USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 741 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 1 GLY N :NH3+ 154:sc= 0.0113 (180deg=-0.213) USER MOD Set 1.2: A 89 SER OG : rot 120:sc= 0.0135 USER MOD Set 2.1: A 65 HIS : no HD1:sc= 1.52 K(o=2.5,f=-7.8!) USER MOD Set 2.2: B 95 THR OG1 : rot -45:sc= 0.991 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 10 CYS SG : rot 180:sc= 0.925 USER MOD Set 4.2: A 81 THR OG1 : rot -40:sc= 1.07 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.38) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.401 K(o=-0.4,f=-0.98) USER MOD Single : A 14 GLN : amide:sc= -0.0188 K(o=-0.019,f=-0.53) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.179 K(o=-0.18,f=-3.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.87! C(o=-3.9!,f=-6.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.267 K(o=-0.27,f=-1.8!) USER MOD Single : A 48 THR OG1 : rot 80:sc= 1.29 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.75! C(o=-3.7!,f=-12!) USER MOD Single : A 58 THR OG1 : rot -53:sc= 0.534 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.0823 X(o=-0.082,f=-0.012) USER MOD Single : A 63 SER OG : rot 111:sc= 0.0322 USER MOD Single : A 64 ASN : amide:sc= -0.082 K(o=-0.082,f=-1.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -2.82! C(o=-2.8!,f=-1.9!) USER MOD Single : B 92 ASN : amide:sc= -0.0539 X(o=-0.054,f=-0.11) USER MOD Single : B 93 LYS NZ :NH3+ -129:sc= -0.472 (180deg=-3.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.825 5.499 -16.101 1.00 0.00 N ATOM 2 CA GLY A 1 21.673 6.813 -15.409 1.00 0.00 C ATOM 3 C GLY A 1 21.294 7.942 -16.354 1.00 0.00 C ATOM 4 O GLY A 1 20.260 8.588 -16.171 1.00 0.00 O ATOM 0 H1 GLY A 1 22.477 4.895 -15.561 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.898 5.033 -16.169 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.206 5.652 -17.056 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.911 6.724 -14.635 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.608 7.064 -14.908 1.00 0.00 H new ATOM 10 N SER A 2 22.133 8.187 -17.362 1.00 0.00 N ATOM 11 CA SER A 2 21.884 9.252 -18.334 1.00 0.00 C ATOM 12 C SER A 2 20.596 8.999 -19.120 1.00 0.00 C ATOM 13 O SER A 2 20.363 7.891 -19.610 1.00 0.00 O ATOM 14 CB SER A 2 23.069 9.387 -19.296 1.00 0.00 C ATOM 15 OG SER A 2 23.317 10.747 -19.609 1.00 0.00 O ATOM 0 H SER A 2 22.992 7.661 -17.526 1.00 0.00 H new ATOM 0 HA SER A 2 21.766 10.184 -17.781 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.959 8.945 -18.847 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.864 8.831 -20.211 1.00 0.00 H new ATOM 0 HG SER A 2 24.079 10.808 -20.223 1.00 0.00 H new ATOM 21 N HIS A 3 19.764 10.040 -19.234 1.00 0.00 N ATOM 22 CA HIS A 3 18.492 9.954 -19.956 1.00 0.00 C ATOM 23 C HIS A 3 17.576 8.880 -19.354 1.00 0.00 C ATOM 24 O HIS A 3 16.897 8.150 -20.080 1.00 0.00 O ATOM 25 CB HIS A 3 18.745 9.673 -21.442 1.00 0.00 C ATOM 26 CG HIS A 3 17.818 10.403 -22.369 1.00 0.00 C ATOM 27 ND1 HIS A 3 17.413 11.708 -22.166 1.00 0.00 N ATOM 28 CD2 HIS A 3 17.222 10.002 -23.516 1.00 0.00 C ATOM 29 CE1 HIS A 3 16.609 12.074 -23.149 1.00 0.00 C ATOM 30 NE2 HIS A 3 16.478 11.058 -23.981 1.00 0.00 N ATOM 0 H HIS A 3 19.952 10.958 -18.832 1.00 0.00 H new ATOM 0 HA HIS A 3 17.984 10.914 -19.858 1.00 0.00 H new ATOM 0 HB2 HIS A 3 19.772 9.946 -21.683 1.00 0.00 H new ATOM 0 HB3 HIS A 3 18.650 8.602 -21.620 1.00 0.00 H new ATOM 0 HD2 HIS A 3 17.315 9.031 -23.980 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.139 13.041 -23.254 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.915 11.057 -24.832 1.00 0.00 H new ATOM 39 N MET A 4 17.554 8.798 -18.019 1.00 0.00 N ATOM 40 CA MET A 4 16.718 7.824 -17.317 1.00 0.00 C ATOM 41 C MET A 4 15.365 8.434 -16.943 1.00 0.00 C ATOM 42 O MET A 4 15.245 9.651 -16.795 1.00 0.00 O ATOM 43 CB MET A 4 17.429 7.321 -16.056 1.00 0.00 C ATOM 44 CG MET A 4 18.261 6.069 -16.282 1.00 0.00 C ATOM 45 SD MET A 4 18.401 5.052 -14.798 1.00 0.00 S ATOM 46 CE MET A 4 16.863 4.135 -14.865 1.00 0.00 C ATOM 0 H MET A 4 18.107 9.396 -17.405 1.00 0.00 H new ATOM 0 HA MET A 4 16.545 6.983 -17.988 1.00 0.00 H new ATOM 0 HB2 MET A 4 18.075 8.112 -15.674 1.00 0.00 H new ATOM 0 HB3 MET A 4 16.684 7.118 -15.286 1.00 0.00 H new ATOM 0 HG2 MET A 4 17.813 5.479 -17.081 1.00 0.00 H new ATOM 0 HG3 MET A 4 19.258 6.355 -16.617 1.00 0.00 H new ATOM 0 HE1 MET A 4 16.804 3.461 -14.010 1.00 0.00 H new ATOM 0 HE2 MET A 4 16.024 4.830 -14.838 1.00 0.00 H new ATOM 0 HE3 MET A 4 16.825 3.555 -15.787 1.00 0.00 H new ATOM 56 N GLY A 5 14.351 7.577 -16.790 1.00 0.00 N ATOM 57 CA GLY A 5 13.018 8.045 -16.436 1.00 0.00 C ATOM 58 C GLY A 5 12.397 7.249 -15.299 1.00 0.00 C ATOM 59 O GLY A 5 12.995 7.115 -14.228 1.00 0.00 O ATOM 0 H GLY A 5 14.431 6.567 -16.905 1.00 0.00 H new ATOM 0 HA2 GLY A 5 13.070 9.096 -16.151 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.372 7.984 -17.312 1.00 0.00 H new ATOM 63 N LEU A 6 11.192 6.723 -15.533 1.00 0.00 N ATOM 64 CA LEU A 6 10.480 5.936 -14.525 1.00 0.00 C ATOM 65 C LEU A 6 9.460 4.999 -15.175 1.00 0.00 C ATOM 66 O LEU A 6 8.936 5.288 -16.253 1.00 0.00 O ATOM 67 CB LEU A 6 9.795 6.858 -13.499 1.00 0.00 C ATOM 68 CG LEU A 6 8.560 7.636 -13.989 1.00 0.00 C ATOM 69 CD1 LEU A 6 8.837 8.332 -15.315 1.00 0.00 C ATOM 70 CD2 LEU A 6 7.349 6.717 -14.107 1.00 0.00 C ATOM 0 H LEU A 6 10.689 6.829 -16.414 1.00 0.00 H new ATOM 0 HA LEU A 6 11.212 5.322 -14.001 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.499 6.253 -12.642 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.532 7.578 -13.142 1.00 0.00 H new ATOM 0 HG LEU A 6 8.336 8.403 -13.247 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.946 8.873 -15.635 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.663 9.033 -15.193 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.100 7.589 -16.068 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.490 7.290 -14.455 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.565 5.920 -14.818 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.125 6.283 -13.132 1.00 0.00 H new ATOM 82 N VAL A 7 9.185 3.871 -14.512 1.00 0.00 N ATOM 83 CA VAL A 7 8.230 2.889 -15.025 1.00 0.00 C ATOM 84 C VAL A 7 7.201 2.506 -13.959 1.00 0.00 C ATOM 85 O VAL A 7 7.548 2.273 -12.798 1.00 0.00 O ATOM 86 CB VAL A 7 8.946 1.612 -15.526 1.00 0.00 C ATOM 87 CG1 VAL A 7 7.970 0.683 -16.236 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.105 1.972 -16.445 1.00 0.00 C ATOM 0 H VAL A 7 9.611 3.617 -13.620 1.00 0.00 H new ATOM 0 HA VAL A 7 7.716 3.358 -15.864 1.00 0.00 H new ATOM 0 HB VAL A 7 9.344 1.086 -14.658 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.498 -0.207 -16.578 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.178 0.392 -15.546 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.535 1.198 -17.092 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.595 1.060 -16.786 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.729 2.526 -17.305 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.822 2.588 -15.902 1.00 0.00 H new ATOM 98 N GLN A 8 5.933 2.440 -14.369 1.00 0.00 N ATOM 99 CA GLN A 8 4.840 2.083 -13.464 1.00 0.00 C ATOM 100 C GLN A 8 4.467 0.608 -13.624 1.00 0.00 C ATOM 101 O GLN A 8 4.376 0.102 -14.744 1.00 0.00 O ATOM 102 CB GLN A 8 3.621 2.970 -13.743 1.00 0.00 C ATOM 103 CG GLN A 8 2.442 2.721 -12.811 1.00 0.00 C ATOM 104 CD GLN A 8 1.118 2.636 -13.551 1.00 0.00 C ATOM 105 OE1 GLN A 8 1.048 2.112 -14.664 1.00 0.00 O ATOM 106 NE2 GLN A 8 0.058 3.151 -12.937 1.00 0.00 N ATOM 0 H GLN A 8 5.637 2.630 -15.326 1.00 0.00 H new ATOM 0 HA GLN A 8 5.171 2.244 -12.438 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.920 4.015 -13.662 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.297 2.810 -14.771 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.607 1.794 -12.262 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.391 3.523 -12.074 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.159 3.576 -12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.857 3.121 -13.387 1.00 0.00 H new ATOM 115 N ARG A 9 4.259 -0.076 -12.497 1.00 0.00 N ATOM 116 CA ARG A 9 3.903 -1.495 -12.512 1.00 0.00 C ATOM 117 C ARG A 9 3.029 -1.877 -11.311 1.00 0.00 C ATOM 118 O ARG A 9 3.070 -1.227 -10.265 1.00 0.00 O ATOM 119 CB ARG A 9 5.171 -2.354 -12.526 1.00 0.00 C ATOM 120 CG ARG A 9 6.049 -2.172 -11.297 1.00 0.00 C ATOM 121 CD ARG A 9 7.085 -3.278 -11.187 1.00 0.00 C ATOM 122 NE ARG A 9 6.488 -4.556 -10.792 1.00 0.00 N ATOM 123 CZ ARG A 9 7.074 -5.744 -10.975 1.00 0.00 C ATOM 124 NH1 ARG A 9 8.276 -5.824 -11.541 1.00 0.00 N ATOM 125 NH2 ARG A 9 6.456 -6.854 -10.589 1.00 0.00 N ATOM 0 H ARG A 9 4.331 0.330 -11.564 1.00 0.00 H new ATOM 0 HA ARG A 9 3.324 -1.680 -13.417 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.887 -3.403 -12.606 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.753 -2.112 -13.416 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.550 -1.205 -11.346 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.427 -2.163 -10.402 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.592 -3.396 -12.145 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.844 -2.992 -10.458 1.00 0.00 H new ATOM 0 HE ARG A 9 5.569 -4.539 -10.350 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.757 -4.975 -11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.716 -6.734 -11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.535 -6.800 -10.153 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.902 -7.761 -10.728 1.00 0.00 H new ATOM 139 N CYS A 10 2.245 -2.942 -11.474 1.00 0.00 N ATOM 140 CA CYS A 10 1.361 -3.425 -10.412 1.00 0.00 C ATOM 141 C CYS A 10 1.970 -4.632 -9.698 1.00 0.00 C ATOM 142 O CYS A 10 2.506 -5.536 -10.343 1.00 0.00 O ATOM 143 CB CYS A 10 -0.004 -3.803 -10.996 1.00 0.00 C ATOM 144 SG CYS A 10 -1.403 -3.479 -9.897 1.00 0.00 S ATOM 0 H CYS A 10 2.204 -3.489 -12.334 1.00 0.00 H new ATOM 0 HA CYS A 10 1.235 -2.623 -9.685 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.153 -3.253 -11.925 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.004 -4.863 -11.251 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.508 -3.831 -10.485 1.00 0.00 H new ATOM 150 N VAL A 11 1.881 -4.644 -8.366 1.00 0.00 N ATOM 151 CA VAL A 11 2.418 -5.749 -7.567 1.00 0.00 C ATOM 152 C VAL A 11 1.350 -6.328 -6.639 1.00 0.00 C ATOM 153 O VAL A 11 0.652 -5.590 -5.942 1.00 0.00 O ATOM 154 CB VAL A 11 3.641 -5.314 -6.726 1.00 0.00 C ATOM 155 CG1 VAL A 11 4.855 -5.094 -7.618 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.330 -4.062 -5.914 1.00 0.00 C ATOM 0 H VAL A 11 1.443 -3.903 -7.819 1.00 0.00 H new ATOM 0 HA VAL A 11 2.738 -6.515 -8.273 1.00 0.00 H new ATOM 0 HB VAL A 11 3.872 -6.117 -6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.705 -4.789 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.097 -6.021 -8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.634 -4.315 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.207 -3.778 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.063 -3.248 -6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.497 -4.263 -5.240 1.00 0.00 H new ATOM 166 N ILE A 12 1.228 -7.655 -6.639 1.00 0.00 N ATOM 167 CA ILE A 12 0.245 -8.340 -5.800 1.00 0.00 C ATOM 168 C ILE A 12 0.873 -8.796 -4.485 1.00 0.00 C ATOM 169 O ILE A 12 1.793 -9.617 -4.480 1.00 0.00 O ATOM 170 CB ILE A 12 -0.363 -9.566 -6.524 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.841 -9.187 -7.932 1.00 0.00 C ATOM 172 CG2 ILE A 12 -1.511 -10.149 -5.709 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.235 -9.298 -8.994 1.00 0.00 C ATOM 0 H ILE A 12 1.798 -8.278 -7.211 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.550 -7.624 -5.593 1.00 0.00 H new ATOM 0 HB ILE A 12 0.414 -10.324 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.677 -9.830 -8.207 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.217 -8.164 -7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.928 -11.010 -6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.142 -10.461 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.286 -9.393 -5.580 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.178 -9.014 -9.962 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.063 -8.634 -8.744 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.595 -10.326 -9.041 1.00 0.00 H new ATOM 185 N ILE A 13 0.375 -8.257 -3.370 1.00 0.00 N ATOM 186 CA ILE A 13 0.891 -8.606 -2.047 1.00 0.00 C ATOM 187 C ILE A 13 -0.142 -9.387 -1.232 1.00 0.00 C ATOM 188 O ILE A 13 -1.299 -8.973 -1.120 1.00 0.00 O ATOM 189 CB ILE A 13 1.312 -7.347 -1.250 1.00 0.00 C ATOM 190 CG1 ILE A 13 2.226 -6.451 -2.096 1.00 0.00 C ATOM 191 CG2 ILE A 13 2.010 -7.742 0.045 1.00 0.00 C ATOM 192 CD1 ILE A 13 1.883 -4.980 -2.007 1.00 0.00 C ATOM 0 H ILE A 13 -0.385 -7.577 -3.358 1.00 0.00 H new ATOM 0 HA ILE A 13 1.767 -9.233 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 13 0.412 -6.785 -1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.258 -6.595 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.167 -6.767 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.298 -6.844 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.332 -8.337 0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.900 -8.328 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.570 -4.408 -2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.862 -4.823 -2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.970 -4.648 -0.972 1.00 0.00 H new ATOM 204 N GLN A 14 0.291 -10.513 -0.657 1.00 0.00 N ATOM 205 CA GLN A 14 -0.581 -11.355 0.161 1.00 0.00 C ATOM 206 C GLN A 14 -0.277 -11.158 1.648 1.00 0.00 C ATOM 207 O GLN A 14 0.813 -11.494 2.113 1.00 0.00 O ATOM 208 CB GLN A 14 -0.403 -12.832 -0.214 1.00 0.00 C ATOM 209 CG GLN A 14 -1.381 -13.765 0.491 1.00 0.00 C ATOM 210 CD GLN A 14 -1.457 -15.138 -0.157 1.00 0.00 C ATOM 211 OE1 GLN A 14 -1.493 -15.258 -1.383 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.487 -16.185 0.662 1.00 0.00 N ATOM 0 H GLN A 14 1.245 -10.862 -0.745 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.614 -11.062 -0.029 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.523 -12.941 -1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.615 -13.139 0.026 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.082 -13.876 1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.373 -13.312 0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.455 -16.044 1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.542 -17.129 0.281 1.00 0.00 H new ATOM 221 N LYS A 15 -1.245 -10.611 2.384 1.00 0.00 N ATOM 222 CA LYS A 15 -1.082 -10.367 3.817 1.00 0.00 C ATOM 223 C LYS A 15 -0.905 -11.678 4.585 1.00 0.00 C ATOM 224 O LYS A 15 -1.551 -12.681 4.277 1.00 0.00 O ATOM 225 CB LYS A 15 -2.291 -9.603 4.367 1.00 0.00 C ATOM 226 CG LYS A 15 -2.057 -8.996 5.743 1.00 0.00 C ATOM 227 CD LYS A 15 -3.361 -8.841 6.514 1.00 0.00 C ATOM 228 CE LYS A 15 -3.606 -10.026 7.439 1.00 0.00 C ATOM 229 NZ LYS A 15 -3.661 -9.622 8.874 1.00 0.00 N ATOM 0 H LYS A 15 -2.151 -10.328 2.011 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.183 -9.765 3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.556 -8.808 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.144 -10.279 4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.372 -9.627 6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.579 -8.022 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.332 -7.921 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.191 -8.747 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.543 -10.511 7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.814 -10.762 7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.829 -10.461 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.758 -9.183 9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.434 -8.940 9.013 1.00 0.00 H new ATOM 243 N ASP A 16 -0.023 -11.656 5.584 1.00 0.00 N ATOM 244 CA ASP A 16 0.252 -12.834 6.404 1.00 0.00 C ATOM 245 C ASP A 16 -0.187 -12.611 7.851 1.00 0.00 C ATOM 246 O ASP A 16 -0.766 -11.572 8.180 1.00 0.00 O ATOM 247 CB ASP A 16 1.747 -13.166 6.354 1.00 0.00 C ATOM 248 CG ASP A 16 2.009 -14.658 6.270 1.00 0.00 C ATOM 249 OD1 ASP A 16 1.645 -15.268 5.244 1.00 0.00 O ATOM 250 OD2 ASP A 16 2.575 -15.214 7.234 1.00 0.00 O ATOM 0 H ASP A 16 0.516 -10.830 5.845 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.318 -13.672 6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.197 -12.672 5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.235 -12.764 7.242 1.00 0.00 H new ATOM 255 N ASP A 17 0.095 -13.589 8.715 1.00 0.00 N ATOM 256 CA ASP A 17 -0.265 -13.495 10.131 1.00 0.00 C ATOM 257 C ASP A 17 0.332 -12.242 10.773 1.00 0.00 C ATOM 258 O ASP A 17 -0.283 -11.632 11.650 1.00 0.00 O ATOM 259 CB ASP A 17 0.206 -14.739 10.889 1.00 0.00 C ATOM 260 CG ASP A 17 -0.623 -15.000 12.133 1.00 0.00 C ATOM 261 OD1 ASP A 17 -1.789 -15.424 11.989 1.00 0.00 O ATOM 262 OD2 ASP A 17 -0.108 -14.774 13.247 1.00 0.00 O ATOM 0 H ASP A 17 0.571 -14.454 8.459 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.351 -13.429 10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.152 -15.606 10.230 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.252 -14.617 11.170 1.00 0.00 H new ATOM 267 N ASN A 18 1.532 -11.862 10.328 1.00 0.00 N ATOM 268 CA ASN A 18 2.217 -10.679 10.853 1.00 0.00 C ATOM 269 C ASN A 18 1.969 -9.441 9.976 1.00 0.00 C ATOM 270 O ASN A 18 2.660 -8.429 10.116 1.00 0.00 O ATOM 271 CB ASN A 18 3.727 -10.945 10.974 1.00 0.00 C ATOM 272 CG ASN A 18 4.375 -11.364 9.659 1.00 0.00 C ATOM 273 OD1 ASN A 18 3.746 -11.340 8.601 1.00 0.00 O ATOM 274 ND2 ASN A 18 5.646 -11.754 9.722 1.00 0.00 N ATOM 0 H ASN A 18 2.050 -12.358 9.603 1.00 0.00 H new ATOM 0 HA ASN A 18 1.807 -10.475 11.842 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.219 -10.045 11.342 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.893 -11.725 11.717 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.132 -12.047 8.874 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.134 -11.760 10.618 1.00 0.00 H new ATOM 281 N GLY A 19 0.981 -9.520 9.077 1.00 0.00 N ATOM 282 CA GLY A 19 0.674 -8.398 8.204 1.00 0.00 C ATOM 283 C GLY A 19 1.541 -8.375 6.955 1.00 0.00 C ATOM 284 O GLY A 19 2.163 -9.379 6.604 1.00 0.00 O ATOM 0 H GLY A 19 0.391 -10.341 8.941 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.375 -8.446 7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.810 -7.467 8.754 1.00 0.00 H new ATOM 288 N PHE A 20 1.580 -7.222 6.285 1.00 0.00 N ATOM 289 CA PHE A 20 2.377 -7.064 5.068 1.00 0.00 C ATOM 290 C PHE A 20 3.846 -6.804 5.403 1.00 0.00 C ATOM 291 O PHE A 20 4.743 -7.340 4.749 1.00 0.00 O ATOM 292 CB PHE A 20 1.840 -5.911 4.215 1.00 0.00 C ATOM 293 CG PHE A 20 0.398 -6.067 3.819 1.00 0.00 C ATOM 294 CD1 PHE A 20 0.039 -6.882 2.757 1.00 0.00 C ATOM 295 CD2 PHE A 20 -0.599 -5.394 4.507 1.00 0.00 C ATOM 296 CE1 PHE A 20 -1.285 -7.021 2.389 1.00 0.00 C ATOM 297 CE2 PHE A 20 -1.925 -5.531 4.145 1.00 0.00 C ATOM 298 CZ PHE A 20 -2.269 -6.345 3.083 1.00 0.00 C ATOM 0 H PHE A 20 1.069 -6.385 6.565 1.00 0.00 H new ATOM 0 HA PHE A 20 2.302 -7.994 4.504 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.956 -4.979 4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.447 -5.825 3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.803 -7.415 2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.336 -4.754 5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.551 -7.658 1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.692 -5.002 4.692 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.305 -6.452 2.796 1.00 0.00 H new ATOM 308 N GLY A 21 4.081 -5.972 6.420 1.00 0.00 N ATOM 309 CA GLY A 21 5.439 -5.648 6.822 1.00 0.00 C ATOM 310 C GLY A 21 6.046 -4.529 5.992 1.00 0.00 C ATOM 311 O GLY A 21 7.241 -4.552 5.700 1.00 0.00 O ATOM 0 H GLY A 21 3.353 -5.518 6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.443 -5.358 7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.062 -6.538 6.734 1.00 0.00 H new ATOM 315 N LEU A 22 5.229 -3.544 5.614 1.00 0.00 N ATOM 316 CA LEU A 22 5.712 -2.419 4.816 1.00 0.00 C ATOM 317 C LEU A 22 5.128 -1.096 5.304 1.00 0.00 C ATOM 318 O LEU A 22 4.015 -1.050 5.833 1.00 0.00 O ATOM 319 CB LEU A 22 5.384 -2.616 3.329 1.00 0.00 C ATOM 320 CG LEU A 22 3.972 -3.128 3.021 1.00 0.00 C ATOM 321 CD1 LEU A 22 2.938 -2.034 3.243 1.00 0.00 C ATOM 322 CD2 LEU A 22 3.892 -3.653 1.592 1.00 0.00 C ATOM 0 H LEU A 22 4.237 -3.503 5.846 1.00 0.00 H new ATOM 0 HA LEU A 22 6.795 -2.382 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.526 -1.665 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.105 -3.316 2.907 1.00 0.00 H new ATOM 0 HG LEU A 22 3.753 -3.948 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.944 -2.421 3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.973 -1.706 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.155 -1.190 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.882 -4.012 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.136 -2.851 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.600 -4.472 1.465 1.00 0.00 H new ATOM 334 N THR A 23 5.891 -0.023 5.110 1.00 0.00 N ATOM 335 CA THR A 23 5.468 1.313 5.513 1.00 0.00 C ATOM 336 C THR A 23 5.273 2.199 4.286 1.00 0.00 C ATOM 337 O THR A 23 6.130 2.239 3.402 1.00 0.00 O ATOM 338 CB THR A 23 6.505 1.939 6.449 1.00 0.00 C ATOM 339 OG1 THR A 23 6.886 1.028 7.465 1.00 0.00 O ATOM 340 CG2 THR A 23 6.019 3.207 7.119 1.00 0.00 C ATOM 0 H THR A 23 6.812 -0.055 4.673 1.00 0.00 H new ATOM 0 HA THR A 23 4.519 1.230 6.043 1.00 0.00 H new ATOM 0 HB THR A 23 7.353 2.188 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.550 1.449 8.050 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.802 3.599 7.768 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.773 3.949 6.359 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.132 2.988 7.713 1.00 0.00 H new ATOM 348 N