.611 -10.792 -16.436 1.00 0.00 H new HETATM 0 HD2 DPR A 27 10.439 -11.614 -15.129 1.00 0.00 H new HETATM 0 HB3 DPR A 27 8.426 -14.507 -15.386 1.00 0.00 H new HETATM 0 HB2 DPR A 27 7.603 -14.054 -16.866 1.00 0.00 H new HETATM 0 HA DPR A 27 6.919 -13.056 -14.375 1.00 0.00 H new ATOM 248 N GLY A 28 5.013 -12.209 -15.502 1.00 0.00 N ATOM 249 CA GLY A 28 3.807 -11.727 -16.152 1.00 0.00 C ATOM 250 C GLY A 28 3.663 -10.212 -15.986 1.00 0.00 C ATOM 251 O GLY A 28 2.915 -9.572 -16.723 1.00 0.00 O ATOM 0 H GLY A 28 4.860 -12.658 -14.599 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.835 -11.979 -17.212 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.936 -12.227 -15.728 1.00 0.00 H new ATOM 255 N TYR A 29 4.391 -9.685 -15.013 1.00 0.00 N ATOM 256 CA TYR A 29 4.354 -8.257 -14.740 1.00 0.00 C ATOM 257 C TYR A 29 5.619 -7.568 -15.255 1.00 0.00 C ATOM 258 O TYR A 29 6.630 -7.516 -14.557 1.00 0.00 O ATOM 259 CB TYR A 29 4.296 -8.121 -13.218 1.00 0.00 C ATOM 260 CG TYR A 29 2.895 -8.303 -12.629 1.00 0.00 C ATOM 261 CD1 TYR A 29 2.360 -9.570 -12.501 1.00 0.00 C ATOM 262 CD2 TYR A 29 2.167 -7.203 -12.227 1.00 0.00 C ATOM 263 CE1 TYR A 29 1.044 -9.742 -11.947 1.00 0.00 C ATOM 264 CE2 TYR A 29 0.849 -7.375 -11.673 1.00 0.00 C ATOM 265 CZ TYR A 29 0.352 -8.636 -11.560 1.00 0.00 C ATOM 266 OH TYR A 29 -0.893 -8.799 -11.037 1.00 0.00 O ATOM 0 H TYR A 29 5.010 -10.220 -14.404 1.00 0.00 H new ATOM 0 HA TYR A 29 3.500 -7.793 -15.234 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.965 -8.857 -12.772 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.672 -7.137 -12.937 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.930 -10.431 -12.817 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.585 -6.212 -12.328 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.614 -10.727 -11.840 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.268 -6.522 -11.354 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.267 -7.924 -10.804 1.00 0.00 H new ATOM 275 N LYS A 30 5.521 -7.055 -16.472 1.00 0.00 N ATOM 276 CA LYS A 30 6.645 -6.371 -17.089 1.00 0.00 C ATOM 277 C LYS A 30 6.220 -4.955 -17.485 1.00 0.00 C ATOM 278 O LYS A 30 5.078 -4.736 -17.889 1.00 0.00 O ATOM 279 CB LYS A 30 7.202 -7.194 -18.252 1.00 0.00 C ATOM 280 CG LYS A 30 6.121 -7.460 -19.302 1.00 0.00 C ATOM 281 CD LYS A 30 6.689 -7.336 -20.717 1.00 0.00 C ATOM 282 CE LYS A 30 6.306 -8.548 -21.570 1.00 0.00 C ATOM 283 NZ LYS A 30 6.965 -8.478 -22.893 1.00 0.00 N ATOM 0 H LYS A 30 4.680 -7.099 -17.048 1.00 0.00 H new ATOM 0 HA LYS A 30 7.466 -6.271 -16.379 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.037 -6.664 -18.710 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.592 -8.141 -17.878 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.707 -8.458 -19.158 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.301 -6.754 -19.172 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.315 -6.425 -21.184 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.774 -7.248 -20.671 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.597 -9.466 -21.060 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.224 -8.584 -21.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.695 -9.307 -23.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.667 -7.611 -23.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.997 -8.466 -22.766 1.00 0.00 H new ATOM 292 N CYS A 31 7.160 -4.031 -17.356 1.00 0.00 N ATOM 293 CA CYS A 31 6.897 -2.643 -17.696 1.00 0.00 C ATOM 294 C CYS A 31 8.021 -2.150 -18.609 1.00 0.00 C ATOM 295 O CYS A 31 9.199 -2.361 -18.319 1.00 0.00 O ATOM 296 CB CYS A 31 6.755 -1.772 -16.445 1.00 0.00 C ATOM 297 SG CYS A 31 5.762 -2.517 -15.100 1.00 0.00 S ATOM 0 H CYS A 31 8.105 -4.216 -17.021 1.00 0.00 H new ATOM 0 HA CYS A 31 5.945 -2.569 -18.222 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.750 -1.547 -16.061 