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 Single : A 12 THR OG1 : rot 33:sc= 0.661 USER MOD Single : A 15 ASN : amide:sc= -5.83! C(o=-5.8!,f=-13!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.95! C(o=-3!,f=-6.1!) USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00976) USER MOD Single : A 23 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.069) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= -0.106 (180deg=-0.549) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 ASN : amide:sc= -1.31 K(o=-1.3,f=-8.1!) USER MOD Single : B 16 THR OG1 : rot -67:sc= 0.744 USER MOD Single : B 20 GLN :FLIP amide:sc= -4.14! C(o=-5.4!,f=-4.1!) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc= -0.752 X(o=-0.75,f=-0.55) USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 12 17.993 -3.446 -26.022 1.00 0.00 N ATOM 2 CA THR A 12 18.357 -2.180 -25.409 1.00 0.00 C ATOM 3 C THR A 12 18.102 -2.225 -23.901 1.00 0.00 C ATOM 4 O THR A 12 16.979 -2.476 -23.465 1.00 0.00 O ATOM 5 CB THR A 12 17.585 -1.069 -26.123 1.00 0.00 C ATOM 6 OG1 THR A 12 16.217 -1.373 -25.860 1.00 0.00 O ATOM 7 CG2 THR A 12 17.700 -1.161 -27.646 1.00 0.00 C ATOM 0 HA THR A 12 19.422 -1.978 -25.521 1.00 0.00 H new ATOM 0 HB THR A 12 17.953 -0.099 -25.789 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.139 -1.790 -24.977 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.134 -0.349 -28.103 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.747 -1.082 -27.937 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.301 -2.117 -27.984 1.00 0.00 H new ATOM 15 N ALA A 13 19.162 -1.978 -23.145 1.00 0.00 N ATOM 16 CA ALA A 13 19.066 -1.987 -21.696 1.00 0.00 C ATOM 17 C ALA A 13 19.840 -0.794 -21.131 1.00 0.00 C ATOM 18 O ALA A 13 20.854 -0.970 -20.457 1.00 0.00 O ATOM 19 CB ALA A 13 19.581 -3.323 -21.159 1.00 0.00 C ATOM 0 H ALA A 13 20.092 -1.770 -23.509 1.00 0.00 H new ATOM 0 HA ALA A 13 18.028 -1.887 -21.379 1.00 0.00 H new ATOM 0 HB1 ALA A 13 19.509 -3.330 -20.071 1.00 0.00 H new ATOM 0 HB2 ALA A 13 18.980 -4.135 -21.568 1.00 0.00 H new ATOM 0 HB3 ALA A 13 20.622 -3.457 -21.455 1.00 0.00 H new ATOM 25 N LEU A 14 19.333 0.393 -21.426 1.00 0.00 N ATOM 26 CA LEU A 14 19.964 1.615 -20.956 1.00 0.00 C ATOM 27 C LEU A 14 18.943 2.755 -20.984 1.00 0.00 C ATOM 28 O LEU A 14 18.409 3.088 -22.041 1.00 0.00 O ATOM 29 CB LEU A 14 21.234 1.906 -21.759 1.00 0.00 C ATOM 30 CG LEU A 14 22.556 1.713 -21.015 1.00 0.00 C ATOM 31 CD1 LEU A 14 23.505 0.811 -21.808 1.00 0.00 C ATOM 32 CD2 LEU A 14 23.197 3.060 -20.676 1.00 0.00 C ATOM 0 H LEU A 14 18.492 0.535 -21.985 1.00 0.00 H new ATOM 0 HA LEU A 14 20.288 1.503 -19.921 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.238 1.264 -22.640 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.187 2.935 -22.115 1.00 0.00 H new ATOM 0 HG LEU A 14 22.346 1.210 -20.071 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.438 0.690 -21.257 1.00 0.00 H new ATOM 0 HD12 LEU A 14 23.042 -0.164 -21.955 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.713 1.264 -22.777 1.00 0.00 H new ATOM 0 HD21 LEU A 14 24.136 2.894 -20.147 1.00 0.00 H new ATOM 0 HD22 LEU A 14 23.391 3.612 -21.596 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.521 3.636 -20.043 1.00 0.00 H new ATOM 43 N ASN A 15 18.704 3.322 -19.811 1.00 0.00 N ATOM 44 CA ASN A 15 17.757 4.418 -19.689 1.00 0.00 C ATOM 45 C ASN A 15 18.403 5.558 -18.900 1.00 0.00 C ATOM 46 O ASN A 15 17.947 5.900 -17.810 1.00 0.00 O ATOM 47 CB ASN A 15 16.499 3.977 -18.937 1.00 0.00 C ATOM 48 CG ASN A 15 16.859 3.138 -17.710 1.00 0.00 C ATOM 49 OD1 ASN A 15 17.693 2.249 -17.757 1.00 0.00 O ATOM 50 ND2 ASN A 15 16.187 3.469 -16.612 1.00 0.00 N ATOM 0 H ASN A 15 19.149 3.043 -18.937 1.00 0.00 H new ATOM 0 HA ASN A 15 17.483 4.741 -20.693 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.930 4.854 -18.628 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.858 3.399 -19.602 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.356 2.968 -15.740 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.502 4.224 -16.642 1.00 0.00 H new ATOM 56 N THR A 16 19.455 6.116 -19.482 1.00 0.00 N ATOM 57 CA THR A 16 20.168 7.211 -18.847 1.00 0.00 C ATOM 58 C THR A 16 19.781 8.544 -19.491 1.00 0.00 C ATOM 59 O THR A 16 19.529 8.607 -20.693 1.00 0.00 O ATOM 60 CB THR A 16 21.666 6.910 -18.929 1.00 0.00 C ATOM 61 OG1 THR A 16 21.892 5.982 -17.870 1.00 0.00 O ATOM 62 CG2 THR A 16 22.528 8.118 -18.554 1.00 0.00 C ATOM 0 H THR A 16 19.830 5.830 -20.386 1.00 0.00 H new ATOM 0 HA THR A 16 19.897 7.302 -17.795 1.00 0.00 H new ATOM 0 HB THR A 16 21.916 6.585 -19.939 1.00 0.00 H new ATOM 0 HG1 THR A 16 22.839 5.731 -17.851 1.00 0.00 H new ATOM 0 HG21 THR A 16 23.582 7.850 -18.629 1.00 0.00 H new ATOM 0 HG22 THR A 16 22.314 8.943 -19.234 1.00 0.00 H new ATOM 0 HG23 THR A 16 22.303 8.423 -17.532 1.00 0.00 H new HETATM 70 N DPR A 17 19.745 9.604 -18.640 1.00 0.00 N HETATM 71 CA DPR A 17 19.392 10.932 -19.113 1.00 0.00 C HETATM 72 CB DPR A 17 19.881 11.879 -18.029 1.00 0.00 C HETATM 73 CG DPR A 17 20.068 11.025 -16.785 1.00 0.00 C HETATM 74 CD DPR A 17 20.037 9.567 -17.210 1.00 0.00 C HETATM 75 C DPR A 17 17.888 11.041 -19.369 1.00 0.00 C HETATM 76 O DPR A 17 17.100 11.139 -18.429 1.00 0.00 O HETATM 0 HG3 DPR A 17 21.015 11.261 -16.299 1.00 0.00 H new HETATM 0 HG2 DPR A 17 19.279 11.228 -16.061 1.00 0.00 H new HETATM 0 HD3 DPR A 17 19.274 9.012 -16.664 1.00 0.00 H new HETATM 0 HD2 DPR A 17 20.990 9.077 -17.013 1.00 0.00 H new HETATM 0 HB3 DPR A 17 20.817 12.356 -18.320 1.00 0.00 H new HETATM 0 HB2 DPR A 17 19.159 12.676 -17.851 1.00 0.00 H new HETATM 0 HA DPR A 17 19.852 11.173 -20.071 1.00 0.00 H new ATOM 84 N ALA A 18 17.533 11.021 -20.646 1.00 0.00 N ATOM 85 CA ALA A 18 16.138 11.117 -21.038 1.00 0.00 C ATOM 86 C ALA A 18 15.909 10.284 -22.300 1.00 0.00 C ATOM 87 O