VAL A 24 4.144 2.903 4.233 1.00 0.00 N ATOM 349 CA VAL A 24 3.842 3.783 3.106 1.00 0.00 C ATOM 350 C VAL A 24 3.364 5.152 3.587 1.00 0.00 C ATOM 351 O VAL A 24 2.626 5.252 4.569 1.00 0.00 O ATOM 352 CB VAL A 24 2.770 3.163 2.184 1.00 0.00 C ATOM 353 CG1 VAL A 24 2.708 3.902 0.857 1.00 0.00 C ATOM 354 CG2 VAL A 24 3.042 1.679 1.959 1.00 0.00 C ATOM 0 H VAL A 24 3.425 2.881 4.956 1.00 0.00 H new ATOM 0 HA VAL A 24 4.766 3.907 2.542 1.00 0.00 H new ATOM 0 HB VAL A 24 1.803 3.262 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.946 3.448 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.457 4.948 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.677 3.841 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.274 1.263 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.020 1.555 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.027 1.157 2.916 1.00 0.00 H new ATOM 364 N SER A 25 3.789 6.206 2.886 1.00 0.00 N ATOM 365 CA SER A 25 3.411 7.573 3.242 1.00 0.00 C ATOM 366 C SER A 25 3.116 8.412 1.999 1.00 0.00 C ATOM 367 O SER A 25 3.520 8.062 0.888 1.00 0.00 O ATOM 368 CB SER A 25 4.529 8.240 4.057 1.00 0.00 C ATOM 369 OG SER A 25 5.330 7.281 4.729 1.00 0.00 O ATOM 0 H SER A 25 4.395 6.137 2.069 1.00 0.00 H new ATOM 0 HA SER A 25 2.504 7.518 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.155 8.838 3.395 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.091 8.923 4.785 1.00 0.00 H new ATOM 0 HG SER A 25 6.032 7.739 5.236 1.00 0.00 H new ATOM 375 N GLY A 26 2.417 9.531 2.202 1.00 0.00 N ATOM 376 CA GLY A 26 2.086 10.420 1.099 1.00 0.00 C ATOM 377 C GLY A 26 0.731 10.129 0.480 1.00 0.00 C ATOM 378 O GLY A 26 0.233 9.004 0.559 1.00 0.00 O ATOM 0 H GLY A 26 2.074 9.836 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.102 11.450 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.854 10.336 0.331 1.00 0.00 H new ATOM 382 N ASP A 27 0.142 11.151 -0.144 1.00 0.00 N ATOM 383 CA ASP A 27 -1.160 11.018 -0.796 1.00 0.00 C ATOM 384 C ASP A 27 -0.994 10.949 -2.313 1.00 0.00 C ATOM 385 O ASP A 27 0.133 10.893 -2.802 1.00 0.00 O ATOM 386 CB ASP A 27 -2.068 12.197 -0.416 1.00 0.00 C ATOM 387 CG ASP A 27 -3.518 11.794 -0.192 1.00 0.00 C ATOM 388 OD1 ASP A 27 -3.923 10.710 -0.665 1.00 0.00 O ATOM 389 OD2 ASP A 27 -4.251 12.569 0.455 1.00 0.00 O ATOM 0 H ASP A 27 0.549 12.084 -0.211 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.624 10.093 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.684 12.664 0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.025 12.948 -1.205 1.00 0.00 H new ATOM 394 N ASN A 28 -2.125 10.941 -3.044 1.00 0.00 N ATOM 395 CA ASN A 28 -2.125 10.861 -4.514 1.00 0.00 C ATOM 396 C ASN A 28 -0.977 9.963 -5.002 1.00 0.00 C ATOM 397 O ASN A 28 -1.131 8.741 -5.000 1.00 0.00 O ATOM 398 CB ASN A 28 -2.080 12.262 -5.139 1.00 0.00 C ATOM 399 CG ASN A 28 -3.437 12.939 -5.152 1.00 0.00 C ATOM 400 OD1 ASN A 28 -4.398 12.415 -5.712 1.00 0.00 O ATOM 401 ND2 ASN A 28 -3.524 14.112 -4.534 1.00 0.00 N ATOM 0 H ASN A 28 -3.058 10.990 -2.634 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.057 10.401 -4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.375 12.881 -4.584 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.705 12.188 -6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.413 14.612 -4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.702 14.512 -4.081 1.00 0.00 H new ATOM 408 N PRO A 29 0.213 10.514 -5.368 1.00 0.00 N ATOM 409 CA PRO A 29 1.346 9.684 -5.771 1.00 0.00 C ATOM 410 C PRO A 29 2.018 9.089 -4.532 1.00 0.00 C ATOM 411 O PRO A 29 3.171 9.397 -4.224 1.00 0.00 O ATOM 412 CB PRO A 29 2.269 10.676 -6.476 1.00 0.00 C ATOM 413 CG PRO A 29 2.029 11.963 -5.769 1.00 0.00 C ATOM 414 CD PRO A 29 0.580 11.952 -5.357 1.00 0.00 C ATOM 0 HA PRO A 29 1.073 8.841 -6.406 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.313 10.370 -6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.033 10.755 -7.537 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.680 12.057 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.242 12.811 -6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.443 12.391 -4.369 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.036 12.526 -6.049 1.00 0.00 H new ATOM 422 N VAL A 30 1.262 8.260 -3.809 1.00 0.00 N ATOM 423 CA VAL A 30 1.743 7.638 -2.578 1.00 0.00 C ATOM 424 C VAL A 30 3.098 6.966 -2.796 1.00 0.00 C ATOM 425 O VAL A 30 3.393 6.492 -3.894 1.00 0.00 O ATOM 426 CB VAL A 30 0.729 6.603 -2.040 1.00 0.00 C ATOM 427 CG1 VAL A 30 1.187 6.041 -0.704 1.00 0.00 C ATOM 428 CG2 VAL A 30 -0.659 7.219 -1.911 1.00 0.00 C ATOM 0 H VAL A 30 0.307 8.004 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 30 1.857 8.431 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 30 0.675 5.783 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.457 5.315 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.154 5.553 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.278 6.851 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.355 6.471 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.620 8.062 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.996 7.564 -2.888 1.00 0.00 H new ATOM 438 N PHE A 31 3.927 6.932 -1.757 1.00 0.00 N ATOM 439 CA PHE A 31 5.248 6.319 -1.866 1.00 0.00 C ATOM 440 C PHE A 31 5.551 5.410 -0.677 1.00 0.00 C ATOM 441 O PHE A 31 5.306 5.770 0.475 1.00 0.00 O ATOM 442 CB PHE A 31 6.333 7.394 -2.003 1.00 0.00 C ATOM 443 CG PHE A 31 6.291 8.453 -0.936 1.00 0.00 C ATOM 444 CD1 PHE A 31 5.457 9.553 -1.063 1.00 0.00 C ATOM 445 CD2 PHE A 31 7.088 8.351 0.193 1.00 0.00 C ATOM 446 CE1 PHE A 31 5.418 10.528 -0.085 1.00 0.00 C ATOM 447 CE2 PHE A 31 7.054 9.322 1.174 1.00 0.00 C ATOM 448 CZ PHE A 31 6.218 10.413 1.035 1.00 0.00 C ATOM 0 H PHE A 31 3.711 7.318 -0.838 1.00 0.00 H new ATOM 0 HA PHE A 31 5.246 5.701 -2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.310 6.912 -1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.234 7.872 -2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.830 9.649 -1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.744 7.501 0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.763 11.379 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.680 9.229 2.049 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.190 11.174 1.800 1.00 0.00 H new ATOM 458 N VAL A 32 6.102 4.232 -0.974 1.00 0.00 N ATOM 459 CA VAL A 32 6.462 3.266 0.059 1.00 0.00 C ATOM 460 C VAL A 32 7.793 3.657 0.699 1.00 0.00 C ATOM 461 O VAL A 32 8.783 3.880 0.002 1.00 0.00 O ATOM 462 CB VAL A 32 6.577 1.833 -0.510 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.764 0.820 0.610 1.00 0.00 C ATOM 464 CG2 VAL A 32 5.357 1.481 -1.352 1.00 0.00 C ATOM 0 H VAL A 32 6.308 3.926 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 32 5.668 3.276 0.805 1.00 0.00 H new ATOM 0 HB VAL A 32 7.456 1.798 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.842 -0.181 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.674 1.052 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.909 0.862 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.463 0.468 -1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.460 1.541 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.274 2.181 -2.183 1.00 0.00 H new ATOM 474 N GLN A 33 7.804 3.744 2.026 1.00 0.00 N ATOM 475 CA GLN A 33 9.007 4.116 2.765 1.00 0.00 C ATOM 476 C GLN A 33 9.898 2.901 3.026 1.00 0.00 C ATOM 477 O GLN A 33 10.994 2.801 2.474 1.00 0.00 O ATOM 478 CB GLN A 33 8.621 4.790 4.086 1.00 0.00 C ATOM 479 CG GLN A 33 9.786 5.449 4.810 1.00 0.00 C ATOM 480 CD GLN A 33 9.447 5.815 6.244 1.00 0.00 C ATOM 481 OE1 GLN A 33 10.135 5.407 7.179 1.00 0.00 O ATOM 482 NE2 GLN A 33 8.380 6.588 6.426 1.00 0.00 N ATOM 0 H GLN A 33 6.990 3.561 2.614 1.00 0.00 H new ATOM 0 HA GLN A 33 9.576 4.819 2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.857 5.542 3.888 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.172 4.046 4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.642 4.774 4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.084 6.348 4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.837 6.905 5.623 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.105 6.864 7.369 1.00 0.00 H new ATOM 491 N SER A 34 9.427 1.981 3.871 1.00 0.00 N ATOM 492 CA SER A 34 10.194 0.780 4.199 1.00 0.00 C ATOM 493 C SER A 34 9.441 -0.486 3.796 1.00 0.00 C ATOM 494 O SER A 34 8.209 -0.518 3.802 1.00 0.00 O ATOM 495 CB SER A 34 10.512 0.741 5.696 1.00 0.00 C ATOM 496 OG SER A 34 11.555 -0.180 5.969 1.00 0.00 O ATOM 0 H SER A 34 8.522 2.045 4.338 1.00 0.00 H new ATOM 0 HA SER A 34 11.126 0.818 3.635 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.801 1.735 6.036 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.619 0.461 6.254 1.00 0.00 H new ATOM 0 HG SER A 34 11.742 -0.187 6.931 1.00 0.00 H new ATOM 502 N VAL A 35 10.194 -1.530 3.449 1.00 0.00 N ATOM 503 CA VAL A 35 9.609 -2.806 3.042 1.00 0.00 C ATOM 504 C VAL A 35 10.359 -3.974 3.681 1.00 0.00 C ATOM 505 O VAL A 35 11.591 -4.000 3.692 1.00 0.00 O ATOM 506 CB VAL A 35 9.623 -2.969 1.503 1.00 0.00 C ATOM 507 CG1 VAL A 35 8.844 -4.206 1.079 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.058 -1.730 0.823 1.00 0.00 C ATOM 0 H VAL A 35 11.214 -1.516 3.442 1.00 0.00 H new ATOM 0 HA VAL A 35 8.574 -2.810 3.384 1.00 0.00 H new ATOM 0 HB VAL A 35 10.660 -3.093 1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.869 -4.297 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.294 -5.091 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.810 -4.116 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.078 -1.867 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.030 -1.572 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.661 -0.862 1.090 1.00 0.00 H new ATOM 518 N LYS A 36 9.607 -4.939 4.214 1.00 0.00 N ATOM 519 CA LYS A 36 10.201 -6.112 4.856 1.00 0.00 C ATOM 520 C LYS A 36 10.888 -7.005 3.828 1.00 0.00 C ATOM 521 O LYS A 36 10.224 -7.737 3.092 1.00 0.00 O ATOM 522 CB LYS A 36 9.138 -6.918 5.611 1.00 0.00 C ATOM 523 CG LYS A 36 9.319 -6.911 7.122 1.00 0.00 C ATOM 524 CD LYS A 36 9.124 -8.301 7.714 1.00 0.00 C ATOM 525 CE LYS A 36 7.772 -8.435 8.403 1.00 0.00 C ATOM 526 NZ LYS A 36 7.825 -8.013 9.833 1.00 0.00 N ATOM 0 H LYS A 36 8.587 -4.931 4.214 1.00 0.00 H new ATOM 0 HA LYS A 36 10.946 -5.757 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.153 -6.517 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.158 -7.949 5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.316 -6.546 7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.606 -6.220 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.206 -9.048 6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.920 -8.506 8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.035 -7.830 7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.437 -9.470 8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.884 -8.121 10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.509 -8.606 10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.120 -7.017 9.890 1.00 0.00 H new ATOM 540 N GLU A 37 12.221 -6.938 3.784 1.00 0.00 N ATOM 541 CA GLU A 37 13.006 -7.742 2.844 1.00 0.00 C ATOM 542 C GLU A 37 12.657 -9.230 2.954 1.00 0.00 C ATOM 543 O GLU A 37 12.681 -9.953 1.957 1.00 0.00 O ATOM 544 CB GLU A 37 14.513 -7.538 3.068 1.00 0.00 C ATOM 545 CG GLU A 37 14.960 -7.700 4.516 1.00 0.00 C ATOM 546 CD GLU A 37 16.272 -8.455 4.649 1.00 0.00 C ATOM 547 OE1 GLU A 37 17.234 -8.116 3.924 1.00 0.00 O ATOM 548 OE2 GLU A 37 16.339 -9.384 5.481 1.00 0.00 O ATOM 0 H GLU A 37 12.779 -6.335 4.388 1.00 0.00 H new ATOM 0 HA GLU A 37 12.753 -7.403 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.060 -8.250 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.788 -6.541 2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.066 -6.715 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.185 -8.227 5.073 1.00 0.00 H new ATOM 555 N ASP A 38 12.328 -9.678 4.171 1.00 0.00 N ATOM 556 CA ASP A 38 11.972 -11.078 4.412 1.00 0.00 C ATOM 557 C ASP A 38 10.468 -11.237 4.668 1.00 0.00 C ATOM 558 O ASP A 38 10.048 -12.127 5.412 1.00 0.00 O ATOM 559 CB ASP A 38 12.771 -11.638 5.604 1.00 0.00 C ATOM 560 CG ASP A 38 12.740 -10.744 6.838 1.00 0.00 C ATOM 561 OD1 ASP A 38 11.738 -10.023 7.041 1.00 0.00 O ATOM 562 OD2 ASP A 38 13.723 -10.771 7.607 1.00 0.00 O ATOM 0 H ASP A 38 12.301 -9.090 5.004 1.00 0.00 H new ATOM 0 HA ASP A 38 12.225 -11.643 3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.374 -12.619 5.867 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.807 -11.785 5.299 1.00 0.00 H new ATOM 567 N GLY A 39 9.659 -10.377 4.044 1.00 0.00 N ATOM 568 CA GLY A 39 8.220 -10.448 4.223 1.00 0.00 C ATOM 569 C GLY A 39 7.462 -10.417 2.911 1.00 0.00 C ATOM 570 O GLY A 39 8.047 -10.166 1.850 1.00 0.00 O ATOM 0 H GLY A 39 9.977 -9.635 3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.970 -11.363 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.894 -9.614 4.845 1.00 0.00 H new ATOM 574 N ALA A 40 6.154 -10.670 2.988 1.00 0.00 N ATOM 575 CA ALA A 40 5.285 -10.674 1.810 1.00 0.00 C ATOM 576 C ALA A 40 5.427 -9.390 0.990 1.00 0.00 C ATOM 577 O ALA A 40 5.286 -9.415 -0.232 1.00 0.00 O ATOM 578 CB ALA A 40 3.832 -10.874 2.224 1.00 0.00 C ATOM 0 H ALA A 40 5.670 -10.876 3.862 1.00 0.00 H new ATOM 0 HA ALA A 40 5.597 -11.505 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.198 -10.875 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.730 -11.826 2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.528 -10.064 2.887 1.00 0.00 H new ATOM 584 N ALA A 41 5.700 -8.271 1.666 1.00 0.00 N ATOM 585 CA ALA A 41 5.856 -6.983 0.990 1.00 0.00 C ATOM 586 C ALA A 41 6.968 -7.039 -0.057 1.00 0.00 C ATOM 587 O ALA A 41 6.713 -6.892 -1.254 1.00 0.00 O ATOM 588 CB ALA A 41 6.133 -5.883 2.007 1.00 0.00 C ATOM 0 H ALA A 41 5.817 -8.232 2.679 1.00 0.00 H new ATOM 0 HA ALA A 41 4.923 -6.756 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.247 -4.930 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.301 -5.818 2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.049 -6.113 2.551 1.00 0.00 H new ATOM 594 N MET A 42 8.201 -7.263 0.396 1.00 0.00 N ATOM 595 CA MET A 42 9.344 -7.347 -0.510 1.00 0.00 C ATOM 596 C MET A 42 9.260 -8.608 -1.366 1.00 0.00 C ATOM 597 O MET A 42 9.608 -8.588 -2.548 1.00 0.00 O ATOM 598 CB MET A 42 10.654 -7.327 0.277 1.00 0.00 C ATOM 599 CG MET A 42 11.862 -6.933 -0.555 1.00 0.00 C ATOM 600 SD MET A 42 12.716 -8.358 -1.256 1.00 0.00 S ATOM 601 CE MET A 42 14.427 -7.880 -1.030 1.00 0.00 C ATOM 0 H MET A 42 8.433 -7.389 1.381 1.00 0.00 H new ATOM 0 HA MET A 42 9.321 -6.479 -1.169 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.556 -6.631 1.110 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.825 -8.315 0.705 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.543 -6.272 -1.361 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.557 -6.367 0.065 1.00 0.00 H new ATOM 0 HE1 MET A 42 15.078 -8.664 -1.417 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.619 -6.951 -1.567 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.627 -7.733 0.031 1.00 0.00 H new ATOM 611 N ARG A 43 8.787 -9.703 -0.763 1.00 0.00 N ATOM 612 CA ARG A 43 8.650 -10.972 -1.477 1.00 0.00 C ATOM 613 C ARG A 43 7.679 -10.841 -2.654 1.00 0.00 C ATOM 614 O ARG A 43 7.859 -11.487 -3.686 1.00 0.00 O ATOM 615 CB ARG A 43 8.176 -12.076 -0.528 1.00 0.00 C ATOM 616 CG ARG A 43 8.495 -13.478 -1.024 1.00 0.00 C ATOM 617 CD ARG A 43 7.304 -14.107 -1.733 1.00 0.00 C ATOM 618 NE ARG A 43 7.180 -15.533 -1.436 1.00 0.00 N ATOM 619 CZ ARG A 43 6.689 -16.021 -0.292 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.293 -15.201 0.679 1.00 0.00 N ATOM 621 NH2 ARG A 43 6.601 -17.336 -0.117 1.00 0.00 N ATOM 0 H ARG A 43 8.494 -9.735 0.214 1.00 0.00 H new ATOM 0 HA ARG A 43 9.631 -11.240 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.639 -11.930 0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.099 -11.985 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.345 -13.439 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.790 -14.104 -0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.391 -13.593 -1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.408 -13.969 -2.809 1.00 0.00 H new ATOM 0 HE ARG A 43 7.487 -16.198 -2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.363 -14.191 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.920 -15.583 1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.908 -17.970 -0.855 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.227 -17.711 0.755 1.00 0.00 H new ATOM 635 N ALA A 44 6.649 -10.004 -2.496 1.00 0.00 N ATOM 636 CA ALA A 44 5.658 -9.797 -3.553 1.00 0.00 C ATOM 637 C ALA A 44 6.206 -8.924 -4.688 1.00 0.00 C ATOM 638 O ALA A 44 5.613 -8.859 -5.767 1.00 0.00 O ATOM 639 CB ALA A 44 4.388 -9.179 -2.979 1.00 0.00 C ATOM 0 H ALA A 44 6.481 -9.461 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 44 5.422 -10.774 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.662 -9.032 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.968 -9.845 -2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.625 -8.218 -2.523 1.00 0.00 H new ATOM 645 N GLY A 45 7.339 -8.259 -4.445 1.00 0.00 N ATOM 646 CA GLY A 45 7.940 -7.408 -5.461 1.00 0.00 C ATOM 647 C GLY A 45 7.941 -5.933 -5.085 1.00 0.00 C ATOM 648 O GLY A 45 8.086 -5.072 -5.956 1.00 0.00 O ATOM 0 H GLY A 45 7.849 -8.296 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.966 -7.732 -5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.400 -7.537 -6.399 1.00 0.00 H new ATOM 652 N VAL A 46 7.791 -5.634 -3.792 1.00 0.00 N ATOM 653 CA VAL A 46 7.789 -4.252 -3.320 1.00 0.00 C ATOM 654 C VAL A 46 9.183 -3.843 -2.854 1.00 0.00 C ATOM 655 O VAL A 46 9.882 -4.624 -2.206 1.00 0.00 O ATOM 656 CB VAL A 46 6.782 -4.037 -2.169 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.672 -2.559 -1.818 1.00 0.00 C ATOM 658 CG2 VAL A 46 5.416 -4.603 -2.533 1.00 0.00 C ATOM 0 H VAL A 46 7.670 -6.331 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 46 7.485 -3.629 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 46 7.151 -4.571 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.957 -2.430 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.647 -2.185 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.332 -2.002 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.723 -4.440 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.041 -4.103 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.505 -5.672 -2.727 1.00 0.00 H new ATOM 668 N GLN A 47 9.585 -2.620 -3.193 1.00 0.00 N ATOM 669 CA GLN A 47 10.902 -2.113 -2.815 1.00 0.00 C ATOM 670 C GLN A 47 10.790 -0.791 -2.060 1.00 0.00 C ATOM 671 O GLN A 47 9.837 -0.032 -2.255 1.00 0.00 O ATOM 672 CB GLN A 47 11.776 -1.928 -4.060 1.00 0.00 C ATOM 673 CG GLN A 47 11.949 -3.196 -4.886 1.00 0.00 C ATOM 674 CD GLN A 47 13.406 -3.544 -5.149 1.00 0.00 C ATOM 675 OE1 GLN A 47 14.293 -2.696 -5.035 1.00 0.00 O ATOM 676 NE2 GLN A 47 13.661 -4.798 -5.506 1.00 0.00 N ATOM 0 H GLN A 47 9.018 -1.962 -3.728 1.00 0.00 H new ATOM 0 HA GLN A 47 11.365 -2.846 -2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.337 -1.154 -4.689 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.758 -1.569 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.471 -4.028 -4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.433 -3.075 -5.839 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.898 -5.470 -5.589 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.620 -5.089 -5.697 1.00 0.00 H new ATOM 685 N THR A 48 11.776 -0.517 -1.202 1.00 0.00 N ATOM 686 CA THR A 48 11.793 0.723 -0.422 1.00 0.00 C ATOM 687 C THR A 48 11.921 1.936 -1.341 1.00 0.00 C ATOM 688 O THR A 48 12.689 1.920 -2.306 1.00 0.00 O ATOM 689 CB THR A 48 12.937 0.716 0.609 1.00 0.00 C ATOM 690 OG1 THR A 48 13.110 2.002 1.181 1.00 0.00 O ATOM 691 CG2 THR A 48 14.275 0.294 0.036 1.00 0.00 C ATOM 0 H THR A 48 12.570 -1.134 -1.030 1.00 0.00 H new ATOM 0 HA THR A 48 10.848 0.789 0.117 1.00 0.00 H new ATOM 0 HB THR A 48 12.633 -0.018 1.356 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.434 2.144 1.877 1.00 0.00 H new ATOM 0 HG21 THR A 48 15.030 0.314 0.822 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.196 -0.716 -0.366 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.562 0.980 -0.761 1.00 0.00 H new ATOM 699 N GLY A 49 11.157 2.981 -1.034 1.00 0.00 N ATOM 700 CA GLY A 49 11.184 4.192 -1.836 1.00 0.00 C ATOM 701 C GLY A 49 10.377 4.070 -3.121 1.00 0.00 C ATOM 702 O GLY A 49 10.690 4.725 -4.117 1.00 0.00 O ATOM 0 H GLY A 49 10.517 3.010 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.794 5.021 -1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.217 4.435 -2.084 1.00 0.00 H new ATOM 706 N ASP A 50 9.335 3.236 -3.099 1.00 0.00 N ATOM 707 CA ASP A 50 8.481 3.037 -4.269 1.00 0.00 C ATOM 708 C ASP A 50 7.444 4.153 -4.382 1.00 0.00 C ATOM 709 O ASP A 50 7.327 4.989 -3.486 1.00 0.00 O ATOM 710 CB ASP A 50 7.776 1.680 -4.191 1.00 0.00 C ATOM 711 CG ASP A 50 7.934 0.868 -5.460 1.00 0.00 C ATOM 712 OD1 ASP A 50 7.356 1.263 -6.494 1.00 0.00 O ATOM 713 OD2 ASP A 50 8.636 -0.165 -5.420 1.00 0.00 O ATOM 0 H ASP A 50 9.063 2.688 -2.283 1.00 0.00 H new ATOM 0 HA ASP A 50 9.114 3.059 -5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.177 1.114 -3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.715 1.836 -3.994 1.00 0.00 H new ATOM 718 N ARG A 51 6.691 4.161 -5.483 1.00 0.00 N ATOM 719 CA ARG A 51 5.662 5.179 -5.702 1.00 0.00 C ATOM 720 C ARG A 51 4.305 4.534 -6.002 1.00 0.00 C ATOM 721 O ARG A 51 3.901 4.425 -7.161 1.00 0.00 O ATOM 722 CB ARG A 51 6.068 6.113 -6.849 1.00 0.00 C ATOM 723 CG ARG A 51 7.494 6.636 -6.743 1.00 0.00 C ATOM 724 CD ARG A 51 7.533 8.082 -6.273 1.00 0.00 C ATOM 725 NE ARG A 51 7.793 9.010 -7.375 1.00 0.00 N ATOM 726 CZ ARG A 51 8.956 9.090 -8.030 1.00 0.00 C ATOM 727 NH1 