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.301 -0.823 -16.730 1.00 0.00 H new ATOM 301 N GLU A 32 7.619 -1.503 -19.692 1.00 0.00 N ATOM 302 CA GLU A 32 8.577 -0.979 -20.650 1.00 0.00 C ATOM 303 C GLU A 32 8.316 0.506 -20.905 1.00 0.00 C ATOM 304 O GLU A 32 7.178 0.907 -21.145 1.00 0.00 O ATOM 305 CB GLU A 32 8.539 -1.775 -21.957 1.00 0.00 C ATOM 306 CG GLU A 32 9.785 -1.503 -22.801 1.00 0.00 C ATOM 307 CD GLU A 32 9.552 -1.893 -24.263 1.00 0.00 C ATOM 308 OE1 GLU A 32 8.588 -2.609 -24.568 1.00 0.00 O ATOM 309 OE2 GLU A 32 10.417 -1.422 -25.097 1.00 0.00 O ATOM 0 H GLU A 32 6.642 -1.329 -19.928 1.00 0.00 H new ATOM 0 HA GLU A 32 9.576 -1.085 -20.228 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.470 -2.840 -21.736 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.647 -1.509 -22.523 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.047 -0.447 -22.740 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.629 -2.064 -22.401 1.00 0.00 H new ATOM 315 N ILE A 33 9.388 1.283 -20.844 1.00 0.00 N ATOM 316 CA ILE A 33 9.287 2.715 -21.066 1.00 0.00 C ATOM 317 C ILE A 33 10.379 3.153 -22.044 1.00 0.00 C ATOM 318 O ILE A 33 11.565 2.960 -21.784 1.00 0.00 O ATOM 319 CB ILE A 33 9.318 3.467 -19.733 1.00 0.00 C ATOM 320 CG1 ILE A 33 8.842 4.909 -19.906 1.00 0.00 C ATOM 321 CG2 ILE A 33 10.707 3.394 -19.095 1.00 0.00 C ATOM 322 CD1 ILE A 33 10.011 5.838 -20.242 1.00 0.00 C ATOM 0 H ILE A 33 10.330 0.948 -20.644 1.00 0.00 H new ATOM 0 HA ILE A 33 8.330 2.963 -21.524 1.00 0.00 H new ATOM 0 HB ILE A 33 8.623 2.979 -19.049 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.096 4.956 -20.699 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.356 5.247 -18.991 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.702 3.936 -18.149 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.970 2.352 -18.914 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.440 3.842 -19.766 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.643 6.857 -20.360 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.744 5.807 -19.436 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.480 5.512 -21.171 1.00 0.00 H new ATOM 333 N LEU A 34 9.939 3.735 -23.150 1.00 0.00 N ATOM 334 CA LEU A 34 10.863 4.203 -24.169 1.00 0.00 C ATOM 335 C LEU A 34 10.555 5.664 -24.500 1.00 0.00 C ATOM 336 O LEU A 34 9.490 6.172 -24.152 1.00 0.00 O ATOM 337 CB LEU A 34 10.829 3.277 -25.388 1.00 0.00 C ATOM 338 CG LEU A 34 9.607 3.411 -26.298 1.00 0.00 C ATOM 339 CD1 LEU A 34 10.026 3.509 -27.767 1.00 0.00 C ATOM 340 CD2 LEU A 34 8.617 2.269 -26.059 1.00 0.00 C ATOM 0 H LEU A 34 8.954 3.893 -23.363 1.00 0.00 H new ATOM 0 HA LEU A 34 11.887 4.169 -23.798 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.723 3.461 -25.984 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.885 2.246 -25.038 1.00 0.00 H new ATOM 0 HG LEU A 34 9.094 4.339 -26.047 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.139 3.603 -28.393 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.663 4.383 -27.906 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.575 2.611 -28.049 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.758 2.388 -26.719 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.104 1.316 -26.266 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.283 2.288 -25.021 1.00 0.00 H new ATOM 351 N ALA A 35 11.508 6.300 -25.165 1.00 0.00 N ATOM 352 CA ALA A 35 11.353 7.694 -25.545 1.00 0.00 C ATOM 353 C ALA A 35 11.406 7.811 -27.070 1.00 0.00 C ATOM 354 O ALA A 35 10.709 7.084 -27.775 1.00 0.00 O ATOM 355 CB ALA A 35 12.432 8.534 -24.858 1.00 0.00 C ATOM 0 H ALA A 35 12.391 5.876 -25.451 1.00 0.00 H new ATOM 0 HA ALA A 35 10.386 8.076 -25.218 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.316 9.580 -25.143 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.333 8.440 -23.777 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.417 