ALA A 18 14.975 9.486 -22.361 1.00 0.00 O ATOM 88 CB ALA A 18 15.762 12.587 -21.231 1.00 0.00 C ATOM 0 H ALA A 18 18.189 10.940 -21.423 1.00 0.00 H new ATOM 0 HA ALA A 18 15.491 10.716 -20.258 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.715 12.659 -21.525 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.914 13.127 -20.297 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.388 13.024 -22.009 1.00 0.00 H new ATOM 94 N VAL A 19 16.777 10.500 -23.278 1.00 0.00 N ATOM 95 CA VAL A 19 16.681 9.781 -24.537 1.00 0.00 C ATOM 96 C VAL A 19 17.305 8.393 -24.374 1.00 0.00 C ATOM 97 O VAL A 19 18.224 8.032 -25.108 1.00 0.00 O ATOM 98 CB VAL A 19 17.325 10.598 -25.658 1.00 0.00 C ATOM 99 CG1 VAL A 19 18.840 10.692 -25.467 1.00 0.00 C ATOM 100 CG2 VAL A 19 16.980 10.015 -27.029 1.00 0.00 C ATOM 0 H VAL A 19 17.550 11.163 -23.224 1.00 0.00 H new ATOM 0 HA VAL A 19 15.637 9.639 -24.817 1.00 0.00 H new ATOM 0 HB VAL A 19 16.919 11.608 -25.612 1.00 0.00 H new ATOM 0 HG11 VAL A 19 19.273 11.278 -26.278 1.00 0.00 H new ATOM 0 HG12 VAL A 19 19.057 11.174 -24.514 1.00 0.00 H new ATOM 0 HG13 VAL A 19 19.270 9.691 -25.473 1.00 0.00 H new ATOM 0 HG21 VAL A 19 17.450 10.615 -27.808 1.00 0.00 H new ATOM 0 HG22 VAL A 19 17.345 8.990 -27.091 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.899 10.025 -27.167 1.00 0.00 H new ATOM 110 N GLN A 20 16.780 7.653 -23.409 1.00 0.00 N ATOM 111 CA GLN A 20 17.273 6.313 -23.141 1.00 0.00 C ATOM 112 C GLN A 20 16.166 5.451 -22.530 1.00 0.00 C ATOM 113 O GLN A 20 15.558 5.833 -21.531 1.00 0.00 O ATOM 114 CB GLN A 20 18.502 6.353 -22.231 1.00 0.00 C ATOM 115 CG GLN A 20 19.640 7.144 -22.880 1.00 0.00 C ATOM 116 CD GLN A 20 20.155 6.436 -24.134 1.00 0.00 C ATOM 117 OE1 GLN A 20 19.636 5.416 -24.560 1.00 0.00 O ATOM 118 NE2 GLN A 20 21.202 7.029 -24.699 1.00 0.00 N ATOM 0 H GLN A 20 16.018 7.956 -22.803 1.00 0.00 H new ATOM 0 HA GLN A 20 17.576 5.863 -24.087 1.00 0.00 H new ATOM 0 HB2 GLN A 20 18.237 6.807 -21.276 1.00 0.00 H new ATOM 0 HB3 GLN A 20 18.835 5.337 -22.019 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.291 8.143 -23.140 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.455 7.267 -22.167 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.587 7.881 -24.291 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.620 6.632 -25.541 1.00 0.00 H new ATOM 125 N LYS A 21 15.938 4.306 -23.157 1.00 0.00 N ATOM 126 CA LYS A 21 14.915 3.388 -22.687 1.00 0.00 C ATOM 127 C LYS A 21 15.568 2.062 -22.291 1.00 0.00 C ATOM 128 O LYS A 21 16.541 1.636 -22.911 1.00 0.00 O ATOM 129 CB LYS A 21 13.807 3.239 -23.733 1.00 0.00 C ATOM 130 CG LYS A 21 13.317 4.607 -24.210 1.00 0.00 C ATOM 131 CD LYS A 21 12.957 4.573 -25.697 1.00 0.00 C ATOM 132 CE LYS A 21 12.981 5.979 -26.299 1.00 0.00 C ATOM 133 NZ LYS A 21 12.016 6.080 -27.417 1.00 0.00 N ATOM 0 H LYS A 21 16.444 3.994 -23.986 1.00 0.00 H new ATOM 0 HA LYS A 21 14.429 3.784 -21.795 1.00 0.00 H new ATOM 0 HB2 LYS A 21 14.178 2.665 -24.582 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.974 2.678 -23.309 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.446 4.908 -23.628 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.091 5.355 -24.037 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.660 3.933 -26.230 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.967 4.135 -25.825 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.736 6.714 -25.532 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.985 6.212 -26.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.307 6.845 -28.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.994 5.181 -27.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.069 6.285 -27.040 1.00 0.00 H new ATOM 142 N TRP A 22 15.007 1.447 -21.261 1.00 0.00 N ATOM 143 CA TRP A 22 15.522 0.178 -20.774 1.00 0.00 C ATOM 144 C TRP A 22 14.332 -0.744 -20.506 1.00 0.00 C ATOM 145 O TRP A 22 13.195 -0.284 -20.407 1.00 0.00 O ATOM 146 CB TRP A 22 16.410 0.383 -19.545 1.00 0.00 C ATOM 147 CG TRP A 22 15.640 0.441 -18.224 1.00 0.00 C ATOM 148 CD1 TRP A 22 14.401 0.904 -18.011 1.00 0.00 C ATOM 149 CD2 TRP A 22 16.112 -0.001 -16.934 1.00 0.00 C ATOM 150 NE1 TRP A 22 14.041 0.795 -16.684 1.00 0.00 N ATOM 151 CE2 TRP A 22 15.115 0.227 -16.007 1.00 0.00 C ATOM 152 CE3 TRP A 22 17.341 -0.573 -16.561 1.00 0.00 C ATOM 153 CZ2 TRP A 22 15.244 -0.088 -14.650 1.00 0.00 C ATOM 154 CZ3 TRP A 22 17.454 -0.881 -15.200 1.00 0.00 C ATOM 155 CH2 TRP A 22 16.459 -0.659 -14.255 1.00 0.00 C ATOM 0 H TRP A 22 14.200 1.804 -20.749 1.00 0.00 H new ATOM 0 HA TRP A 22 16.163 -0.291 -21.521 1.00 0.00 H new ATOM 0 HB2 TRP A 22 17.137 -0.428 -19.495 1.00 0.00 H new ATOM 0 HB3 TRP A 22 16.973 1.308 -19.667 1.00 0.00 H new ATOM 0 HD1 TRP A 22 13.764 1.312 -18.782 1.00 0.00 H new ATOM 0 HE1 TRP A 22 13.151 1.079 -16.275 1.00 0.00 H new ATOM 0 HE3 TRP A 22 18.135 -0.760 -17.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 14.448 0.100 -13.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 18.379 -1.322 -14.860 1.00 0.00 H new ATOM 0 HH2 TRP A 22 16.623 -0.926 -13.221 1.00 0.00 H new ATOM 165 N HIS A 23 14.634 -2.029 -20.394 1.00 0.00 N ATOM 166 CA HIS A 23 13.603 -3.021 -20.139 1.00 0.00 C ATOM 167 C HIS A 23 13.691 -3.491 -18.686 1.00 0.00 C ATOM 168 O HIS A 23 14.774 -3.817 -18.199 1.00 0.00 O ATOM 169 CB HIS A 23 13.697 -4.173 -21.141 1.00 0.00 C ATOM 170 CG HIS A 23 14.613 -5.292 -20.707 1.00 0.00 C ATOM 171 ND1 HIS A 23 15.932 -5.381 -21.114 1.00 0.00 N ATOM 172 CD2 HIS A 23 14.386 -6.365 -19.896 1.00 0.00 C ATOM 173 CE1 HIS A 23 16.466 -6.464 -20.568 1.00 0.00 C ATOM 174 NE2 HIS A 23 15.506 -7.073 -19.814 1.00 0.00 N ATOM 0 H HIS A 23 15.578 -2.406 -20.475 1.00 0.00 H new ATOM 0 HA HIS A 23 12.620 -2.573 -20.281 1.00 0.00 H new ATOM 0 HB2 HIS A 23 12.699 -4.578 -21.307 1.00 0.00 H new ATOM 0 HB3 HIS A 23 14.046 -3.782 -22.097 1.00 0.00 H new ATOM 0 HD2 HIS A 23 13.453 -6.599 -19.404 1.00 0.00 H new ATOM 0 HE1 HIS A 23 17.483 -6.805 -20.697 1.00 0.00 H new ATOM 0 HE2 HIS A 23 15.629 -7.931 -19.276 1.00 0.00 H new ATOM 181 N PHE A 24 12.539 -3.510 -18.032 1.00 0.00 N ATOM 182 CA PHE A 24 12.473 -3.935 -16.644 1.00 0.00 C ATOM 183 C PHE A 24 11.311 -4.905 -16.421 1.00 0.00 C ATOM 184 O PHE A 24 10.184 -4.482 -16.171 1.00 0.00 O ATOM 185 CB PHE A 24 12.241 -2.678 -15.802 1.00 0.00 C ATOM 186 CG PHE A 24 12.192 -2.938 -14.296 1.00 0.00 C ATOM 187 CD1 PHE A 24 13.310 -3.356 -13.641 1.00 0.00 C ATOM 188 CD2 PHE A 24 11.032 -2.753 -13.610 1.00 0.00 C ATOM 189 CE1 PHE A 24 13.265 -3.597 -12.243 1.00 0.00 C ATOM 190 CE2 PHE A 24 10.987 -2.995 -12.211 1.00 0.00 C ATOM 191 CZ PHE A 24 12.105 -3.412 -11.557 1.00 0.00 C ATOM 0 H PHE A 24 11.644 -3.238 -18.438 1.00 0.00 H new ATOM 0 HA PHE A 24 13.395 -4.446 -16.368 1.00 0.00 H new ATOM 0 HB2 PHE A 24 13.035 -1.962 -16.011 1.00 0.00 H new ATOM 0 HB3 PHE A 24 11.304 -2.214 -16.111 1.00 0.00 H new ATOM 0 HD1 PHE A 24 14.231 -3.504 -14.185 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.145 -2.422 -14.129 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.152 -3.927 -11.724 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.066 -2.848 -11.667 1.00 0.00 H new ATOM 0 HZ PHE A 24 12.071 -3.596 -10.493 1.00 0.00 H new ATOM 200 N VAL A 25 11.625 -6.188 -16.522 1.00 0.00 N ATOM 201 CA VAL A 25 10.622 -7.222 -16.336 1.00 0.00 C ATOM 202 C VAL A 25 10.904 -7.971 -15.031 1.00 0.00 C ATOM 203 O VAL A 25 11.842 -8.762 -14.957 1.00 0.00 O ATOM 204 CB VAL A 25 10.585 -8.142 -17.558 1.00 0.00 C ATOM 205 CG1 VAL A 25 10.333 -7.342 -18.838 1.00 0.00 C ATOM 206 CG2 VAL A 25 11.872 -8.961 -17.666 1.00 0.00 C ATOM 0 H VAL A 25 12.561 -6.535 -16.731 1.00 0.00 H new ATOM 0 HA VAL A 25 9.629 -6.780 -16.249 1.00 0.00 H new ATOM 0 HB VAL A 25 9.756 -8.838 -17.430 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.311 -8.019 -19.692 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.377 -6.824 -18.761 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.131 -6.612 -18.974 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.820 -9.607 -18.543 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.724 -8.288 -17.761 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.990 -9.573 -16.772 1.00 0.00 H new ATOM 216 N LEU A 26 10.074 -7.695 -14.037 1.00 0.00 N ATOM 217 CA LEU A 26 10.223 -8.333 -12.740 1.00 0.00 C ATOM 218 C LEU A 26 9.124 -9.384 -12.565 1.00 0.00 C ATOM 219 O LEU A 26 7.950 -9.107 -12.806 1.00 0.00 O ATOM 220 CB LEU A 26 10.252 -7.284 -11.627 1.00 0.00 C ATOM 221 CG LEU A 26 11.631 -6.950 -11.055 1.00 0.00 C ATOM 222 CD1 LEU A 26 11.938 -7.809 -9.828 1.00 0.00 C ATOM 223 CD2 LEU A 26 12.714 -7.078 -12.129 1.00 0.00 C ATOM 0 H LEU A 26 9.296 -7.038 -14.103 1.00 0.00 H new ATOM 0 HA LEU A 26 11.178 -8.855 -12.680 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.807 -6.365 -12.009 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.617 -7.631 -10.812 1.00 0.00 H new ATOM 0 HG LEU A 26 11.623 -5.911 -10.726 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.924 -7.552 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.187 -7.626 -9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.922 -8.862 -10.108 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.685 -6.835 -11.697 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.731 -8.100 -12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.499 -6.390 -12.947 1.00 0.00 H new HETATM 234 N DPR A 27 9.556 -10.600 -12.136 1.00 0.00 N HETATM 235 CA DPR A 27 8.624 -11.694 -11.926 1.00 0.00 C HETATM 236 CB DPR A 27 9.374 -12.691 -11.059 1.00 0.00 C HETATM 237 CG DPR A 27 10.846 -12.340 -11.199 1.00 0.00 C HETATM 238 CD DPR A 27 10.938 -10.965 -11.840 1.00 0.00 C HETATM 239 C DPR A 27 8.166 -12.289 -13.259 1.00 0.00 C HETATM 240 O DPR A 27 8.887 -13.073 -13.873 1.00 0.00 O HETATM 0 HG3 DPR A 27 11.333 -12.340 -10.224 1.00 0.00 H new HETATM 0 HG2 DPR A 27 11.359 -13.082 -11.811 1.00 0.00 H new HETATM 0 HD3 DPR A 27 11.543 -10.990 -12.746 1.00 0.00 H new HETATM 0 HD2 DPR A 27 11.402 -10.245 -11.167 1.00 0.00 H new HETATM 0 HB3 DPR A 27 9.053 -12.623 -10.019 1.00 0.00 H new HETATM 0 HB2 DPR A 27 9.183 -13.713 -11.385 1.00 0.00 H new HETATM 0 HA DPR A 27 7.705 -11.373 -11.436 1.00 0.00 H new ATOM 248 N GLY A 28 6.969 -11.892 -13.669 1.00 0.00 N ATOM 249 CA GLY A 28 6.408 -12.375 -14.918 1.00 0.00 C ATOM 250 C GLY A 28 5.548 -11.300 -15.585 1.00 0.00 C ATOM 251 O GLY A 28 4.542 -11.610 -16.223 1.00 0.00 O ATOM 0 H GLY A 28 6.373 -11.241 -13.157 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.212 -12.672 -15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.805 -13.263 -14.730 1.00 0.00 H new ATOM 255 N TYR A 29 5.976 -10.057 -15.417 1.00 0.00 N ATOM 256 CA TYR A 29 5.257 -8.934 -15.995 1.00 0.00 C ATOM 257 C TYR A 29 6.153 -8.146 -16.953 1.00 0.00 C ATOM 258 O TYR A 29 7.377 -8.199 -16.851 1.00 0.00 O ATOM 259 CB TYR A 29 4.869 -8.033 -14.821 1.00 0.00 C ATOM 260 CG TYR A 29 3.942 -8.701 -13.805 1.00 0.00 C ATOM 261 CD1 TYR A 29 2.929 -9.534 -14.237 1.00 0.00 C ATOM 262 CD2 TYR A 29 4.117 -8.470 -12.455 1.00 0.00 C ATOM 263 CE1 TYR A 29 2.056 -10.162 -13.280 1.00 0.00 C ATOM 264 CE2 TYR A 29 3.243 -9.099 -11.498 1.00 0.00 C ATOM 265 CZ TYR A 29 2.256 -9.914 -11.957 1.00 0.00 C ATOM 266 OH TYR A 29 1.432 -10.508 -11.054 1.00 0.00 O ATOM 0 H TYR A 29 6.811 -9.803 -14.889 1.00 0.00 H new ATOM 0 HA TYR A 29 4.391 -9.281 -16.559 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.776 -7.707 -14.311 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.382 -7.138 -15.208 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.792 -9.714 -15.293 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.909 -7.818 -12.117 