ARG A 51 9.976 8.302 -7.697 1.00 0.00 N ATOM 728 NH2 ARG A 51 9.097 9.961 -9.023 1.00 0.00 N ATOM 0 H ARG A 51 6.774 3.477 -6.235 1.00 0.00 H new ATOM 0 HA ARG A 51 5.568 5.764 -4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.955 5.582 -7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.382 6.960 -6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.059 6.013 -6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.983 6.556 -7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.583 8.336 -5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.306 8.196 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 51 7.039 9.635 -7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.874 7.630 -6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.859 8.370 -8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.319 10.567 -9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.983 10.024 -9.524 1.00 0.00 H new ATOM 742 N ILE A 52 3.602 4.111 -4.950 1.00 0.00 N ATOM 743 CA ILE A 52 2.291 3.478 -5.104 1.00 0.00 C ATOM 744 C ILE A 52 1.229 4.494 -5.542 1.00 0.00 C ATOM 745 O ILE A 52 1.027 5.528 -4.900 1.00 0.00 O ATOM 746 CB ILE A 52 1.846 2.753 -3.806 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.432 2.163 -3.957 1.00 0.00 C ATOM 748 CG2 ILE A 52 1.931 3.679 -2.600 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.691 3.151 -3.702 1.00 0.00 C ATOM 0 H ILE A 52 3.918 4.195 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 52 2.391 2.728 -5.888 1.00 0.00 H new ATOM 0 HB ILE A 52 2.535 1.925 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.325 1.762 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.326 1.325 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.613 3.142 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.959 4.018 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.282 4.541 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.651 2.651 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.614 3.534 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.615 3.978 -4.408 1.00 0.00 H new ATOM 761 N ILE A 53 0.561 4.183 -6.651 1.00 0.00 N ATOM 762 CA ILE A 53 -0.478 5.048 -7.202 1.00 0.00 C ATOM 763 C ILE A 53 -1.877 4.490 -6.930 1.00 0.00 C ATOM 764 O ILE A 53 -2.818 5.253 -6.699 1.00 0.00 O ATOM 765 CB ILE A 53 -0.296 5.235 -8.727 1.00 0.00 C ATOM 766 CG1 ILE A 53 1.125 5.718 -9.043 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.328 6.213 -9.275 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.402 5.856 -10.526 1.00 0.00 C ATOM 0 H ILE A 53 0.723 3.331 -7.189 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.380 6.013 -6.705 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.448 4.271 -9.212 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.288 6.681 -8.560 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.842 5.019 -8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.183 6.331 -10.349 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.330 5.829 -9.084 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.210 7.179 -8.785 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.425 6.201 -10.674 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.271 4.889 -11.012 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.709 6.577 -10.960 1.00 0.00 H new ATOM 780 N LYS A 54 -2.021 3.160 -6.966 1.00 0.00 N ATOM 781 CA LYS A 54 -3.321 2.531 -6.727 1.00 0.00 C ATOM 782 C LYS A 54 -3.199 1.315 -5.808 1.00 0.00 C ATOM 783 O LYS A 54 -2.153 0.664 -5.762 1.00 0.00 O ATOM 784 CB LYS A 54 -3.960 2.114 -8.053 1.00 0.00 C ATOM 785 CG LYS A 54 -4.390 3.281 -8.926 1.00 0.00 C ATOM 786 CD LYS A 54 -5.424 2.847 -9.952 1.00 0.00 C ATOM 787 CE LYS A 54 -5.176 3.491 -11.307 1.00 0.00 C ATOM 788 NZ LYS A 54 -5.389 2.531 -12.427 1.00 0.00 N ATOM 0 H LYS A 54 -1.261 2.506 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.955 3.267 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.251 1.500 -8.609 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.829 1.490 -7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.803 4.073 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.521 3.697 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.401 1.762 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.421 3.113 -9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.842 4.345 -11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.156 3.873 -11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.210 3.009 -13.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.736 1.728 -12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.370 2.185 -12.406 1.00 0.00 H new ATOM 802 N VAL A 55 -4.281 1.013 -5.084 1.00 0.00 N ATOM 803 CA VAL A 55 -4.304 -0.126 -4.168 1.00 0.00 C ATOM 804 C VAL A 55 -5.448 -1.081 -4.508 1.00 0.00 C ATOM 805 O VAL A 55 -6.624 -0.736 -4.383 1.00 0.00 O ATOM 806 CB VAL A 55 -4.427 0.326 -2.696 1.00 0.00 C ATOM 807 CG1 VAL A 55 -3.183 1.094 -2.275 1.00 0.00 C ATOM 808 CG2 VAL A 55 -5.679 1.166 -2.482 1.00 0.00 C ATOM 0 H VAL A 55 -5.152 1.543 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.355 -0.648 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.514 -0.564 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.283 1.407 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.307 0.453 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.066 1.973 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.739 1.470 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.635 2.052 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.560 0.578 -2.740 1.00 0.00 H new ATOM 818 N ASN A 56 -5.088 -2.283 -4.954 1.00 0.00 N ATOM 819 CA ASN A 56 -6.065 -3.302 -5.338 1.00 0.00 C ATOM 820 C ASN A 56 -6.992 -2.786 -6.441 1.00 0.00 C ATOM 821 O ASN A 56 -8.190 -3.078 -6.451 1.00 0.00 O ATOM 822 CB ASN A 56 -6.874 -3.766 -4.120 1.00 0.00 C ATOM 823 CG ASN A 56 -7.094 -5.267 -4.122 1.00 0.00 C ATOM 824 OD1 ASN A 56 -6.339 -6.016 -4.750 1.00 0.00 O ATOM 825 ND2 ASN A 56 -8.121 -5.724 -3.413 1.00 0.00 N ATOM 0 H ASN A 56 -4.117 -2.578 -5.059 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.519 -4.160 -5.732 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.353 -3.477 -3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.838 -3.258 -4.111 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.308 -6.726 -3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.722 -5.073 -2.908 1.00 0.00 H new ATOM 832 N GLY A 57 -6.423 -2.015 -7.374 1.00 0.00 N ATOM 833 CA GLY A 57 -7.201 -1.468 -8.472 1.00 0.00 C ATOM 834 C GLY A 57 -7.801 -0.106 -8.160 1.00 0.00 C ATOM 835 O GLY A 57 -7.892 0.748 -9.044 1.00 0.00 O ATOM 0 H GLY A 57 -5.435 -1.762 -7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.565 -1.385 -9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.003 -2.163 -8.722 1.00 0.00 H new ATOM 839 N THR A 58 -8.213 0.101 -6.904 1.00 0.00 N ATOM 840 CA THR A 58 -8.810 1.372 -6.492 1.00 0.00 C ATOM 841 C THR A 58 -7.803 2.514 -6.610 1.00 0.00 C ATOM 842 O THR A 58 -6.592 2.308 -6.503 1.00 0.00 O ATOM 843 CB THR A 58 -9.355 1.290 -5.057 1.00 0.00 C ATOM 844 OG1 THR A 58 -8.308 1.370 -4.104 1.00 0.00 O ATOM 845 CG2 THR A 58 -10.131 0.018 -4.780 1.00 0.00 C ATOM 0 H THR A 58 -8.144 -0.593 -6.160 1.00 0.00 H new ATOM 0 HA THR A 58 -9.644 1.576 -7.164 1.00 0.00 H new ATOM 0 HB THR A 58 -10.032 2.140 -4.965 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.624 0.700 -4.312 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.487 0.026 -3.750 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.983 -0.043 -5.457 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.482 -0.845 -4.933 1.00 0.00 H new ATOM 853 N LEU A 59 -8.315 3.720 -6.834 1.00 0.00 N ATOM 854 CA LEU A 59 -7.471 4.899 -6.970 1.00 0.00 C ATOM 855 C LEU A 59 -7.333 5.624 -5.635 1.00 0.00 C ATOM 856 O LEU A 59 -8.332 5.928 -4.979 1.00 0.00 O ATOM 857 CB LEU A 59 -8.052 5.847 -8.024 1.00 0.00 C ATOM 858 CG LEU A 59 -7.623 5.559 -9.464 1.00 0.00 C ATOM 859 CD1 LEU A 59 -8.511 4.490 -10.087 1.00 0.00 C ATOM 860 CD2 LEU A 59 -7.658 6.834 -10.292 1.00 0.00 C ATOM 0 H LEU A 59 -9.314 3.905 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.481 4.575 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.140 5.803 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.762 6.867 -7.772 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.600 5.184 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.189 4.301 -11.111 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.435 3.570 -9.507 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.546 4.833 -10.090 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.350 6.613 -11.314 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.671 7.237 -10.297 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.978 7.568 -9.859 1.00 0.00 H new ATOM 872 N VAL A 60 -6.093 5.910 -5.242 1.00 0.00 N ATOM 873 CA VAL A 60 -5.831 6.611 -3.988 1.00 0.00 C ATOM 874 C VAL A 60 -5.726 8.127 -4.215 1.00 0.00 C ATOM 875 O VAL A 60 -5.045 8.838 -3.471 1.00 0.00 O ATOM 876 CB VAL A 60 -4.549 6.074 -3.306 1.00 0.00 C ATOM 877 CG1 VAL A 60 -3.301 6.492 -4.071 1.00 0.00 C ATOM 878 CG2 VAL A 60 -4.480 6.529 -1.854 1.00 0.00 C ATOM 0 H VAL A 60 -5.256 5.668 -5.773 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.674 6.423 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.593 4.985 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.417 6.100 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.346 6.096 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.245 7.580 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.572 6.141 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.470 7.618 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.349 6.154 -1.314 1.00 0.00 H new ATOM 888 N THR A 61 -6.422 8.617 -5.245 1.00 0.00 N ATOM 889 CA THR A 61 -6.430 10.040 -5.574 1.00 0.00 C ATOM 890 C THR A 61 -7.565 10.761 -4.838 1.00 0.00 C ATOM 891 O THR A 61 -7.415 11.914 -4.429 1.00 0.00 O ATOM 892 CB THR A 61 -6.572 10.226 -7.090 1.00 0.00 C ATOM 893 OG1 THR A 61 -5.556 9.516 -7.780 1.00 0.00 O ATOM 894 CG2 THR A 61 -6.506 11.673 -7.541 1.00 0.00 C ATOM 0 H THR A 61 -6.990 8.042 -5.867 1.00 0.00 H new ATOM 0 HA THR A 61 -5.485 10.477 -5.251 1.00 0.00 H new ATOM 0 HB THR A 61 -7.563 9.840 -7.328 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.664 9.645 -8.745 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.614 11.722 -8.625 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.311 12.238 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.546 12.101 -7.253 1.00 0.00 H new ATOM 902 N HIS A 62 -8.698 10.070 -4.674 1.00 0.00 N ATOM 903 CA HIS A 62 -9.861 10.633 -3.988 1.00 0.00 C ATOM 904 C HIS A 62 -10.368 9.678 -2.897 1.00 0.00 C ATOM 905 O HIS A 62 -11.577 9.552 -2.683 1.00 0.00 O ATOM 906 CB HIS A 62 -10.975 10.923 -5.005 1.00 0.00 C ATOM 907 CG HIS A 62 -11.981 11.935 -4.540 1.00 0.00 C ATOM 908 ND1 HIS A 62 -13.325 11.853 -4.840 1.00 0.00 N ATOM 