8.182 -25.164 1.00 0.00 H new TER 361 ALA A 35 ATOM 362 N THR B 12 -10.094 -1.870 -21.583 1.00 0.00 N ATOM 363 CA THR B 12 -10.936 -3.043 -21.420 1.00 0.00 C ATOM 364 C THR B 12 -10.242 -4.079 -20.532 1.00 0.00 C ATOM 365 O THR B 12 -9.026 -4.247 -20.603 1.00 0.00 O ATOM 366 CB THR B 12 -11.284 -3.573 -22.812 1.00 0.00 C ATOM 367 OG1 THR B 12 -12.299 -2.686 -23.277 1.00 0.00 O ATOM 368 CG2 THR B 12 -11.975 -4.937 -22.765 1.00 0.00 C ATOM 0 HA THR B 12 -11.866 -2.794 -20.909 1.00 0.00 H new ATOM 0 HB THR B 12 -10.375 -3.648 -23.409 1.00 0.00 H new ATOM 0 HG1 THR B 12 -12.069 -1.766 -23.029 1.00 0.00 H new ATOM 0 HG21 THR B 12 -12.200 -5.266 -23.780 1.00 0.00 H new ATOM 0 HG22 THR B 12 -11.317 -5.662 -22.286 1.00 0.00 H new ATOM 0 HG23 THR B 12 -12.901 -4.856 -22.196 1.00 0.00 H new ATOM 376 N ALA B 13 -11.046 -4.746 -19.717 1.00 0.00 N ATOM 377 CA ALA B 13 -10.525 -5.760 -18.818 1.00 0.00 C ATOM 378 C ALA B 13 -11.127 -7.118 -19.182 1.00 0.00 C ATOM 379 O ALA B 13 -12.339 -7.311 -19.083 1.00 0.00 O ATOM 380 CB ALA B 13 -10.821 -5.360 -17.371 1.00 0.00 C ATOM 0 H ALA B 13 -12.054 -4.604 -19.661 1.00 0.00 H new ATOM 0 HA ALA B 13 -9.443 -5.842 -18.919 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -10.430 -6.121 -16.696 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -10.346 -4.403 -17.154 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -11.898 -5.270 -17.231 1.00 0.00 H new ATOM 386 N LEU B 14 -10.255 -8.025 -19.596 1.00 0.00 N ATOM 387 CA LEU B 14 -10.687 -9.360 -19.976 1.00 0.00 C ATOM 388 C LEU B 14 -10.101 -10.379 -18.997 1.00 0.00 C ATOM 389 O LEU B 14 -8.931 -10.745 -19.103 1.00 0.00 O ATOM 390 CB LEU B 14 -10.336 -9.641 -21.439 1.00 0.00 C ATOM 391 CG LEU B 14 -11.391 -10.396 -22.249 1.00 0.00 C ATOM 392 CD1 LEU B 14 -12.229 -9.432 -23.091 1.00 0.00 C ATOM 393 CD2 LEU B 14 -10.748 -11.491 -23.101 1.00 0.00 C ATOM 0 H LEU B 14 -9.251 -7.862 -19.677 1.00 0.00 H new ATOM 0 HA LEU B 14 -11.772 -9.442 -19.911 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -10.139 -8.690 -21.934 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -9.408 -10.213 -21.466 1.00 0.00 H new ATOM 0 HG LEU B 14 -12.070 -10.888 -21.552 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -12.971 -9.994 -23.657 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -12.734 -8.721 -22.436 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -11.580 -8.892 -23.780 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -11.520 -12.012 -23.667 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -10.033 -11.043 -23.791 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -10.232 -12.200 -22.454 1.00 0.00 H new ATOM 404 N ASN B 15 -10.940 -10.808 -18.065 1.00 0.00 N ATOM 405 CA ASN B 15 -10.519 -11.777 -17.068 1.00 0.00 C ATOM 406 C ASN B 15 -11.367 -13.044 -17.205 1.00 0.00 C ATOM 407 O ASN B 15 -12.342 -13.224 -16.478 1.00 0.00 O ATOM 408 CB ASN B 15 -10.713 -11.230 -15.653 1.00 0.00 C ATOM 409 CG ASN B 15 -10.399 -9.734 -15.595 1.00 0.00 C ATOM 410 OD1 ASN B 15 -9.116 -9.459 -15.378 1.00 0.00 O flip ATOM 411 ND2 ASN B 15 -11.264 -8.885 -15.738 1.00 0.00 N flip ATOM 0 H ASN B 15 -11.909 -10.502 -17.980 1.00 0.00 H new ATOM 0 HA ASN B 15 -9.463 -11.991 -17.231 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -11.740 -11.402 -15.330 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -10.067 -11.768 -14.960 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -12.231 -9.165 -15.902 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -11.020 -7.896 -15.694 1.00 0.00 H new ATOM 417 N THR B 16 -10.964 -13.888 -18.144 1.00 0.00 N ATOM 418 CA THR B 16 -11.674 -15.132 -18.386 1.00 0.00 C ATOM 419 C THR B 16 -10.754 -16.329 -18.134 1.00 0.00 C ATOM 420 O THR B 16 -9.679 -16.426 -18.724 1.00 0.00 O ATOM 421 CB THR B 16 -12.236 -15.087 -19.808 1.00 0.00 C ATOM 422 OG1 THR B 16 -13.404 -14.280 -19.695 1.00 0.00 O ATOM 423 CG2 THR B 16 -12.765 -16.446 -20.271 1.00 0.00 C ATOM 0 H THR B 16 -10.155 -13.734 -18.746 1.00 0.00 H new ATOM 0 HA THR B 16 -12.508 -15.252 -17.695 1.00 0.00 H new ATOM 0 HB THR B 16 -11.461 -14.746 -20.494 1.00 0.00 H new ATOM 0 HG1 THR B 16 -13.831 -14.197 -20.573 1.00 0.00 H new ATOM 0 HG21 THR B 16 -13.152 -16.359 -21.286 1.00 0.00 H new ATOM 0 HG22 THR B 16 -11.956 -17.177 -20.253 1.00 0.00 H new ATOM 0 HG23 THR B 16 -13.564 -16.772 -19.605 1.00 0.00 H new HETATM 431 N DPR B 17 -11.222 -17.233 -17.232 1.00 0.00 N HETATM 432 CA DPR B 17 -10.454 -18.420 -16.894 1.00 0.00 C HETATM 433 CB DPR B 17 -11.452 -19.361 -16.240 1.00 0.00 C HETATM 434 CG DPR B 17 -12.627 -18.495 -15.816 1.00 0.00 C HETATM 435 CD DPR B 17 -12.491 -17.151 -16.513 1.00 0.00 C HETATM 436 C DPR B 17 -9.277 -18.069 -15.982 1.00 0.00 C HETATM 437 O DPR B 17 -9.471 -17.711 -14.822 1.00 0.00 O HETATM 0 HG3 DPR B 17 -13.569 -18.971 -16.086 1.00 0.00 H new HETATM 0 HG2 DPR B 17 -12.634 -18.365 -14.734 1.00 0.00 H new HETATM 0 HD3 DPR B 17 -12.487 -16.331 -15.795 1.00 0.00 H new HETATM 0 HD2 DPR B 17 -13.322 -16.973 -17.195 1.00 0.00 H new HETATM 0 HB3 DPR B 17 -11.770 -20.137 -16.936 1.00 0.00 H new HETATM 0 HB2 DPR B 17 -11.009 -19.865 -15.381 1.00 0.00 H new HETATM 0 HA DPR B 17 -9.998 -18.889 -17.766 1.00 0.00 H new ATOM 445 N ALA B 18 -8.082 -18.184 -16.542 1.00 0.00 N ATOM 446 CA ALA B 18 -6.873 -17.884 -15.795 1.00 0.00 C ATOM 447 C ALA B 18 -5.979 -16.963 -16.627 1.00 0.00 C ATOM 448 O ALA B 18 -4.760 -16.961 -16.463 1.00 0.00 O ATOM 449 CB ALA B 18 -6.171 -19.188 -15.413 1.00 0.00 C ATOM 0 H ALA B 18 -7.925 -18.481 -17.505 1.00 0.00 H new ATOM 0 HA ALA B 18 -7.115 -17.361 -14.870 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -5.264 -18.962 -14.853 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -6.837 -19.793 -14.797 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -5.911 -19.740 -16.317 1.00 0.00 H new ATOM 455 N VAL B 19 -6.620 -16.200 -17.501 1.00 0.00 N ATOM 456 CA VAL B 19 -5.898 -15.277 -18.360 1.00 0.00 C ATOM 457 C VAL B 19 -6.189 -13.842 -17.916 1.00 0.00 C ATOM 458 O VAL B 19 -7.348 -13.453 -17.782 1.00 0.00 O ATOM 459 CB VAL B 19 -6.257 -15.534 -19.824 1.00 0.00 C ATOM 460 CG1 VAL B 19 -5.511 -14.571 -20.749 1.00 0.00 C ATOM 461 CG2 VAL B 19 -5.980 -16.989 -20.209 1.00 0.00 C ATOM 0 H VAL B 19 -7.631 -16.202 -17.632 1.00 0.00 H new ATOM 0 HA VAL B 19 -4.823 -15.434 -18.271 1.00 0.00 H new ATOM 0 HB VAL B 19 -7.325 -15.353 -19.944 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -5.785 -14.776 -21.784 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -5.780 -13.545 -20.499 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -4.437 -14.706 -20.624 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -6.244 -17.145 -21.255 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.922 -17.208 -20.065 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -6.577 -17.651 -19.582 1.00 0.00 H new ATOM 471 N GLN B 20 -5.116 -13.095 -17.701 1.00 0.00 N ATOM 472 CA GLN B 20 -5.242 -11.711 -17.275 1.00 0.00 C ATOM 473 C GLN B 20 -4.632 -10.776 -18.321 1.00 0.00 C ATOM 474 O GLN B 20 -3.412 -10.633 -18.395 1.00 0.00 O ATOM 475 CB GLN B 20 -4.596 -11.497 -15.905 1.00 0.00 C ATOM 476 CG GLN B 20 -5.570 -10.822 -14.938 1.00 0.00 C ATOM 477 CD GLN B 20 -6.430 -11.860 -14.213 1.00 0.00 C ATOM 478 OE1 GLN B 20 -6.206 -13.056 -14.294 1.00 0.00 O ATOM 479 NE2 GLN B 20 -7.425 -11.336 -13.503 1.00 0.00 N ATOM 0 H GLN B 20 -4.156 -13.421 -17.814 1.00 0.00 H new ATOM 0 HA GLN B 20 -6.302 -11.476 -17.180 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -4.278 -12.456 -15.496 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -3.701 -10.884 -16.013 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -5.014 -10.232 -14.209 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -6.211 -10.131 -15.485 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -7.556 -10.325 -13.478 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -8.057 -11.945 -12.983 1.00 0.00 H new ATOM 486 N LYS B 21 -5.507 -10.164 -19.105 1.00 0.00 N ATOM 487 CA LYS B 21 -5.069 -9.247 -20.143 1.00 0.00 C ATOM 488 C LYS B 21 -5.585 -7.841 -19.826 1.00 0.00 C ATOM 489 O LYS B 21 -6.648 -7.444 -20.302 1.00 0.00 O ATOM 490 CB LYS B 21 -5.488 -9.759 -21.522 1.00 0.00 C ATOM 491 CG LYS B 21 -4.765 -11.063 -21.866 1.00 0.00 C ATOM 492 CD LYS B 21 -5.616 -11.935 -22.791 1.00 0.00 C ATOM 493 CE LYS B 21 -5.707 -11.323 -24.190 1.00 0.00 C ATOM 494 NZ LYS B 21 -6.774 -11.982 -24.976 1.00 0.00 N ATOM 0 H LYS B 21 -6.518 -10.285 -19.042 1.00 0.00 H new ATOM 0 HA LYS B 21 -3.981 -9.190 -20.167 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -6.566 -9.921 -21.542 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -5.265 -9.005 -22.277 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -3.813 -10.839 -22.346 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -4.539 -11.610 -20.951 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -5.184 -12.934 -22.854 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -6.616 -12.046 -22.373 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -5.911 -10.255 -24.114 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -4.751 -11.429 -24.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -6.822 -11.554 -25.923 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -6.564 -12.997 -25.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -7.687 -11.859 -24.494 1.00 0.00 H new ATOM 503 N TRP B 22 -4.807 -7.126 -19.026 1.00 0.00 N ATOM 504 CA TRP B 22 -5.171 -5.774 -18.641 1.00 0.00 C ATOM 505 C TRP B 22 -4.092 -4.825 -19.168 1.00 0.00 C ATOM 506 O TRP B 22 -2.917 -5.183 -19.218 1.00 0.00 O ATOM 507 CB TRP B 22 -5.371 -5.670 -17.128 1.00 0.00 C ATOM 508 CG TRP B 22 -5.401 -4.234 -16.601 1.00 0.00 C ATOM 509 CD1 TRP B 22 -4.557 -3.655 -15.736 1.00 0.00 C ATOM 510 CD2 TRP B 22 -6.361 -3.212 -16.943 1.00 0.00 C ATOM 511 NE1 TRP B 22 -4.900 -2.340 -15.497 1.00 0.00 N ATOM 512 CE2 TRP B 22 -6.034 -2.062 -16.254 1.00 0.00 C ATOM 513 CE3 TRP B 22 -7.470 -3.257 -17.806 1.00 0.00 C ATOM 514 CZ2 TRP B 22 -6.764 -0.873 -16.356 1.00 0.00 C ATOM 515 CZ3 TRP B 22 -8.190 -2.060 -17.896 1.00 0.00 C ATOM 516 CH2 TRP B 22 -7.873 -0.895 -17.210 1.00 0.00 C ATOM 0 H TRP B 22 -3.926 -7.458 -18.634 1.00 0.00 H new ATOM 0 HA TRP B 22 -6.128 -5.492 -19.081 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -6.305 -6.164 -16.861 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -4.569 -6.213 -16.628 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -3.714 -4.155 -15.283 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -4.412 -1.691 -14.879 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -7.745 -4.145 -18.356 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -6.487 0.014 -15.806 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -9.053 -2.041 -18.545 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -8.479 -0.010 -17.335 1.00 0.00 H new ATOM 526 N HIS B 23 -4.531 -3.634 -19.547 1.00 0.00 N ATOM 527 CA HIS B 23 -3.617 -2.631 -20.067 1.00 0.00 C ATOM 528 C HIS B 23 -3.755 -1.341 -19.257 1.00 0.00 C ATOM 529 O HIS B 23 -4.840 -0.770 -19.171 1.00 0.00 O ATOM 530 CB HIS B 23 -3.844 -2.416 -21.566 1.00 0.00 C ATOM 531 CG HIS B 23 -2.599 -2.017 -22.324 1.00 0.00 C ATOM 532 ND1 HIS B 23 -2.177 -2.671 -23.468 1.00 0.00 N ATOM 533 CD2 HIS B 23 -1.693 -1.025 -22.089 1.00 0.00 C ATOM 534 CE1 HIS B 23 -1.065 -2.091 -23.894 1.00 0.00 C ATOM 535 NE2 HIS B 23 -0.766 -1.072 -23.039 1.00 0.00 N ATOM 0 H HIS B 23 -5.507 -3.341 -19.504 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.590 -2.979 -19.959 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -4.242 -3.334 -21.998 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -4.602 -1.645 -21.702 1.00 0.00 H new ATOM 0 HD1 HIS B 23 -2.643 -3.464 -23.908 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -1.724 -0.321 -21.270 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -0.495 -2.376 -24.766 1.00 0.00 H new ATOM 542 N PHE B 24 -2.637 -0.921 -18.681 1.00 0.00 N ATOM 543 CA PHE B 24 -2.619 0.291 -17.879 1.00 0.00 C ATOM 544 C PHE B 24 -1.488 1.223 -18.320 1.00 0.00 C ATOM 545 O PHE B 24 -0.444 0.764 -18.780 1.00 0.00 O ATOM 546 CB PHE B 24 -2.376 -0.135 -16.430 1.00 0.00 C ATOM 547 CG PHE B 24 -2.283 1.032 -15.445 1.00 0.00 C ATOM 548 CD1 PHE B 24 -1.215 1.874 -15.488 1.00 0.00 C ATOM 549 CD2 PHE B 24 -3.267 1.229 -14.528 1.00 0.00 C ATOM 550 CE1 PHE B 24 -1.127 2.957 -14.575 1.00 0.00 C ATOM 551 CE2 PHE B 24 -3.180 2.312 -13.614 1.00 0.00 C ATOM 552 CZ PHE B 24 -2.112 3.154 -13.656 1.00 0.00 C ATOM 0 H PHE B 24 -1.738 -1.398 -18.754 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.561 0.827 -17.993 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.183 -0.798 -16.117 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.453 -0.712 -16.382 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.434 1.718 -16.217 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.115 0.561 -14.495 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.279 3.625 -14.609 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.962 2.468 -12.885 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.046 3.978 -12.961 1.00 0.00 H new ATOM 561 N VAL B 25 -1.734 2.516 -18.163 1.00 0.00 N ATOM 562 CA VAL B 25 -0.750 3.516 -18.540 1.00 0.00 C ATOM 563 C VAL B 25 -0.461 4.418 -17.339 1.00 0.00 C ATOM 564 O VAL B 25 -1.374 4.789 -16.603 1.00 0.00 O ATOM 565 CB VAL B 25 -1.235 4.291 -19.766 1.00 0.00 C ATOM 566 CG1 VAL B 25 -1.508 3.348 -20.939 1.00 0.00 C ATOM 567 CG2 VAL B 25 -2.474 5.126 -19.433 1.00 0.00 C ATOM 0 H VAL B 25 -2.601 2.894 -17.780 1.00 0.00 H new ATOM 0 HA VAL B 25 0.189 3.040 -18.823 1.00 0.00 H new ATOM 0 HB VAL B 25 -0.441 4.975 -20.065 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -1.852 3.925 -21.797 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -0.592 2.818 -21.201 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -2.275 2.628 -20.656 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -2.798 5.667 -20.322 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -3.276 4.469 -19.096 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -2.232 5.838 -18.644 1.00 0.00 H new ATOM 577 N LEU B 26 0.813 4.743 -17.177 1.00 0.00 N ATOM 578 CA LEU B 26 1.234 5.594 -16.077 1.00 0.00 C ATOM 579 C LEU B 26 2.027 6.780 -16.630 1.00 0.00 C ATOM 580 O LEU B 26 3.205 6.944 -16.318 1.00 0.00 O ATOM 581 CB LEU B 26 1.997 4.779 -15.030 1.00 0.00 C ATOM 582 CG LEU B 26 1.733 5.148 -13.570 1.00 0.00 C ATOM 583 CD1 LEU B 26 2.827 4.590 -12.657 1.00 0.00 C ATOM 584 CD2 LEU B 26 1.569 6.661 -13.408 1.00 0.00 C ATOM 0 H LEU B 26 1.568 4.432 -17.789 1.00 0.00 H new ATOM 0 HA LEU B 26 0.367 6.003 -15.559 1.00 0.00 H new ATOM 0 HB2 LEU B 26 1.751 3.726 -15.168 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.064 4.885 -15.223 1.00 0.00 H new ATOM 0 HG LEU B 26 0.793 4.687 -13.266 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.615 4.867 -11.624 1.00 0.00 H new ATOM 0 HD12 LEU B 26 2.854 3.504 -12.743 1.00 0.00 H new ATOM 0 HD13 LEU B 26 3.792 5.002 -12.952 1.00 0.00 H new ATOM 0 HD21 LEU B 26 1.382 6.897 -12.360 1.00 0.00 H new ATOM 0 HD22 LEU B 26 2.479 7.163 -13.736 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.729 7.003 -14.012 1.00 0.00 H new HETATM 595 N DPR B 27 1.329 7.599 -17.464 1.00 0.00 N HETATM 596 CA DPR B 27 1.955 8.764 -18.063 1.00 0.00 C HETATM 597 CB DPR B 27 0.800 9.631 -18.536 1.00 0.00 C HETATM 598 CG DPR B 27 -0.409 8.713 -18.604 1.00 0.00 C HETATM 599 CD