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.260 -10.816 -13.605 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.369 -8.927 -10.439 1.00 0.00 H new ATOM 0 HH TYR A 29 1.693 -10.241 -10.148 1.00 0.00 H new ATOM 275 N LYS A 30 5.507 -7.431 -17.863 1.00 0.00 N ATOM 276 CA LYS A 30 6.229 -6.632 -18.839 1.00 0.00 C ATOM 277 C LYS A 30 5.996 -5.149 -18.550 1.00 0.00 C ATOM 278 O LYS A 30 4.947 -4.604 -18.891 1.00 0.00 O ATOM 279 CB LYS A 30 5.848 -7.050 -20.261 1.00 0.00 C ATOM 280 CG LYS A 30 6.710 -8.220 -20.739 1.00 0.00 C ATOM 281 CD LYS A 30 5.910 -9.525 -20.743 1.00 0.00 C ATOM 282 CE LYS A 30 6.584 -10.577 -21.626 1.00 0.00 C ATOM 283 NZ LYS A 30 6.537 -10.169 -23.047 1.00 0.00 N ATOM 0 H LYS A 30 4.491 -7.388 -17.945 1.00 0.00 H new ATOM 0 HA LYS A 30 7.302 -6.808 -18.757 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.796 -7.333 -20.291 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.970 -6.204 -20.937 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.083 -8.015 -21.742 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.580 -8.324 -20.090 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.819 -9.903 -19.725 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.899 -9.335 -21.104 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.620 -10.712 -21.315 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.086 -11.538 -21.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.609 -11.011 -23.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.639 -9.680 -23.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.330 -9.528 -23.250 1.00 0.00 H new ATOM 292 N CYS A 31 6.991 -4.536 -17.925 1.00 0.00 N ATOM 293 CA CYS A 31 6.907 -3.126 -17.587 1.00 0.00 C ATOM 294 C CYS A 31 8.045 -2.393 -18.299 1.00 0.00 C ATOM 295 O CYS A 31 9.184 -2.408 -17.835 1.00 0.00 O ATOM 296 CB CYS A 31 6.943 -2.904 -16.073 1.00 0.00 C ATOM 297 SG CYS A 31 5.937 -1.496 -15.479 1.00 0.00 S ATOM 0 H CYS A 31 7.860 -4.991 -17.644 1.00 0.00 H new ATOM 0 HA CYS A 31 5.951 -2.725 -17.924 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.599 -3.812 -15.579 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.978 -2.747 -15.768 1.00 0.00 H new ATOM 301 N GLU A 32 7.698 -1.767 -19.415 1.00 0.00 N ATOM 302 CA GLU A 32 8.677 -1.030 -20.195 1.00 0.00 C ATOM 303 C GLU A 32 8.412 0.474 -20.093 1.00 0.00 C ATOM 304 O GLU A 32 7.353 0.950 -20.498 1.00 0.00 O ATOM 305 CB GLU A 32 8.673 -1.490 -21.655 1.00 0.00 C ATOM 306 CG GLU A 32 10.054 -1.309 -22.289 1.00 0.00 C ATOM 307 CD GLU A 32 9.951 -0.567 -23.622 1.00 0.00 C ATOM 308 OE1 GLU A 32 9.036 0.250 -23.808 1.00 0.00 O ATOM 309 OE2 GLU A 32 10.866 -0.862 -24.483 1.00 0.00 O ATOM 0 H GLU A 32 6.752 -1.755 -19.797 1.00 0.00 H new ATOM 0 HA GLU A 32 9.667 -1.234 -19.787 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.378 -2.538 -21.709 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.933 -0.921 -22.218 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.701 -0.755 -21.609 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.517 -2.283 -22.446 1.00 0.00 H new ATOM 315 N ILE A 33 9.394 1.179 -19.551 1.00 0.00 N ATOM 316 CA ILE A 33 9.280 2.620 -19.391 1.00 0.00 C ATOM 317 C ILE A 33 10.092 3.315 -20.485 1.00 0.00 C ATOM 318 O ILE A 33 11.184 2.867 -20.832 1.00 0.00 O ATOM 319 CB ILE A 33 9.678 3.034 -17.972 1.00 0.00 C ATOM 320 CG1 ILE A 33 8.834 2.298 -16.929 1.00 0.00 C ATOM 321 CG2 ILE A 33 9.602 4.552 -17.804 1.00 0.00 C ATOM 322 CD1 ILE A 33 9.483 2.374 -15.546 1.00 0.00 C ATOM 0 H ILE A 33 10.272 0.780 -19.217 1.00 0.00 H new ATOM 0 HA ILE A 33 8.244 2.937 -19.512 1.00 0.00 H new ATOM 0 HB ILE A 33 10.716 2.743 -17.809 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.836 2.734 -16.891 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.715 1.255 -17.222 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.889 4.820 -16.787 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.280 5.031 -18.511 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.583 4.888 -17.994 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.863 1.843 -14.823 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.471 1.916 -15.582 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.578 3.417 -15.245 1.00 0.00 H new ATOM 333 N LEU A 34 9.528 4.398 -20.998 1.00 0.00 N ATOM 334 CA LEU A 34 10.186 5.160 -22.045 1.00 0.00 C ATOM 335 C LEU A 34 10.053 6.654 -21.744 1.00 0.00 C ATOM 336 O LEU A 34 9.174 7.062 -20.986 1.00 0.00 O ATOM 337 CB LEU A 34 9.646 4.760 -23.420 1.00 0.00 C ATOM 338 CG LEU A 34 8.456 5.572 -23.935 1.00 0.00 C ATOM 339 CD1 LEU A 34 8.350 5.483 -25.459 1.00 0.00 C ATOM 340 CD2 LEU A 34 7.159 5.145 -23.245 1.00 0.00 C ATOM 0 H LEU A 34 8.622 4.766 -20.708 1.00 0.00 H new ATOM 0 HA LEU A 34 11.252 4.932 -22.068 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.456 4.841 -24.144 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.355 3.710 -23.383 1.00 0.00 H new ATOM 0 HG LEU A 34 8.624 6.619 -23.684 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.496 6.069 -25.799 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.262 5.874 -25.911 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.217 4.442 -25.754 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.330 5.738 -23.630 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.972 4.089 -23.442 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.250 5.303 -22.170 1.00 0.00 H new ATOM 351 N ALA A 35 10.939 7.429 -22.352 1.00 0.00 N ATOM 352 CA ALA A 35 10.932 8.869 -22.158 1.00 0.00 C ATOM 353 C ALA A 35 10.481 9.551 -23.452 1.00 0.00 C ATOM 354 O ALA A 35 10.519 8.947 -24.523 1.00 0.00 O ATOM 355 CB ALA A 35 12.319 9.331 -21.708 1.00 0.00 C ATOM 0 H ALA A 35 11.667 7.087 -22.979 1.00 0.00 H new ATOM 0 HA ALA A 35 10.227 9.147 -21.375 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.313 