909 CD2 HIS A 62 -11.834 13.056 -3.794 1.00 0.00 C ATOM 910 CE1 HIS A 62 -13.960 12.878 -4.300 1.00 0.00 C ATOM 911 NE2 HIS A 62 -13.078 13.624 -3.660 1.00 0.00 N ATOM 0 H HIS A 62 -8.832 9.116 -5.009 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.564 11.566 -3.508 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -10.523 11.275 -5.932 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.492 9.992 -5.236 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -10.910 13.433 -3.381 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -15.020 13.073 -4.370 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -13.286 14.482 -3.149 1.00 0.00 H new ATOM 920 N SER A 63 -9.436 9.006 -2.211 1.00 0.00 N ATOM 921 CA SER A 63 -9.789 8.062 -1.147 1.00 0.00 C ATOM 922 C SER A 63 -9.294 8.548 0.216 1.00 0.00 C ATOM 923 O SER A 63 -8.379 9.370 0.298 1.00 0.00 O ATOM 924 CB SER A 63 -9.206 6.679 -1.453 1.00 0.00 C ATOM 925 OG SER A 63 -10.096 5.913 -2.248 1.00 0.00 O ATOM 0 H SER A 63 -8.433 9.099 -2.374 1.00 0.00 H new ATOM 0 HA SER A 63 -10.876 7.994 -1.107 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.254 6.789 -1.972 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.002 6.153 -0.521 1.00 0.00 H new ATOM 0 HG SER A 63 -9.722 5.806 -3.148 1.00 0.00 H new ATOM 931 N ASN A 64 -9.908 8.032 1.283 1.00 0.00 N ATOM 932 CA ASN A 64 -9.539 8.409 2.649 1.00 0.00 C ATOM 933 C ASN A 64 -8.425 7.509 3.191 1.00 0.00 C ATOM 934 O ASN A 64 -8.052 6.521 2.559 1.00 0.00 O ATOM 935 CB ASN A 64 -10.764 8.335 3.570 1.00 0.00 C ATOM 936 CG ASN A 64 -11.809 9.391 3.246 1.00 0.00 C ATOM 937 OD1 ASN A 64 -12.115 9.642 2.080 1.00 0.00 O ATOM 938 ND2 ASN A 64 -12.368 10.016 4.279 1.00 0.00 N ATOM 0 H ASN A 64 -10.665 7.350 1.227 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.169 9.434 2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.215 7.346 3.488 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.443 8.454 4.605 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.077 10.731 4.119 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.087 9.780 5.231 1.00 0.00 H new ATOM 945 N HIS A 65 -7.901 7.859 4.368 1.00 0.00 N ATOM 946 CA HIS A 65 -6.830 7.082 4.997 1.00 0.00 C ATOM 947 C HIS A 65 -7.360 5.756 5.542 1.00 0.00 C ATOM 948 O HIS A 65 -6.992 4.685 5.053 1.00 0.00 O ATOM 949 CB HIS A 65 -6.168 7.895 6.121 1.00 0.00 C ATOM 950 CG HIS A 65 -5.149 7.123 6.904 1.00 0.00 C ATOM 951 ND1 HIS A 65 -5.483 6.204 7.879 1.00 0.00 N ATOM 952 CD2 HIS A 65 -3.798 7.134 6.850 1.00 0.00 C ATOM 953 CE1 HIS A 65 -4.384 5.685 8.388 1.00 0.00 C ATOM 954 NE2 HIS A 65 -3.348 6.232 7.781 1.00 0.00 N ATOM 0 H HIS A 65 -8.200 8.674 4.904 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.082 6.860 4.236 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.691 8.774 5.689 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.940 8.254 6.801 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.187 7.739 6.196 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.339 4.940 9.168 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.369 6.019 7.973 1.00 0.00 H new ATOM 963 N LEU A 66 -8.223 5.832 6.560 1.00 0.00 N ATOM 964 CA LEU A 66 -8.801 4.635 7.175 1.00 0.00 C ATOM 965 C LEU A 66 -9.524 3.766 6.141 1.00 0.00 C ATOM 966 O LEU A 66 -9.583 2.546 6.289 1.00 0.00 O ATOM 967 CB LEU A 66 -9.770 5.017 8.302 1.00 0.00 C ATOM 968 CG LEU A 66 -9.289 4.677 9.719 1.00 0.00 C ATOM 969 CD1 LEU A 66 -8.992 5.947 10.507 1.00 0.00 C ATOM 970 CD2 LEU A 66 -10.323 3.824 10.446 1.00 0.00 C ATOM 0 H LEU A 66 -8.536 6.710 6.975 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.978 4.056 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.961 6.089 8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.721 4.514 8.128 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.366 4.103 9.637 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.653 5.683 11.509 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.214 6.517 9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.897 6.551 10.578 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.964 3.593 11.449 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.263 4.371 10.514 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.482 2.897 9.895 1.00 0.00 H new ATOM 982 N GLU A 67 -10.070 4.394 5.097 1.00 0.00 N ATOM 983 CA GLU A 67 -10.779 3.657 4.051 1.00 0.00 C ATOM 984 C GLU A 67 -9.842 2.698 3.318 1.00 0.00 C ATOM 985 O GLU A 67 -10.181 1.533 3.107 1.00 0.00 O ATOM 986 CB GLU A 67 -11.422 4.624 3.052 1.00 0.00 C ATOM 987 CG GLU A 67 -12.776 5.151 3.499 1.00 0.00 C ATOM 988 CD GLU A 67 -13.763 5.277 2.354 1.00 0.00 C ATOM 989 OE1 GLU A 67 -13.602 6.203 1.530 1.00 0.00 O ATOM 990 OE2 GLU A 67 -14.698 4.452 2.284 1.00 0.00 O ATOM 0 H GLU A 67 -10.035 5.403 4.955 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.562 3.071 4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.749 5.466 2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.537 4.119 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.188 4.485 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.645 6.126 3.969 1.00 0.00 H new ATOM 997 N VAL A 68 -8.667 3.193 2.929 1.00 0.00 N ATOM 998 CA VAL A 68 -7.690 2.372 2.215 1.00 0.00 C ATOM 999 C VAL A 68 -7.211 1.203 3.075 1.00 0.00 C ATOM 1000 O VAL A 68 -7.254 0.051 2.642 1.00 0.00 O ATOM 1001 CB VAL A 68 -6.466 3.199 1.758 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -5.504 2.335 0.957 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -6.904 4.411 0.946 1.00 0.00 C ATOM 0 H VAL A 68 -8.370 4.154 3.096 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.200 1.985 1.333 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.946 3.556 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.650 2.935 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.159 1.506 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.013 1.943 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.026 4.978 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.452 4.079 0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.547 5.045 1.556 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.752 1.503 4.291 1.00 0.00 N ATOM 1014 CA VAL A 69 -6.263 0.464 5.197 1.00 0.00 C ATOM 1015 C VAL A 69 -7.352 -0.573 5.497 1.00 0.00 C ATOM 1016 O VAL A 69 -7.081 -1.775 5.502 1.00 0.00 O ATOM 1017 CB VAL A 69 -5.719 1.062 6.518 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -6.809 1.795 7.285 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -5.083 -0.021 7.380 1.00 0.00 C ATOM 0 H VAL A 69 -6.709 2.450 4.669 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.439 -0.035 4.687 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.949 1.790 6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.394 2.203 8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.201 2.607 6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.614 1.101 7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.708 0.422 8.303 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.828 -0.780 7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.258 -0.481 6.836 1.00 0.00 H new ATOM 1029 N LYS A 70 -8.583 -0.106 5.731 1.00 0.00 N ATOM 1030 CA LYS A 70 -9.704 -1.003 6.018 1.00 0.00 C ATOM 1031 C LYS A 70 -9.972 -1.942 4.840 1.00 0.00 C ATOM 1032 O LYS A 70 -10.253 -3.125 5.035 1.00 0.00 O ATOM 1033 CB LYS A 70 -10.969 -0.198 6.341 1.00 0.00 C ATOM 1034 CG LYS A 70 -12.031 -0.995 7.085 1.00 0.00 C ATOM 1035 CD LYS A 70 -13.416 -0.767 6.495 1.00 0.00 C ATOM 1036 CE LYS A 70 -14.370 -1.902 6.842 1.00 0.00 C ATOM 1037 NZ LYS A 70 -15.606 -1.409 7.514 1.00 0.00 N ATOM 0 H LYS A 70 -8.826 0.885 5.727 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.435 -1.605 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.693 0.670 6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.396 0.179 5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.787 -2.056 7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.031 -0.710 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.820 0.174 6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.339 -0.674 5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.641 -2.438 5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.864 -2.615 7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.227 -2.214 7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.350 -0.920 8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.104 -0.749 6.884 1.00 0.00 H new ATOM 1051 N LEU A 71 -9.879 -1.409 3.621 1.00 0.00 N ATOM 1052 CA LEU A 71 -10.106 -2.201 2.414 1.00 0.00 C ATOM 1053 C LEU A 71 -9.005 -3.245 2.232 1.00 0.00 C ATOM 1054 O LEU A 71 -9.290 -4.417 1.986 1.00 0.00 O ATOM 1055 CB LEU A 71 -10.182 -1.291 1.183 1.00 0.00 C ATOM 1056 CG LEU A 71 -10.941 -1.871 -0.016 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.429 -1.981 0.290 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -10.712 -1.016 -1.256 1.00 0.00 C ATOM 0 H LEU A 71 -9.648 -0.431 3.445 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.057 -2.722 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.657 -0.354 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.167 -1.050 0.867 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.558 -2.873 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.949 -2.395 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.576 -2.635 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.828 -0.992 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.258 -1.442 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.066 -0.002 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.648 -0.991 -1.489 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.748 -2.814 2.362 1.00 0.00 N ATOM 1071 CA ILE A 72 -6.609 -3.721 2.218 1.00 0.00 C ATOM 1072 C ILE A 72 -6.599 -4.765 3.334 1.00 0.00 C ATOM 1073 O ILE A 72 -6.317 -5.939 3.090 1.00 0.00 O ATOM 1074 CB ILE A 72 -5.260 -2.961 2.214 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -5.242 -1.898 1.110 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -4.098 -3.931 2.039 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -5.316 -2.469 -0.292 1.00 0.00 C ATOM 0 H ILE A 72 -7.495 -1.847 2.566 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.725 -4.219 1.255 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.148 -2.460 3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.081 -1.218 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.331 -1.306 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.159 -3.378 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.096 -4.648 2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.206 -4.462 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.298 -1.656 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.463 -3.126 -0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.240 -3.036 -0.405 1.00 0.00 H new ATOM 1089 N LYS A 73 -6.920 -4.334 4.556 1.00 0.00 N ATOM 1090 CA LYS A 73 -6.960 -5.240 5.703 1.00 0.00 C ATOM 1091 C LYS A 73 -8.095 -6.257 5.557 1.00 0.00 C ATOM 1092 O LYS A 73 -7.977 -7.393 6.017 1.00 0.00 O ATOM 1093 CB LYS A 73 -7.124 -4.456 7.008 1.00 0.00 C ATOM 1094 CG LYS A 73 -6.370 -5.063 8.182 1.00 0.00 C ATOM 1095 CD LYS A 73 -6.296 -4.105 9.363 1.00 0.00 C ATOM 1096 CE LYS A 73 -5.271 -3.003 9.129 1.00 0.00 C ATOM 1097 NZ LYS A 73 -4.552 -2.626 10.380 1.00 0.00 N ATOM 0 H LYS A 73 -7.155 -3.366 4.775 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.013 -5.779 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.778 -3.434 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.184 -4.400 7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.862 -5.985 8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.361 -5.330 7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.276 -3.660 9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.036 -4.659 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.549 -3.334 8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.771 -2.125 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.865 -1.873 10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.237 -2.285 11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.052 -3.456 10.757 1.00 0.00 H new ATOM 1111 N SER A 74 -9.190 -5.842 4.911 1.00 0.00 N ATOM 1112 CA SER A 74 -10.340 -6.720 4.701 1.00 0.00 C ATOM 1113 C SER A 74 -10.108 -7.642 3.500 1.00 0.00 C ATOM 1114 O SER A 74 -10.793 -7.538 2.480 1.00 0.00 O ATOM 1115 CB SER A 74 -11.613 -5.891 4.491 1.00 0.00 C ATOM 1116 OG SER A 74 -12.210 -5.542 5.729 1.00 0.00 O ATOM 0 H SER A 74 -9.301 -4.904 4.526 1.00 0.00 H new ATOM 0 HA SER A 74 -10.464 -7.337 5.591 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.372 -4.986 3.933 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.323 -6.458 3.889 1.00 0.00 H new ATOM 0 HG SER A 74 -13.018 -5.013 5.565 1.00 0.00 H new ATOM 1122 N GLY A 75 -9.132 -8.542 3.630 1.00 0.00 N ATOM 1123 CA GLY A 75 -8.820 -9.470 2.554 1.00 0.00 C ATOM 1124 C GLY A 75 -7.483 -10.163 2.752 1.00 0.00 C ATOM 1125 O GLY A 75 -6.739 -9.834 3.679 1.00 0.00 O ATOM 0 H GLY A 75 -8.552 -8.644 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.608 -10.220 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.810 -8.932 1.606 1.00 0.00 H new ATOM 1129 N SER A 76 -7.177 -11.124 1.881 1.00 0.00 N ATOM 1130 CA SER A 76 -5.920 -11.865 1.967 1.00 0.00 C ATOM 1131 C SER A 76 -4.805 -11.146 1.210 1.00 0.00 C ATOM 1132 O SER A 76 -3.866 -10.632 1.820 1.00 0.00 O ATOM 1133 CB SER A 76 -6.100 -13.286 1.423 1.00 0.00 C ATOM 1134 OG SER A 76 -6.870 -14.076 2.313 1.00 0.00 O ATOM 0 H SER A 76 -7.781 -11.407 1.109 1.00 0.00 H new ATOM 0 HA SER A 76 -5.634 -11.923 3.017 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.589 -13.247 0.449 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.124 -13.748 1.272 1.00 0.00 H new ATOM 0 HG SER A 76 -6.973 -14.978 1.944 1.00 0.00 H new ATOM 1140 N TYR A 77 -4.913 -11.107 -0.118 1.00 0.00 N ATOM 1141 CA TYR A 77 -3.911 -10.443 -0.949 1.00 0.00 C ATOM 1142 C TYR A 77 -4.546 -9.336 -1.788 1.00 0.00 C ATOM 1143 O TYR A 77 -5.759 -9.331 -2.012 1.00 0.00 O ATOM 1144 CB TYR A 77 -3.201 -11.453 -1.857 1.00 0.00 C ATOM 1145 CG TYR A 77 -4.133 -12.218 -2.769 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -4.820 -13.333 -2.310 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -4.327 -11.823 -4.086 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -5.674 -14.033 -3.135 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.180 -12.518 -4.919 1.00 0.00 C ATOM 1150 CZ TYR A 77 -5.853 -13.623 -4.440 1.00 0.00 C ATOM 1151 OH TYR A 77 -6.705 -14.317 -5.267 1.00 0.00 O ATOM 0 H TYR A 77 -5.683 -11.527 -0.640 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.172 -9.993 -0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.465 -10.926 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.653 -12.162 -1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.683 -13.658 -1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.802 -10.958 -4.464 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.201 -14.899 -2.761 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.320 -12.198 -5.941 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.717 -13.896 -6.152 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.719 -8.395 -2.244 1.00 0.00 N ATOM 1162 CA VAL A 78 -4.202 -7.275 -3.049 1.00 0.00 C ATOM 1163 C VAL A 78 -3.165 -6.834 -4.086 1.00 0.00 C ATOM 1164 O VAL A 78 -1.958 -6.930 -3.849 1.00 0.00 O ATOM 1165 CB VAL A 78 -4.564 -6.063 -2.162 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.840 -6.329 -1.375 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -3.416 -5.723 -1.223 1.00 0.00 C ATOM 0 H VAL A 78 -2.714 -8.387 -2.070 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.094 -7.628 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.739 -5.207 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.074 -5.462 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.662 -6.515 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.699 -7.201 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.691 -4.867 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.205 -6.579 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.528 -5.480 -1.807 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.645 -6.337 -5.230 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.753 -5.870 -6.293 1.00 0.00 C ATOM 1179 C ALA A 79 -2.617 -4.351 -6.254 1.00 0.00 C ATOM 1180 O ALA A 79 -3.563 -3.628 -6.557 1.00 0.00 O ATOM 1181 CB ALA A 79 -3.267 -6.317 -7.653 1.00 0.00 C ATOM 0 H ALA A 79 -4.639 -6.248 -5.442 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.769 -6.309 -6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.592 -5.961 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.315 -7.405 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.262 -5.905 -7.819 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.435 -3.874 -5.879 1.00 0.00 N ATOM 1188 CA LEU A 80 -1.181 -2.441 -5.787 1.00 0.00 C ATOM 1189 C LEU A 80 -0.402 -1.924 -6.992 1.00 0.00 C ATOM 1190 O LEU A 80 0.678 -2.426 -7.313 1.00 0.00 O ATOM 1191 CB LEU A 80 -0.411 -2.131 -4.500 1.00 0.00 C ATOM 1192 CG LEU A 80 -1.206 -2.309 -3.203 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -1.338 -3.785 -2.847 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -0.545 -1.540 -2.068 1.00 0.00 C ATOM 0 H LEU A 80 -0.637 -4.460 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.146 -1.934 -5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.469 -2.773 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.053 -1.103 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.208 -1.908 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.906 -3.887 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.856 -4.308 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.346 -4.217 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.121 -1.676 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.468 -1.913 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.508 -0.480 -2.320 1.00 0.00 H new ATOM 1206 N THR A 81 -0.952 -0.901 -7.644 1.00 0.00 N ATOM 1207 CA THR A 81 -0.307 -0.287 -8.800 1.00 0.00 C ATOM 1208 C THR A 81 0.679 0.776 -8.325 1.00 0.00 C ATOM 1209 O THR A 81 0.273 1.832 -7.830 1.00 0.00 O ATOM 1210 CB THR A 81 -1.348 0.338 -9.734 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.511 -0.469 -9.815 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.839 0.550 -11.146 1.00 0.00 C ATOM 0 H THR A 81 -1.845 -0.480 -7.389 1.00 0.00 H new ATOM 0 HA THR A 81 0.228 -1.057 -9.356 1.00 0.00 H new ATOM 0 HB THR A 81 -1.574 1.309 -9.294 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.252 -1.414 -9.846 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.627 0.995 -11.754 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.024 1.216 -11.126 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.548 -0.409 -11.575 1.00 0.00 H new ATOM 1220 N VAL A 82 1.972 0.474 -8.451 1.00 0.00 N ATOM 1221 CA VAL A 82 3.028 1.386 -8.009 1.00 0.00 C ATOM 1222 C VAL A 82 3.967 1.780 -9.154 1.00 0.00 C ATOM 1223 O VAL A 82 3.839 1.294 -10.276 1.00 0.00 O ATOM 1224 CB VAL A 82 3.855 0.758 -6.865 1.00 0.00 C ATOM 1225 CG1 VAL A 82 2.946 0.303 -5.732 1.00 0.00 C ATOM 1226 CG2 VAL A 82 4.696 -0.404 -7.376 1.00 0.00 C ATOM 0 H VAL A 82 2.314 -0.397 -8.857 1.00 0.00 H new ATOM 0 HA VAL A 82 2.531 2.287 -7.649 1.00 0.00 H new ATOM 0 HB VAL A 82 4.530 1.521 -6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.548 -0.136 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.396 1.159 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.242 -0.440 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.269 -0.829 -6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.043 -1.169 -7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.379 -0.047 -8.147 1.00 0.00 H new ATOM 1236 N GLN A 83 4.912 2.673 -8.853 1.00 0.00 N ATOM 1237 CA GLN A 83 5.880 3.142 -9.841 1.00 0.00 C ATOM 1238 C GLN A 83 7.271 3.264 -9.221 1.00 0.00 C ATOM 1239 O GLN A 83 7.420 3.746 -8.095 1.00 0.00 O ATOM 1240 CB GLN A 83 5.437 4.493 -10.412 1.00 0.00 C ATOM 1241 CG GLN A 83 6.438 5.110 -11.377 1.00 0.00 C ATOM 1242 CD GLN A 83 7.223 6.249 -10.752 1.00 0.00 C ATOM 1243 OE1 GLN A 83 6.665 7.299 -10.432 1.00 0.00 O ATOM 1244 NE2 GLN A 83 8.525 6.050 -10.573 1.00 0.00 N ATOM 0 H GLN A 83 5.026 3.086 -7.927 1.00 0.00 H new ATOM 0 HA GLN A 83 5.927 2.412 -10.649 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.484 4.365 -10.925 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.266 5.186 -9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.130 4.340 -11.718 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.910 5.477 -12.257 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.949 5.165 -10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.100 6.782 -10.157 1.00 0.00 H new ATOM 1253 N GLY A 84 8.287 2.826 -9.966 1.00 0.00 N ATOM 1254 CA GLY A 84 9.656 2.895 -9.481 1.00 0.00 C ATOM 1255 C GLY A 84 10.672 3.042 -10.603 1.00 0.00 C ATOM 1256 O GLY A 84 10.311 3.040 -11.782 1.00 0.00 O ATOM 0 H GLY A 84 8.185 2.424 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.752 3.738 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.880 1.994 -8.910 1.00 0.00 H new ATOM 1260 N ARG A 85 11.947 3.163 -10.232 1.00 0.00 N ATOM 1261 CA ARG A 85 13.024 3.300 -11.209 1.00 0.00 C ATOM 1262 C ARG A 85 13.684 1.944 -11.445 1.00 0.00 C ATOM 1263 O ARG A 85 14.367 1.424 -10.562 1.00 0.00 O ATOM 1264 CB ARG A 85 14.072 4.315 -10.729 1.00 0.00 C ATOM 1265 CG ARG A 85 13.484 5.640 -10.266 1.00 0.00 C ATOM 1266 CD ARG A 85 14.414 6.806 -10.580 1.00 0.00 C ATOM 1267 NE ARG A 85 13.954 8.059 -9.978 1.00 0.00 N ATOM 1268 CZ ARG A 85 14.396 9.269 -10.336 1.00 0.00 C ATOM 1269 NH1 ARG A 85 15.317 9.397 -11.288 1.00 0.00 N ATOM 1270 NH2 ARG A 85 13.918 10.357 -9.738 1.00 0.00 