DPR B 27 -0.067 7.435 -17.856 1.00 0.00 C HETATM 600 C DPR B 27 2.901 8.359 -19.195 1.00 0.00 C HETATM 601 O DPR B 27 2.465 7.804 -20.203 1.00 0.00 O HETATM 0 HG3 DPR B 27 -1.279 9.195 -18.159 1.00 0.00 H new HETATM 0 HG2 DPR B 27 -0.663 8.492 -19.641 1.00 0.00 H new HETATM 0 HD3 DPR B 27 -0.200 6.558 -18.489 1.00 0.00 H new HETATM 0 HD2 DPR B 27 -0.710 7.301 -16.986 1.00 0.00 H new HETATM 0 HB3 DPR B 27 0.625 10.458 -17.847 1.00 0.00 H new HETATM 0 HB2 DPR B 27 1.014 10.068 -19.511 1.00 0.00 H new HETATM 0 HA DPR B 27 2.585 9.310 -17.361 1.00 0.00 H new ATOM 609 N GLY B 28 4.176 8.651 -18.992 1.00 0.00 N ATOM 610 CA GLY B 28 5.187 8.323 -19.983 1.00 0.00 C ATOM 611 C GLY B 28 5.637 6.867 -19.846 1.00 0.00 C ATOM 612 O GLY B 28 6.277 6.324 -20.746 1.00 0.00 O ATOM 0 H GLY B 28 4.533 9.112 -18.155 1.00 0.00 H new ATOM 0 HA2 GLY B 28 4.789 8.492 -20.984 1.00 0.00 H new ATOM 0 HA3 GLY B 28 6.045 8.985 -19.866 1.00 0.00 H new ATOM 616 N TYR B 29 5.287 6.278 -18.713 1.00 0.00 N ATOM 617 CA TYR B 29 5.648 4.895 -18.446 1.00 0.00 C ATOM 618 C TYR B 29 4.446 3.969 -18.639 1.00 0.00 C ATOM 619 O TYR B 29 3.447 4.085 -17.931 1.00 0.00 O ATOM 620 CB TYR B 29 6.084 4.848 -16.980 1.00 0.00 C ATOM 621 CG TYR B 29 7.527 5.297 -16.745 1.00 0.00 C ATOM 622 CD1 TYR B 29 7.887 6.609 -16.973 1.00 0.00 C ATOM 623 CD2 TYR B 29 8.469 4.389 -16.305 1.00 0.00 C ATOM 624 CE1 TYR B 29 9.247 7.032 -16.752 1.00 0.00 C ATOM 625 CE2 TYR B 29 9.828 4.812 -16.083 1.00 0.00 C ATOM 626 CZ TYR B 29 10.149 6.111 -16.318 1.00 0.00 C ATOM 627 OH TYR B 29 11.432 6.511 -16.109 1.00 0.00 O ATOM 0 H TYR B 29 4.757 6.732 -17.969 1.00 0.00 H new ATOM 0 HA TYR B 29 6.434 4.565 -19.126 1.00 0.00 H new ATOM 0 HB2 TYR B 29 5.418 5.480 -16.393 1.00 0.00 H new ATOM 0 HB3 TYR B 29 5.966 3.830 -16.609 1.00 0.00 H new ATOM 0 HD1 TYR B 29 7.150 7.319 -17.317 1.00 0.00 H new ATOM 0 HD2 TYR B 29 8.187 3.362 -16.127 1.00 0.00 H new ATOM 0 HE1 TYR B 29 9.543 8.056 -16.927 1.00 0.00 H new ATOM 0 HE2 TYR B 29 10.575 4.112 -15.738 1.00 0.00 H new ATOM 0 HH TYR B 29 11.582 7.374 -16.549 1.00 0.00 H new ATOM 636 N LYS B 30 4.583 3.067 -19.601 1.00 0.00 N ATOM 637 CA LYS B 30 3.521 2.121 -19.897 1.00 0.00 C ATOM 638 C LYS B 30 3.935 0.729 -19.414 1.00 0.00 C ATOM 639 O LYS B 30 5.020 0.252 -19.743 1.00 0.00 O ATOM 640 CB LYS B 30 3.153 2.173 -21.380 1.00 0.00 C ATOM 641 CG LYS B 30 2.221 1.019 -21.755 1.00 0.00 C ATOM 642 CD LYS B 30 2.096 0.887 -23.275 1.00 0.00 C ATOM 643 CE LYS B 30 1.000 1.808 -23.817 1.00 0.00 C ATOM 644 NZ LYS B 30 1.583 2.847 -24.694 1.00 0.00 N ATOM 0 H LYS B 30 5.414 2.972 -20.185 1.00 0.00 H new ATOM 0 HA LYS B 30 2.612 2.389 -19.359 1.00 0.00 H new ATOM 0 HB2 LYS B 30 2.669 3.124 -21.605 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.059 2.125 -21.985 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.602 0.088 -21.336 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.236 1.186 -21.319 1.00 0.00 H new ATOM 0 HD2 LYS B 30 3.048 1.133 -23.745 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.870 -0.147 -23.537 1.00 0.00 H new ATOM 0 HE2 LYS B 30 0.268 1.223 -24.373 1.00 0.00 H new ATOM 0 HE3 LYS B 30 0.470 2.278 -22.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 0.826 3.463 -25.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.265 3.416 -24.