10.411 -21.563 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.580 8.840 -20.770 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.054 9.071 -22.470 1.00 0.00 H new TER 361 ALA A 35 ATOM 362 N THR B 12 -8.160 -1.486 -21.599 1.00 0.00 N ATOM 363 CA THR B 12 -9.342 -2.277 -21.895 1.00 0.00 C ATOM 364 C THR B 12 -9.149 -3.722 -21.429 1.00 0.00 C ATOM 365 O THR B 12 -8.186 -4.380 -21.819 1.00 0.00 O ATOM 366 CB THR B 12 -9.630 -2.155 -23.393 1.00 0.00 C ATOM 367 OG1 THR B 12 -10.880 -2.818 -23.562 1.00 0.00 O ATOM 368 CG2 THR B 12 -8.656 -2.973 -24.244 1.00 0.00 C ATOM 0 HA THR B 12 -10.211 -1.907 -21.351 1.00 0.00 H new ATOM 0 HB THR B 12 -9.579 -1.107 -23.688 1.00 0.00 H new ATOM 0 HG1 THR B 12 -11.143 -2.785 -24.505 1.00 0.00 H new ATOM 0 HG21 THR B 12 -8.904 -2.852 -25.298 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.638 -2.625 -24.068 1.00 0.00 H new ATOM 0 HG23 THR B 12 -8.731 -4.026 -23.972 1.00 0.00 H new ATOM 376 N ALA B 13 -10.081 -4.172 -20.602 1.00 0.00 N ATOM 377 CA ALA B 13 -10.026 -5.527 -20.079 1.00 0.00 C ATOM 378 C ALA B 13 -11.235 -6.315 -20.586 1.00 0.00 C ATOM 379 O ALA B 13 -12.271 -6.362 -19.925 1.00 0.00 O ATOM 380 CB ALA B 13 -9.957 -5.482 -18.551 1.00 0.00 C ATOM 0 H ALA B 13 -10.878 -3.623 -20.281 1.00 0.00 H new ATOM 0 HA ALA B 13 -9.130 -6.038 -20.431 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -9.916 -6.498 -18.159 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -9.064 -4.938 -18.243 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -10.842 -4.978 -18.162 1.00 0.00 H new ATOM 386 N LEU B 14 -11.063 -6.914 -21.755 1.00 0.00 N ATOM 387 CA LEU B 14 -12.128 -7.698 -22.357 1.00 0.00 C ATOM 388 C LEU B 14 -11.706 -9.168 -22.409 1.00 0.00 C ATOM 389 O LEU B 14 -10.520 -9.474 -22.525 1.00 0.00 O ATOM 390 CB LEU B 14 -12.512 -7.119 -23.721 1.00 0.00 C ATOM 391 CG LEU B 14 -13.909 -6.504 -23.819 1.00 0.00 C ATOM 392 CD1 LEU B 14 -13.837 -5.053 -24.296 1.00 0.00 C ATOM 393 CD2 LEU B 14 -14.823 -7.355 -24.704 1.00 0.00 C ATOM 0 H LEU B 14 -10.203 -6.872 -22.301 1.00 0.00 H new ATOM 0 HA LEU B 14 -13.031 -7.647 -21.749 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -11.781 -6.356 -23.988 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -12.432 -7.911 -24.465 1.00 0.00 H new ATOM 0 HG LEU B 14 -14.348 -6.493 -22.821 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -14.844 -4.640 -24.357 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -13.246 -4.467 -23.592 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -13.370 -5.016 -25.280 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -15.810 -6.895 -24.756 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -14.400 -7.421 -25.706 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -14.911 -8.355 -24.280 1.00 0.00 H new ATOM 404 N ASN B 15 -12.700 -10.039 -22.321 1.00 0.00 N ATOM 405 CA ASN B 15 -12.448 -11.469 -22.357 1.00 0.00 C ATOM 406 C ASN B 15 -13.280 -12.102 -23.473 1.00 0.00 C ATOM 407 O ASN B 15 -14.481 -12.320 -23.312 1.00 0.00 O ATOM 408 CB ASN B 15 -12.848 -12.132 -21.037 1.00 0.00 C ATOM 409 CG ASN B 15 -14.289 -11.782 -20.661 1.00 0.00 C ATOM 410 OD1 ASN B 15 -14.951 -10.988 -21.309 1.00 0.00 O ATOM 411 ND2 ASN B 15 -14.736 -12.417 -19.581 1.00 0.00 N ATOM 0 H ASN B 15 -13.682 -9.782 -22.225 1.00 0.00 H new ATOM 0 HA ASN B 15 -11.382 -11.619 -22.529 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -12.744 -13.214 -21.123 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -12.173 -11.809 -20.245 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -15.686 -12.252 -19.249 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -14.129 -13.069 -19.085 1.00 0.00 H new ATOM 417 N THR B 16 -12.610 -12.380 -24.583 1.00 0.00 N ATOM 418 CA THR B 16 -13.273 -12.984 -25.726 1.00 0.00 C ATOM 419 C THR B 16 -12.551 -14.267 -26.144 1.00 0.00 C ATOM 420 O THR B 16 -11.778 -14.265 -27.101 1.00 0.00 O ATOM 421 CB THR B 16 -13.343 -11.936 -26.839 1.00 0.00 C ATOM 422 OG1 THR B 16 -13.512 -12.703 -28.027 1.00 0.00 O ATOM 423 CG2 THR B 16 -12.012 -11.213 -27.047 1.00 0.00 C ATOM 0 H THR B 16 -11.615 -12.198 -24.714 1.00 0.00 H new ATOM 0 HA THR B 16 -14.291 -13.286 -25.480 1.00 0.00 H new ATOM 0 HB THR B 16 -14.118 -11.207 -26.603 1.00 0.00 H new ATOM 0 HG1 THR B 16 -12.702 -13.229 -28.195 1.00 0.00 H new ATOM 0 HG21 THR B 16 -12.117 -10.481 -27.848 1.00 0.00 H new ATOM 0 HG22 THR B 16 -11.726 -10.705 -26.126 1.00 0.00 H new ATOM 0 HG23 THR B 16 -11.243 -11.937 -27.316 1.00 0.00 H new HETATM 431 N DPR B 17 -12.838 -15.359 -25.387 1.00 0.00 N HETATM 432 CA DPR B 17 -12.225 -16.647 -25.669 1.00 0.00 C HETATM 433 CB DPR B 17 -13.091 -17.663 -24.942 1.00 0.00 C HETATM 434 CG DPR B 17 -13.876 -16.875 -23.906 1.00 0.00 C HETATM 435 CD DPR B 17 -13.748 -15.399 -24.247 1.00 0.00 C HETATM 436 C DPR B 17 -10.765 -16.671 -25.214 1.00 0.00 C HETATM 437 O DPR B 17 -10.401 -17.437 -24.323 1.00 0.00 O HETATM 0 HG3 DPR B 17 -14.923 -17.178 -23.909 1.00 0.00 H new HETATM 0 HG2 DPR B 17 -13.490 -17.070 -22.905 1.00 0.00 H new HETATM 0 HD3 DPR B 17 -13.353 -14.831 -23.405 1.00 0.00 H new HETATM 0 HD2 DPR B 17 -14.716 -14.965 -24.498 1.00 0.00 H new HETATM 0 HB3 DPR B 17 -13.761 -18.173 -25.635 1.00 0.00 H new HETATM 0 HB2 DPR B 17 -12.479 -18.430 -24.468 1.00 0.00 H new HETATM 0 HA DPR B 17 -12.185 -16.869 -26.735 1.00 0.00 H new ATOM 445 N ALA B 18 -9.967 -15.823 -25.847 1.00 0.00 N ATOM 446 CA ALA B 18 -8.554 -15.737 -25.517 1.00 0.00 C ATOM 447 C ALA B 18 -8.400 -15.327 -24.051 1.00 0.00 C ATOM 448 O ALA B 18 -9.248 -15.648 -23.221 1.00 0.00 O ATOM 449 CB ALA B 18 -7.866 -14.759 -26.471 1.00 0.00 C ATOM 0 H ALA B 18 -10.272 -15.190 -26.586 1.00 0.00 H new ATOM 0 HA ALA B 18 -8.072 -16.707 -25.640 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -6.806 -14.694 -26.224 