N ATOM 0 H ARG A 85 12.258 3.169 -9.261 1.00 0.00 H new ATOM 0 HA ARG A 85 12.597 3.663 -12.144 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.640 3.875 -9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 85 14.776 4.505 -11.539 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.521 5.801 -10.751 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.298 5.601 -9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.416 6.577 -10.217 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.487 6.929 -11.661 1.00 0.00 H new ATOM 0 HE ARG A 85 13.253 8.005 -9.239 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.691 8.568 -11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.649 10.324 -11.555 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.214 10.269 -9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.256 11.280 -10.012 1.00 0.00 H new ATOM 1284 N PRO A 86 13.479 1.344 -12.639 1.00 0.00 N ATOM 1285 CA PRO A 86 14.049 0.034 -12.981 1.00 0.00 C ATOM 1286 C PRO A 86 15.547 -0.044 -12.692 1.00 0.00 C ATOM 1287 O PRO A 86 16.356 0.557 -13.404 1.00 0.00 O ATOM 1288 CB PRO A 86 13.782 -0.093 -14.482 1.00 0.00 C ATOM 1289 CG PRO A 86 12.581 0.751 -14.723 1.00 0.00 C ATOM 1290 CD PRO A 86 12.666 1.892 -13.745 1.00 0.00 C ATOM 0 HA PRO A 86 13.607 -0.768 -12.389 1.00 0.00 H new ATOM 0 HB2 PRO A 86 14.634 0.254 -15.067 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.601 -1.130 -14.766 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.563 1.118 -15.749 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.666 0.178 -14.574 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.136 2.768 -14.192 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.678 2.200 -13.402 1.00 0.00 H new ATOM 1298 N PRO A 87 15.935 -0.778 -11.626 1.00 0.00 N ATOM 1299 CA PRO A 87 17.341 -0.929 -11.225 1.00 0.00 C ATOM 1300 C PRO A 87 18.149 -1.748 -12.233 1.00 0.00 C ATOM 1301 O PRO A 87 18.434 -2.927 -12.011 1.00 0.00 O ATOM 1302 CB PRO A 87 17.260 -1.656 -9.871 1.00 0.00 C ATOM 1303 CG PRO A 87 15.834 -1.543 -9.446 1.00 0.00 C ATOM 1304 CD PRO A 87 15.038 -1.508 -10.715 1.00 0.00 C ATOM 0 HA PRO A 87 17.852 0.032 -11.170 1.00 0.00 H new ATOM 0 HB2 PRO A 87 17.560 -2.700 -9.967 1.00 0.00 H new ATOM 0 HB3 PRO A 87 17.926 -1.199 -9.139 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.542 -2.389 -8.823 1.00 0.00 H new ATOM 0 HG3 PRO A 87 15.671 -0.641 -8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 87 14.813 -2.509 -11.082 1.00 0.00 H new ATOM 0 HD3 PRO A 87 14.085 -0.995 -10.584 1.00 0.00 H new ATOM 1312 N GLY A 88 18.512 -1.111 -13.343 1.00 0.00 N ATOM 1313 CA GLY A 88 19.280 -1.782 -14.375 1.00 0.00 C ATOM 1314 C GLY A 88 20.280 -0.858 -15.038 1.00 0.00 C ATOM 1315 O GLY A 88 20.064 -0.412 -16.166 1.00 0.00 O ATOM 0 H GLY A 88 18.286 -0.137 -13.546 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.806 -2.631 -13.939 1.00 0.00 H new ATOM 0 HA3 GLY A 88 18.601 -2.181 -15.129 1.00 0.00 H new ATOM 1319 N SER A 89 21.372 -0.563 -14.335 1.00 0.00 N ATOM 1320 CA SER A 89 22.411 0.322 -14.857 1.00 0.00 C ATOM 1321 C SER A 89 23.651 0.300 -13.966 1.00 0.00 C ATOM 1322 O SER A 89 23.519 -0.035 -12.768 1.00 0.00 O ATOM 1323 CB SER A 89 21.877 1.757 -14.976 1.00 0.00 C ATOM 1324 OG SER A 89 22.750 2.583 -15.734 1.00 0.00 O ATOM 1325 OXT SER A 89 24.748 0.615 -14.474 1.00 0.00 O ATOM 0 H SER A 89 21.560 -0.925 -13.400 1.00 0.00 H new ATOM 0 HA SER A 89 22.694 -0.038 -15.846 1.00 0.00 H new ATOM 0 HB2 SER A 89 20.893 1.741 -15.445 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.749 2.181 -13.980 1.00 0.00 H new ATOM 0 HG SER A 89 22.275 2.929 -16.518 1.00 0.00 H new TER 1331 SER A 89 ATOM 1332 N VAL B 90 2.968 15.924 3.802 1.00 0.00 N ATOM 1333 CA VAL B 90 3.851 15.091 4.665 1.00 0.00 C ATOM 1334 C VAL B 90 3.286 14.982 6.079 1.00 0.00 C ATOM 1335 O VAL B 90 2.830 15.975 6.649 1.00 0.00 O ATOM 1336 CB VAL B 90 5.284 15.668 4.735 1.00 0.00 C ATOM 1337 CG1 VAL B 90 6.224 14.703 5.447 1.00 0.00 C ATOM 1338 CG2 VAL B 90 5.803 15.992 3.341 1.00 0.00 C ATOM 0 HA VAL B 90 3.893 14.100 4.214 1.00 0.00 H new ATOM 0 HB VAL B 90 5.248 16.593 5.310 1.00 0.00 H new ATOM 0 HG11 VAL B 90 7.226 15.131 5.484 1.00 0.00 H new ATOM 0 HG12 VAL B 90 5.866 14.529 6.462 1.00 0.00 H new ATOM 0 HG13 VAL B 90 6.253 13.757 4.906 1.00 0.00 H new ATOM 0 HG21 VAL B 90 6.813 16.397 3.414 1.00 0.00 H new ATOM 0 HG22 VAL B 90 5.818 15.084 2.738 1.00 0.00 H new ATOM 0 HG23 VAL B 90 5.150 16.728 2.872 1.00 0.00 H new ATOM 1350 N GLU B 91 3.321 13.767 6.631 1.00 0.00 N ATOM 1351 CA GLU B 91 2.817 13.501 7.978 1.00 0.00 C ATOM 1352 C GLU B 91 1.343 13.894 8.108 1.00 0.00 C ATOM 1353 O GLU B 91 1.003 14.884 8.759 1.00 0.00 O ATOM 1354 CB GLU B 91 3.663 14.235 9.023 1.00 0.00 C ATOM 1355 CG GLU B 91 3.801 13.475 10.333 1.00 0.00 C ATOM 1356 CD GLU B 91 5.076 13.817 11.081 1.00 0.00 C ATOM 1357 OE1 GLU B 91 6.172 13.594 10.522 1.00 0.00 O ATOM 1358 OE2 GLU B 91 4.978 14.303 12.226 1.00 0.00 O ATOM 0 H GLU B 91 3.697 12.945 6.159 1.00 0.00 H new ATOM 0 HA GLU B 91 2.894 12.429 8.158 1.00 0.00 H new ATOM 0 HB2 GLU B 91 4.656 14.418 8.612 1.00 0.00 H new ATOM 0 HB3 GLU B 91 3.216 15.209 9.222 1.00 0.00 H new ATOM 0 HG2 GLU B 91 2.943 13.696 10.968 1.00 0.00 H new ATOM 0 HG3 GLU B 91 3.780 12.404 10.130 1.00 0.00 H new ATOM 1365 N ASN B 92 0.473 13.102 7.481 1.00 0.00 N ATOM 1366 CA ASN B 92 -0.968 13.349 7.520 1.00 0.00 C ATOM 1367 C ASN B 92 -1.746 12.068 7.218 1.00 0.00 C ATOM 1368 O ASN B 92 -2.632 11.678 7.980 1.00 0.00 O ATOM 1369 CB ASN B 92 -1.359 14.446 6.520 1.00 0.00 C ATOM 1370 CG ASN B 92 -1.386 15.828 7.149 1.00 0.00 C ATOM 1371 OD1 ASN B 92 -2.153 16.084 8.074 1.00 0.00 O ATOM 1372 ND2 ASN B 92 -0.547 16.729 6.646 1.00 0.00 N ATOM 0 H ASN B 92 0.743 12.281 6.938 1.00 0.00 H new ATOM 0 HA ASN B 92 -1.223 13.684 8.525 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -0.654 14.443 5.689 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -2.341 14.221 6.105 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -0.524 17.674 7.029 1.00 0.00 H new ATOM 0 HD22 ASN B 92 0.074 16.475 5.877 1.00 0.00 H new ATOM 1379 N LYS B 93 -1.407 11.414 6.103 1.00 0.00 N ATOM 1380 CA LYS B 93 -2.071 10.176 5.705 1.00 0.00 C ATOM 1381 C LYS B 93 -1.050 9.066 5.445 1.00 0.00 C ATOM 1382 O LYS B 93 -0.801 8.690 4.297 1.00 0.00 O ATOM 1383 CB LYS B 93 -2.932 10.410 4.460 1.00 0.00 C ATOM 1384 CG LYS B 93 -4.178 11.243 4.720 1.00 0.00 C ATOM 1385 CD LYS B 93 -4.836 11.676 3.418 1.00 0.00 C ATOM 1386 CE LYS B 93 -5.567 10.521 2.743 1.00 0.00 C ATOM 1387 NZ LYS B 93 -4.643 9.634 1.974 1.00 0.00 N ATOM 0 H LYS B 93 -0.676 11.724 5.462 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.717 9.858 6.524 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -2.328 10.906 3.700 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -3.231 9.445 4.050 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.887 10.665 5.313 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -3.914 12.123 5.307 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -5.539 12.485 3.617 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -4.078 12.072 2.742 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -6.086 9.932 3.499 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.327 10.919 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -5.010 9.502 1.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -3.700 10.071 1.929 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -4.574 8.710 2.447 1.00 0.00 H new ATOM 1401 N VAL B 94 -0.465 8.545 6.524 1.00 0.00 N ATOM 1402 CA VAL B 94 0.525 7.476 6.428 1.00 0.00 C ATOM 1403 C VAL B 94 -0.055 6.157 6.945 1.00 0.00 C ATOM 1404 O VAL B 94 -0.727 6.132 7.978 1.00 0.00 O ATOM 1405 CB VAL B 94 1.805 7.827 7.229 1.00 0.00 C ATOM 1406 CG1 VAL B 94 2.891 6.782 7.010 1.00 0.00 C ATOM 1407 CG2 VAL B 94 2.313 9.215 6.854 1.00 0.00 C ATOM 0 H VAL B 94 -0.662 8.849 7.478 1.00 0.00 H new ATOM 0 HA VAL B 94 0.789 7.365 5.376 1.00 0.00 H new ATOM 0 HB VAL B 94 1.547 7.830 8.288 1.00 0.00 H new ATOM 0 HG11 VAL B 94 3.778 7.053 7.583 1.00 0.00 H new ATOM 0 HG12 VAL B 94 2.530 5.808 7.339 1.00 0.00 H new ATOM 0 HG13 VAL B 94 3.144 6.737 5.951 1.00 0.00 H new ATOM 0 HG21 VAL B 94 3.212 9.441 7.428 1.00 0.00 H new ATOM 0 HG22 VAL B 94 2.546 9.242 5.790 1.00 0.00 H new ATOM 0 HG23 VAL B 94 1.545 9.956 7.076 1.00 0.00 H new ATOM 1417 N THR B 95 0.209 5.065 6.224 1.00 0.00 N ATOM 1418 CA THR B 95 -0.292 3.747 6.617 1.00 0.00 C ATOM 1419 C THR B 95 0.798 2.686 6.490 1.00 0.00 C ATOM 1420 O THR B 95 1.406 2.531 5.429 1.00 0.00 O ATOM 1421 CB THR B 95 -1.510 3.349 5.770 1.00 0.00 C ATOM 1422 OG1 THR B 95 -2.463 4.402 5.731 1.00 0.00 O ATOM 1423 CG2 THR B 95 -2.216 2.108 6.285 1.00 0.00 C ATOM 0 H THR B 95 0.765 5.067 5.369 1.00 0.00 H new ATOM 0 HA THR B 95 -0.597 3.809 7.662 1.00 0.00 H new ATOM 0 HB THR B 95 -1.115 3.139 4.776 1.00 0.00 H new ATOM 0 HG1 THR B 95 -2.590 4.762 6.634 1.00 0.00 H new ATOM 0 HG21 THR B 95 -3.067 1.881 5.643 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.523 1.267 6.280 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.566 2.284 7.302 1.00 0.00 H new ATOM 1431 N ASP B 96 1.039 1.959 7.578 1.00 0.00 N ATOM 1432 CA ASP B 96 2.056 0.912 7.598 1.00 0.00 C ATOM 1433 C ASP B 96 1.558 -0.323 8.348 1.00 0.00 C ATOM 1434 O ASP B 96 0.690 -0.227 9.217 1.00 0.00 O ATOM 1435 CB ASP B 96 3.355 1.440 8.226 1.00 0.00 C ATOM 1436 CG ASP B 96 3.206 1.864 9.682 1.00 0.00 C ATOM 1437 OD1 ASP B 96 2.121 2.353 10.061 1.00 0.00 O ATOM 1438 OD2 ASP B 96 4.184 1.712 10.442 1.00 0.00 O ATOM 0 H ASP B 96 0.541 2.077 8.461 1.00 0.00 H new ATOM 0 HA ASP B 96 2.262 0.618 6.569 1.00 0.00 H new ATOM 0 HB2 ASP B 96 4.120 0.667 8.159 1.00 0.00 H new ATOM 0 HB3 ASP B 96 3.709 2.291 7.644 1.00 0.00 H new ATOM 1443 N LEU B 97 2.113 -1.482 7.994 1.00 0.00 N ATOM 1444 CA LEU B 97 1.734 -2.750 8.618 1.00 0.00 C ATOM 1445 C LEU B 97 2.963 -3.602 8.943 1.00 0.00 C ATOM 1446 O LEU B 97 2.823 -4.564 9.728 1.00 0.00 O ATOM 1447 CB LEU B 97 0.797 -3.533 7.694 1.00 0.00 C ATOM 1448 CG LEU B 97 -0.689 -3.209 7.850 1.00 0.00 C ATOM 1449 CD1 LEU B 97 -1.106 -2.107 6.883 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -1.526 -4.462 7.637 1.00 0.00 C ATOM 1451 OXT LEU B 97 4.054 -3.309 8.407 1.00 0.00 O ATOM 0 H LEU B 97 2.831 -1.569 7.274 1.00 0.00 H new ATOM 0 HA LEU B 97 1.220 -2.520 9.551 1.00 0.00 H new ATOM 0 HB2 LEU B 97 1.088 -3.342 6.661 1.00 0.00 H new ATOM 0 HB3 LEU B 97 0.941 -4.598 7.874 1.00 0.00 H new ATOM 0 HG LEU B 97 -0.861 -2.848 8.864 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -2.167 -1.893 7.011 1.00 0.00 H new ATOM 0 HD12 LEU B 97 -0.527 -1.206 7.086 1.00 0.00 H new ATOM 0 HD13 LEU B 97 -0.923 -2.433 5.859 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -2.582 -4.218 7.751 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -1.350 -4.851 6.634 1.00 0.00 H new ATOM 0 HD23 LEU B 97 -1.247 -5.216 8.373 1.00 0.00 H new TER 1463 LEU B 97