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.069 2.393 -25.494 1.00 0.00 H new ATOM 653 N CYS B 31 3.049 0.117 -18.642 1.00 0.00 N ATOM 654 CA CYS B 31 3.310 -1.211 -18.112 1.00 0.00 C ATOM 655 C CYS B 31 2.161 -2.130 -18.531 1.00 0.00 C ATOM 656 O CYS B 31 0.993 -1.792 -18.348 1.00 0.00 O ATOM 657 CB CYS B 31 3.496 -1.187 -16.593 1.00 0.00 C ATOM 658 SG CYS B 31 3.919 -2.803 -15.847 1.00 0.00 S ATOM 0 H CYS B 31 2.150 0.516 -18.371 1.00 0.00 H new ATOM 0 HA CYS B 31 4.246 -1.591 -18.521 1.00 0.00 H new ATOM 0 HB2 CYS B 31 4.282 -0.473 -16.348 1.00 0.00 H new ATOM 0 HB3 CYS B 31 2.578 -0.820 -16.134 1.00 0.00 H new ATOM 662 N GLU B 32 2.533 -3.274 -19.087 1.00 0.00 N ATOM 663 CA GLU B 32 1.548 -4.244 -19.533 1.00 0.00 C ATOM 664 C GLU B 32 1.575 -5.481 -18.634 1.00 0.00 C ATOM 665 O GLU B 32 2.646 -5.977 -18.285 1.00 0.00 O ATOM 666 CB GLU B 32 1.780 -4.626 -20.998 1.00 0.00 C ATOM 667 CG GLU B 32 3.099 -5.381 -21.165 1.00 0.00 C ATOM 668 CD GLU B 32 3.427 -5.590 -22.644 1.00 0.00 C ATOM 669 OE1 GLU B 32 3.010 -6.598 -23.235 1.00 0.00 O ATOM 670 OE2 GLU B 32 4.142 -4.661 -23.181 1.00 0.00 O ATOM 0 H GLU B 32 3.503 -3.551 -19.239 1.00 0.00 H new ATOM 0 HA GLU B 32 0.560 -3.789 -19.461 1.00 0.00 H new ATOM 0 HB2 GLU B 32 0.955 -5.245 -21.351 1.00 0.00 H new ATOM 0 HB3 GLU B 32 1.791 -3.727 -21.615 1.00 0.00 H new ATOM 0 HG2 GLU B 32 3.904 -4.824 -20.685 1.00 0.00 H new ATOM 0 HG3 GLU B 32 3.036 -6.346 -20.663 1.00 0.00 H new ATOM 676 N ILE B 33 0.384 -5.944 -18.282 1.00 0.00 N ATOM 677 CA ILE B 33 0.257 -7.113 -17.430 1.00 0.00 C ATOM 678 C ILE B 33 -0.234 -8.297 -18.265 1.00 0.00 C ATOM 679 O ILE B 33 -1.375 -8.734 -18.118 1.00 0.00 O ATOM 680 CB ILE B 33 -0.629 -6.802 -16.222 1.00 0.00 C ATOM 681 CG1 ILE B 33 -0.212 -5.487 -15.560 1.00 0.00 C ATOM 682 CG2 ILE B 33 -0.633 -7.967 -15.230 1.00 0.00 C ATOM 683 CD1 ILE B 33 1.066 -5.668 -14.738 1.00 0.00 C ATOM 0 H ILE B 33 -0.502 -5.530 -18.572 1.00 0.00 H new ATOM 0 HA ILE B 33 1.228 -7.393 -17.020 1.00 0.00 H new ATOM 0 HB ILE B 33 -1.653 -6.675 -16.573 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.053 -4.726 -16.324 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -1.015 -5.129 -14.916 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -1.270 -7.720 -14.381 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.014 -8.862 -15.721 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.383 -8.150 -14.880 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.340 -4.719 -14.278 1.00 0.00 H new ATOM 0 HD12 ILE B 33 0.896 -6.412 -13.960 1.00 0.00 H new ATOM 0 HD13 ILE B 33 1.873 -6.002 -15.390 1.00 0.00 H new ATOM 694 N LEU B 34 0.650 -8.783 -19.123 1.00 0.00 N ATOM 695 CA LEU B 34 0.321 -9.908 -19.982 1.00 0.00 C ATOM 696 C LEU B 34 1.165 -11.118 -19.576 1.00 0.00 C ATOM 697 O LEU B 34 2.392 -11.034 -19.523 1.00 0.00 O ATOM 698 CB LEU B 34 0.469 -9.520 -21.454 1.00 0.00 C ATOM 699 CG LEU B 34 0.019 -10.568 -22.473 1.00 0.00 C ATOM 700 CD1 LEU B 34 -1.320 -10.180 -23.103 1.00 0.00 C ATOM 701 CD2 LEU B 34 1.100 -10.809 -23.528 1.00 0.00 C ATOM 0 H LEU B 34 1.595 -8.418 -19.242 1.00 0.00 H new ATOM 0 HA LEU B 34 -0.724 -10.191 -19.855 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -0.100 -8.606 -21.627 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.516 -9.284 -21.643 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.133 -11.511 -21.948 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -1.617 -10.942 -23.824 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.079 -10.101 -22.325 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.219 -9.220 -23.610 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.753 -11.558 -24.239 1.00 0.00 H new ATOM 0 HD22 LEU B 34 1.308 -9.878 -24.055 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.010 -11.163 -23.043 1.00 0.00 H new ATOM 712 N ALA B 35 0.475 -12.215 -19.302 1.00 0.00 N ATOM 713 CA ALA B 35 1.147 -13.441 -18.903 1.00 0.00 C ATOM 714 C ALA B 35 0.855 -14.535 -19.932 1.00 0.00 C ATOM 715 O ALA B 35 1.247 -14.420 -21.093 1.00 0.00 O ATOM 716 CB ALA B 35 0.700 -13.833 -17.494 1.00 0.00 C ATOM 0 H ALA B 35 -0.542 -12.281 -19.348 1.00 0.00 H new ATOM 0 HA ALA B 35 2.227 -13.295 -18.874 1.00 0.00 H new ATOM 0 HB1 ALA B 35 1.204 -14.752 -17.195 1.00 0.00 H new ATOM 0 HB2 ALA B 35 0.956 -13.036 -16.796 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -0.378 -13.991 -17.485 1.00 0.00 H new TER 722 ALA B 35