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -7.979 -15.111 -27.496 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -8.322 -13.774 -26.373 1.00 0.00 H new ATOM 455 N VAL B 19 -7.312 -14.623 -23.778 1.00 0.00 N ATOM 456 CA VAL B 19 -7.036 -14.166 -22.426 1.00 0.00 C ATOM 457 C VAL B 19 -7.413 -12.688 -22.306 1.00 0.00 C ATOM 458 O VAL B 19 -7.551 -11.995 -23.313 1.00 0.00 O ATOM 459 CB VAL B 19 -5.575 -14.441 -22.069 1.00 0.00 C ATOM 460 CG1 VAL B 19 -5.275 -15.941 -22.105 1.00 0.00 C ATOM 461 CG2 VAL B 19 -4.629 -13.670 -22.992 1.00 0.00 C ATOM 0 H VAL B 19 -6.611 -14.358 -24.470 1.00 0.00 H new ATOM 0 HA VAL B 19 -7.641 -14.716 -21.705 1.00 0.00 H new ATOM 0 HB VAL B 19 -5.408 -14.090 -21.051 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -4.229 -16.109 -21.847 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -5.913 -16.457 -21.388 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -5.469 -16.327 -23.106 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -3.597 -13.884 -22.716 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.799 -13.975 -24.024 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.817 -12.601 -22.894 1.00 0.00 H new ATOM 471 N GLN B 20 -7.566 -12.248 -21.066 1.00 0.00 N ATOM 472 CA GLN B 20 -7.924 -10.864 -20.801 1.00 0.00 C ATOM 473 C GLN B 20 -6.748 -10.127 -20.156 1.00 0.00 C ATOM 474 O GLN B 20 -6.378 -10.416 -19.019 1.00 0.00 O ATOM 475 CB GLN B 20 -9.173 -10.780 -19.921 1.00 0.00 C ATOM 476 CG GLN B 20 -9.738 -9.358 -19.908 1.00 0.00 C ATOM 477 CD GLN B 20 -9.471 -8.675 -18.565 1.00 0.00 C ATOM 478 OE1 GLN B 20 -8.432 -7.845 -18.577 1.00 0.00 O flip ATOM 479 NE2 GLN B 20 -10.162 -8.888 -17.583 1.00 0.00 N flip ATOM 0 H GLN B 20 -7.449 -12.825 -20.233 1.00 0.00 H new ATOM 0 HA GLN B 20 -8.155 -10.380 -21.750 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -9.930 -11.473 -20.290 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -8.928 -11.087 -18.904 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -9.287 -8.776 -20.712 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -10.811 -9.387 -20.098 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -10.946 -9.538 -17.642 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -9.956 -8.416 -16.702 1.00 0.00 H new ATOM 486 N LYS B 21 -6.195 -9.188 -20.910 1.00 0.00 N ATOM 487 CA LYS B 21 -5.070 -8.406 -20.425 1.00 0.00 C ATOM 488 C LYS B 21 -5.455 -6.926 -20.401 1.00 0.00 C ATOM 489 O LYS B 21 -6.022 -6.412 -21.364 1.00 0.00 O ATOM 490 CB LYS B 21 -3.817 -8.702 -21.253 1.00 0.00 C ATOM 491 CG LYS B 21 -3.963 -8.168 -22.679 1.00 0.00 C ATOM 492 CD LYS B 21 -2.727 -8.498 -23.518 1.00 0.00 C ATOM 493 CE LYS B 21 -3.023 -8.351 -25.012 1.00 0.00 C ATOM 494 NZ LYS B 21 -1.764 -8.329 -25.790 1.00 0.00 N ATOM 0 H LYS B 21 -6.505 -8.951 -21.853 1.00 0.00 H new ATOM 0 HA LYS B 21 -4.823 -8.688 -19.401 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.947 -8.248 -20.778 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.640 -9.777 -21.280 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -4.849 -8.601 -23.144 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -4.112 -7.089 -22.653 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.907 -7.836 -23.239 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.401 -9.516 -23.307 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -3.650 -9.177 -25.347 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -3.583 -7.433 -25.189 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -1.983 -8.229 -26.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -1.179 -7.527 -25.481 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.244 -9.216 -25.635 1.00 0.00 H new ATOM 503 N TRP B 22 -5.133 -6.283 -19.289 1.00 0.00 N ATOM 504 CA TRP B 22 -5.438 -4.871 -19.126 1.00 0.00 C ATOM 505 C TRP B 22 -4.117 -4.099 -19.113 1.00 0.00 C ATOM 506 O TRP B 22 -3.164 -4.505 -18.450 1.00 0.00 O ATOM 507 CB TRP B 22 -6.281 -4.634 -17.872 1.00 0.00 C ATOM 508 CG TRP B 22 -5.459 -4.468 -16.592 1.00 0.00 C ATOM 509 CD1 TRP B 22 -4.587 -5.332 -16.054 1.00 0.00 C ATOM 510 CD2 TRP B 22 -5.467 -3.328 -15.706 1.00 0.00 C ATOM 511 NE1 TRP B 22 -4.035 -4.835 -14.890 1.00 0.00 N ATOM 512 CE2 TRP B 22 -4.588 -3.577 -14.672 1.00 0.00 C ATOM 513 CE3 TRP B 22 -6.194 -2.127 -15.776 1.00 0.00 C ATOM 514 CZ2 TRP B 22 -4.353 -2.673 -13.631 1.00 0.00 C ATOM 515 CZ3 TRP B 22 -5.948 -1.233 -14.728 1.00 0.00 C ATOM 516 CH2 TRP B 22 -5.066 -1.469 -13.680 1.00 0.00 C ATOM 0 H TRP B 22 -4.664 -6.713 -18.492 1.00 0.00 H new ATOM 0 HA TRP B 22 -6.044 -4.509 -19.957 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -6.890 -3.742 -18.019 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -6.968 -5.471 -17.745 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -4.346 -6.296 -16.478 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -3.348 -5.304 -14.299 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -6.888 -1.911 -16.575 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -3.659 -2.892 -12.833 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -6.481 -0.294 -14.734 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -4.931 -0.727 -12.907 1.00 0.00 H new ATOM 526 N HIS B 23 -4.103 -3.001 -19.855 1.00 0.00 N ATOM 527 CA HIS B 23 -2.914 -2.170 -19.937 1.00 0.00 C ATOM 528 C HIS B 23 -3.207 -0.795 -19.335 1.00 0.00 C ATOM 529 O HIS B 23 -4.236 -0.189 -19.634 1.00 0.00 O ATOM 530 CB HIS B 23 -2.405 -2.090 -21.378 1.00 0.00 C ATOM 531 CG HIS B 23 -3.502 -2.044 -22.415 1.00 0.00 C ATOM 532 ND1 HIS B 23 -4.153 -3.177 -22.869 1.00 0.00 N ATOM 533 CD2 HIS B 23 -4.056 -0.990 -23.080 1.00 0.00 C ATOM 534 CE1 HIS B 23 -5.055 -2.811 -23.767 1.00 0.00 C ATOM 535 NE2 HIS B 23 -4.993 -1.454 -23.897 1.00 0.00 N ATOM 0 H HIS B 23 -4.895 -2.668 -20.404 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.111 -2.620 -19.354 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -1.782 -1.202 -21.484 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -1.768 -2.952 -21.576 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -3.779 0.047 -22.962 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -5.722 -3.470 -24.302 1.00 0.00 H new ATOM 0 HE2 HIS B 23 -5.571 -0.890 -24.519 1.00 0.00 H new ATOM 542 N PHE B 24 -2.285 -0.341 -18.498 1.00 0.00 N ATOM 543 CA PHE B 24 -2.432 0.952 -17.853 1.00 0.00 C ATOM 544 C PHE B 24 -1.204 1.831 -18.099 1.00 0.00 C ATOM 545 O PHE B 24 -0.189 1.690 -17.418 1.00 0.00 O ATOM 546 CB PHE B 24 -2.564 0.689 -16.351 1.00 0.00 C ATOM 547 CG PHE B 24 -2.642 1.959 -15.501 1.00 0.00 C ATOM 548 CD1 PHE B 24 -3.555 2.922 -15.801 1.00 0.00 C ATOM 549 CD2 PHE B 24 -1.800 2.125 -14.447 1.00 0.00 C ATOM 550 CE1 PHE B 24 -3.628 4.100 -15.012 1.00 0.00 C ATOM 551 CE2 PHE B 24 -1.873 3.304 -13.658 1.00 0.00 C ATOM 552 CZ PHE B 24 -2.785 4.266 -13.957 1.00 0.00 C ATOM 0 H PHE B 24 -1.434 -0.846 -18.252 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.303 1.471 -18.254 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.458 0.091 -16.175 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.712 0.095 -16.020 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.224 2.790 -16.639 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.075 1.360 -14.209 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.353 4.865 -15.249 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.204 3.436 -12.821 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.841 5.162 -13.357 1.00 0.00 H new ATOM 561 N VAL B 25 -1.338 2.718 -19.073 1.00 0.00 N ATOM 562 CA VAL B 25 -0.251 3.620 -19.417 1.00 0.00 C ATOM 563 C VAL B 25 -0.544 5.008 -18.842 1.00 0.00 C ATOM 564 O VAL B 25 -1.261 5.799 -19.453 1.00 0.00 O ATOM 565 CB VAL B 25 -0.042 3.633 -20.933 1.00 0.00 C ATOM 566 CG1 VAL B 25 0.873 4.787 -21.350 1.00 0.00 C ATOM 567 CG2 VAL B 25 0.509 2.292 -21.422 1.00 0.00 C ATOM 0 H VAL B 25 -2.182 2.832 -19.635 1.00 0.00 H new ATOM 0 HA VAL B 25 0.685 3.276 -18.976 1.00 0.00 H new ATOM 0 HB VAL B 25 -1.013 3.788 -21.404 1.00 0.00 H new ATOM 0 HG11 VAL B 25 1.005 4.774 -22.432 1.00 0.00 H new ATOM 0 HG12 VAL B 25 0.424 5.734 -21.051 1.00 0.00 H new ATOM 0 HG13 VAL B 25 1.843 4.676 -20.864 1.00 0.00 H new ATOM 0 HG21 VAL B 25 0.648 2.328 -22.502 1.00 0.00 H new ATOM 0 HG22 VAL B 25 1.466 2.094 -20.939 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -0.194 1.497 -21.173 1.00 0.00 H new ATOM 577 N LEU B 26 0.026 5.261 -17.673 1.00 0.00 N ATOM 578 CA LEU B 26 -0.165 6.539 -17.009 1.00 0.00 C ATOM 579 C LEU B 26 1.108 7.375 -17.147 1.00 0.00 C ATOM 580 O LEU B 26 2.179 6.959 -16.707 1.00 0.00 O ATOM 581 CB LEU B 26 -0.609 6.328 -15.559 1.00 0.00 C ATOM 582 CG LEU B 26 -1.544 7.393 -14.983 1.00 0.00 C ATOM 583 CD1 LEU B 26 -0.870 8.766 -14.970 1.00 0.00 C ATOM 584 CD2 LEU B 26 -2.877 7.416 -15.733 1.00 0.00 C ATOM 0 H LEU B 26 0.620 4.603 -17.169 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.969 7.100 -17.486 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.106 5.360 -15.489 1.00 0.00 H new ATOM 0 HB3 LEU B 26 0.281 6.276 -14.931 1.00 0.00 H new ATOM 0 HG LEU B 26 -1.762 7.132 -13.947 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.557 9.504 -14.556 1.00 0.00 H new ATOM 0 HD12 LEU B 26 0.030 8.724 -14.357 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -0.603 9.050 -15.988 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -3.523 8.182 -15.304 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -2.699 7.640 -16.785 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -3.360 6.443 -15.646 1.00 0.00 H new HETATM 595 N DPR B 27 0.945 8.570 -17.774 1.00 0.00 N HETATM 596 CA DPR B 27 2.068 9.470 -17.975 1.00 0.00 C HETATM 597 CB DPR B 27 1.442 10.821 -18.281 1.00 0.00 C HETATM 598 CG DPR B 27 0.008 10.530 -18.698 1.00 0.00 C HETATM 599 CD DPR B 27 -0.309 9.096 -18.307 1.00 0.00 C HETATM 600 C DPR B 27 2.979 8.966 -19.097 1.00 0.00 C HETATM 601 O DPR B 27 2.702 9.189 -20.274 1.00 0.00 O HETATM 0 HG3 DPR B 27 -0.679 11.220 -18.209 1.00 0.00 H new HETATM 0 HG2 DPR B 27 -0.113 10.668 -19.772 1.00 0.00 H new HETATM 0 HD3 DPR B 27 -0.648 8.517 -19.166 1.00 0.00 H new HETATM 0 HD2 DPR B 27 -1.104 9.055 -17.562 1.00 0.00 H new HETATM 0 HB3 DPR B 27 1.470 11.472 -17.407 1.00 0.00 H new HETATM 0 HB2 DPR B 27 1.984 11.332 -19.077 1.00 0.00 H new HETATM 0 HA DPR B 27 2.715 9.536 -17.101 1.00 0.00 H new ATOM 609 N GLY B 28 4.049 8.297 -18.691 1.00 0.00 N ATOM 610 CA GLY B 28 5.002 7.760 -19.648 1.00 0.00 C ATOM 611 C GLY B 28 5.502 6.382 -19.208 1.00 0.00 C ATOM 612 O GLY B 28 6.659 6.035 -19.437 1.00 0.00 O ATOM 0 H GLY B 28 4.277 8.115 -17.714 1.00 0.00 H new ATOM 0 HA2 GLY B 28 4.534 7.685 -20.630 1.00 0.00 H new ATOM 0 HA3 GLY B 28 5.846 8.442 -19.748 1.00 0.00 H new ATOM 616 N TYR B 29 4.603 5.633 -18.585 1.00 0.00 N ATOM 617 CA TYR B 29 4.939 4.301 -18.111 1.00 0.00 C ATOM 618 C TYR B 29 4.055 3.244 -18.778 1.00 0.00 C ATOM 619 O TYR B 29 2.833 3.274 -18.637 1.00 0.00 O ATOM 620 CB TYR B 29 4.661 4.306 -16.607 1.00 0.00 C ATOM 621 CG TYR B 29 5.853 4.748 -15.755 1.00 0.00 C ATOM 622 CD1 TYR B 29 6.343 6.033 -15.869 1.00 0.00 C ATOM 623 CD2 TYR B 29 6.439 3.861 -14.875 1.00 0.00 C ATOM 624 CE1 TYR B 29 7.465 6.449 -15.067 1.00 0.00 C ATOM 625 CE2 TYR B 29 7.561 4.277 -14.073 1.00 0.00 C ATOM 626 CZ TYR B 29 8.018 5.550 -14.210 1.00 0.00 C ATOM 627 OH TYR B 29 9.078 5.943 -13.453 1.00 0.00 O ATOM 0 H TYR B 29 3.643 5.923 -18.398 1.00 0.00 H new ATOM 0 HA TYR B 29 5.977 4.061 -18.343 1.00 0.00 H new ATOM 0 HB2 TYR B 29 3.819 4.968 -16.406 1.00 0.00 H new ATOM 0 HB3 TYR B 29 4.360 3.304 -16.300 1.00 0.00 H new ATOM 0 HD1 TYR B 29 5.886 6.726 -16.559 1.00 0.00 H new ATOM 0 HD2 TYR B 29 6.056 2.855 -14.788 1.00 0.00 H new ATOM 0 HE1 TYR B 29 7.858 7.452 -15.145 1.00 0.00 H new ATOM 0 HE2 TYR B 29 8.028 3.594 -13.379 1.00 0.00 H new ATOM 0 HH TYR B 29 9.369 5.198 -12.886 1.00 0.00 H new ATOM 636 N LYS B 30 4.708 2.337 -19.489 1.00 0.00 N ATOM 637 CA LYS B 30 3.997 1.272 -20.177 1.00 0.00 C ATOM 638 C LYS B 30 4.136 -0.027 -19.381 1.00 0.00 C ATOM 639 O LYS B 30 5.141 -0.727 -19.500 1.00 0.00 O ATOM 640 CB LYS B 30 4.473 1.159 -21.626 1.00 0.00 C ATOM 641 CG LYS B 30 3.546 0.254 -22.440 1.00 0.00 C ATOM 642 CD LYS B 30 3.790 0.426 -23.940 1.00 0.00 C ATOM 643 CE LYS B 30 2.644 -0.177 -24.755 1.00 0.00 C ATOM 644 NZ LYS B 30 3.156 -1.209 -25.685 1.00 0.00 N ATOM 0 H LYS B 30 5.721 2.317 -19.604 1.00 0.00 H new ATOM 0 HA LYS B 30 2.932 1.499 -20.232 1.00 0.00 H new ATOM 0 HB2 LYS B 30 4.509 2.150 -22.079 1.00 0.00 H new ATOM 0 HB3 LYS B 30 5.487 0.761 -21.649 1.00 0.00 H new ATOM 0 HG2 LYS B 30 3.709 -0.786 -22.159 1.00 0.00 H new ATOM 0 HG3 LYS B 30 2.507 0.488 -22.208 1.00 0.00 H new ATOM 0 HD2 LYS B 30 3.891 1.485 -24.176 1.00 0.00 H new ATOM 0 HD3 LYS B 30 4.729 -0.053 -24.217 1.00 0.00 H new ATOM 0 HE2 LYS B 30 1.906 -0.617 -24.085 1.00 0.00 H new ATOM 0 HE3 LYS B 30 2.137 0.608 -25.317 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.365 -1.608 -26.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.844 -0.779 -26.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 3.619 -1.966 -25.143 1.00 0.00 H new ATOM 653 N CYS B 31 3.114 -0.310 -18.587 1.00 0.00 N ATOM 654 CA CYS B 31 3.110 -1.512 -17.771 1.00 0.00 C ATOM 655 C CYS B 31 1.936 -2.388 -18.213 1.00 0.00 C ATOM 656 O CYS B 31 0.778 -2.047 -17.974 1.00 0.00 O ATOM 657 CB CYS B 31 3.047 -1.182 -16.278 1.00 0.00 C ATOM 658 SG CYS B 31 4.061 -2.268 -15.209 1.00 0.00 S ATOM 0 H CYS B 31 2.282 0.273 -18.491 1.00 0.00 H new ATOM 0 HA CYS B 31 4.043 -2.057 -17.916 1.00 0.00 H new ATOM 0 HB2 CYS B 31 3.369 -0.151 -16.134 1.00 0.00 H new ATOM 0 HB3 CYS B 31 2.009 -1.240 -15.951 1.00 0.00 H new ATOM 662 N GLU B 32 2.275 -3.499 -18.849 1.00 0.00 N ATOM 663 CA GLU B 32 1.263 -4.427 -19.325 1.00 0.00 C ATOM 664 C GLU B 32 1.432 -5.790 -18.649 1.00 0.00 C ATOM 665 O GLU B 32 2.544 -6.304 -18.551 1.00 0.00 O ATOM 666 CB GLU B 32 1.316 -4.561 -20.849 1.00 0.00 C ATOM 667 CG GLU B 32 0.276 -5.566 -21.348 1.00 0.00 C ATOM 668 CD GLU B 32 0.780 -6.307 -22.588 1.00 0.00 C ATOM 669 OE1 GLU B 32 0.898 -5.703 -23.665 1.00 0.00 O ATOM 670 OE2 GLU B 32 1.056 -7.553 -22.404 1.00 0.00 O ATOM 0 H GLU B 32 3.236 -3.778 -19.046 1.00 0.00 H new ATOM 0 HA GLU B 32 0.282 -4.031 -19.061 1.00 0.00 H new ATOM 0 HB2 GLU B 32 1.138 -3.589 -21.309 1.00 0.00 H new ATOM 0 HB3 GLU B 32 2.312 -4.881 -21.155 1.00 0.00 H new ATOM 0 HG2 GLU B 32 0.050 -6.283 -20.559 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -0.653 -5.047 -21.583 1.00 0.00 H new ATOM 676 N ILE B 33 0.310 -6.335 -18.202 1.00 0.00 N ATOM 677 CA ILE B 33 0.319 -7.627 -17.539 1.00 0.00 C ATOM 678 C ILE B 33 -0.618 -8.583 -18.279 1.00 0.00 C ATOM 679 O ILE B 33 -1.754 -8.228 -18.589 1.00 0.00 O ATOM 680 CB ILE B 33 -0.011 -7.470 -16.053 1.00 0.00 C ATOM 681 CG1 ILE B 33 1.083 -6.685 -15.328 1.00 0.00 C ATOM 682 CG2 ILE B 33 -0.270 -8.830 -15.402 1.00 0.00 C ATOM 683 CD1 ILE B 33 0.652 -6.332 -13.903 1.00 0.00 C ATOM 0 H ILE B 33 -0.611 -5.905 -18.286 1.00 0.00 H new ATOM 0 HA ILE B 33 1.316 -8.066 -17.576 1.00 0.00 H new ATOM 0 HB ILE B 33 -0.931 -6.892 -15.967 1.00 0.00 H new ATOM 0 HG12 ILE B 33 2.000 -7.274 -15.299 1.00 0.00 H new ATOM 0 HG13 ILE B 33 1.308 -5.773 -15.880 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.502 -8.690 -14.346 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.111 -9.316 -15.897 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.618 -9.455 -15.498 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.448 -5.774 -13.410 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.251 -5.723 -13.936 1.00 0.00 H new ATOM 0 HD13 ILE B 33 0.452 -7.247 -13.346 1.00 0.00 H new ATOM 694 N LEU B 34 -0.108 -9.777 -18.543 1.00 0.00 N ATOM 695 CA LEU B 34 -0.885 -10.786 -19.242 1.00 0.00 C ATOM 696 C LEU B 34 -1.350 -11.847 -18.243 1.00 0.00 C ATOM 697 O LEU B 34 -0.576 -12.287 -17.393 1.00 0.00 O ATOM 698 CB LEU B 34 -0.091 -11.355 -20.419 1.00 0.00 C ATOM 699 CG LEU B 34 0.910 -12.462 -20.080 1.00 0.00 C ATOM 700 CD1 LEU B 34 0.342 -13.839 -20.428 1.00 0.00 C ATOM 701 CD2 LEU B 34 2.258 -12.209 -20.758 1.00 0.00 C ATOM 0 H LEU B 34 0.835 -10.068 -18.285 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.781 -10.343 -19.678 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -0.796 -11.743 -21.154 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.449 -10.537 -20.896 1.00 0.00 H new ATOM 0 HG LEU B 34 1.084 -12.448 -19.004 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.073 -14.608 -20.177 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -0.573 -14.009 -19.860 1.00 0.00 H new ATOM 0 HD13 LEU B 34 0.121 -13.882 -21.494 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.951 -13.010 -20.501 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.122 -12.180 -21.839 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.663 -11.256 -20.418 1.00 0.00 H new ATOM 712 N ALA B 35 -2.612 -12.229 -18.378 1.00 0.00 N ATOM 713 CA ALA B 35 -3.188 -13.231 -17.497 1.00 0.00 C ATOM 714 C ALA B 35 -3.648 -14.430 -18.329 1.00 0.00 C ATOM 715 O ALA B 35 -4.345 -15.309 -17.825 1.00 0.00 O ATOM 716 CB ALA B 35 -4.330 -12.607 -16.693 1.00 0.00 C ATOM 0 H ALA B 35 -3.251 -11.863 -19.084 1.00 0.00 H new ATOM 0 HA ALA B 35 -2.445 -13.589 -16.784 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -4.762 -13.358 -16.032 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -3.946 -11.778 -16.098 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -5.097 -12.239 -17.375 1.00 0.00 H new TER 722 ALA B 35