USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -33:sc= 0.178 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.165 K(o=0.34,f=-0.74) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0615 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 15 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.13) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= -0.0297 (180deg=-0.321) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.92! C(o=-2.9!,f=-2.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc=0.000285 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 24:sc= 0.211 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 100:sc= 0.126 USER MOD Single : A 66 SER OG : rot 43:sc= 0.584 USER MOD Single : A 69 LYS NZ :NH3+ -136:sc= -0.161 (180deg=-0.294) USER MOD Single : A 70 ASN : amide:sc= -0.234 K(o=-0.23,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.406 12.399 -24.067 1.00 0.00 N ATOM 2 CA GLY A 1 -7.726 12.984 -23.922 1.00 0.00 C ATOM 3 C GLY A 1 -8.722 12.022 -23.306 1.00 0.00 C ATOM 4 O GLY A 1 -8.465 10.821 -23.222 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.723 12.937 -23.496 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.427 11.411 -23.743 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.121 12.429 -25.067 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.658 13.878 -23.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.089 13.301 -24.900 1.00 0.00 H new ATOM 8 N SER A 2 -9.862 12.550 -22.873 1.00 0.00 N ATOM 9 CA SER A 2 -10.899 11.730 -22.256 1.00 0.00 C ATOM 10 C SER A 2 -11.617 10.884 -23.303 1.00 0.00 C ATOM 11 O SER A 2 -12.670 11.268 -23.811 1.00 0.00 O ATOM 12 CB SER A 2 -11.907 12.614 -21.519 1.00 0.00 C ATOM 13 OG SER A 2 -11.261 13.437 -20.563 1.00 0.00 O ATOM 0 H SER A 2 -10.091 13.542 -22.938 1.00 0.00 H new ATOM 0 HA SER A 2 -10.421 11.062 -21.540 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.442 13.236 -22.236 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.649 11.989 -21.023 1.00 0.00 H new ATOM 0 HG SER A 2 -11.927 13.993 -20.107 1.00 0.00 H new ATOM 19 N SER A 3 -11.039 9.730 -23.620 1.00 0.00 N ATOM 20 CA SER A 3 -11.620 8.830 -24.609 1.00 0.00 C ATOM 21 C SER A 3 -12.657 7.914 -23.966 1.00 0.00 C ATOM 22 O SER A 3 -12.468 7.429 -22.852 1.00 0.00 O ATOM 23 CB SER A 3 -10.526 7.993 -25.273 1.00 0.00 C ATOM 24 OG SER A 3 -9.563 8.820 -25.905 1.00 0.00 O ATOM 0 H SER A 3 -10.169 9.396 -23.206 1.00 0.00 H new ATOM 0 HA SER A 3 -12.115 9.435 -25.368 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.038 7.368 -24.525 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.972 7.323 -26.007 1.00 0.00 H new ATOM 0 HG SER A 3 -8.874 8.261 -26.320 1.00 0.00 H new ATOM 30 N GLY A 4 -13.755 7.682 -24.679 1.00 0.00 N ATOM 31 CA GLY A 4 -14.807 6.825 -24.164 1.00 0.00 C ATOM 32 C GLY A 4 -16.189 7.289 -24.581 1.00 0.00 C ATOM 33 O GLY A 4 -17.121 7.287 -23.776 1.00 0.00 O ATOM 0 H GLY A 4 -13.935 8.072 -25.604 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.647 5.806 -24.517 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.749 6.798 -23.076 1.00 0.00 H new ATOM 37 N SER A 5 -16.322 7.689 -25.841 1.00 0.00 N ATOM 38 CA SER A 5 -17.599 8.163 -26.362 1.00 0.00 C ATOM 39 C SER A 5 -17.778 7.749 -27.820 1.00 0.00 C ATOM 40 O SER A 5 -16.941 8.051 -28.670 1.00 0.00 O ATOM 41 CB SER A 5 -17.692 9.685 -26.237 1.00 0.00 C ATOM 42 OG SER A 5 -17.450 10.102 -24.904 1.00 0.00 O ATOM 0 H SER A 5 -15.561 7.694 -26.520 1.00 0.00 H new ATOM 0 HA SER A 5 -18.395 7.708 -25.773 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.969 10.153 -26.905 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.680 10.019 -26.552 1.00 0.00 H new ATOM 0 HG SER A 5 -17.513 11.078 -24.850 1.00 0.00 H new ATOM 48 N SER A 6 -18.877 7.057 -28.101 1.00 0.00 N ATOM 49 CA SER A 6 -19.166 6.598 -29.455 1.00 0.00 C ATOM 50 C SER A 6 -20.572 7.010 -29.880 1.00 0.00 C ATOM 51 O SER A 6 -21.331 7.573 -29.091 1.00 0.00 O ATOM 52 CB SER A 6 -19.020 5.077 -29.542 1.00 0.00 C ATOM 53 OG SER A 6 -19.913 4.427 -28.655 1.00 0.00 O ATOM 0 H SER A 6 -19.582 6.802 -27.410 1.00 0.00 H new ATOM 0 HA SER A 6 -18.450 7.065 -30.131 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.213 4.748 -30.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.995 4.793 -29.304 1.00 0.00 H new ATOM 0 HG SER A 6 -19.801 3.456 -28.731 1.00 0.00 H new ATOM 59 N GLY A 7 -20.912 6.726 -31.133 1.00 0.00 N ATOM 60 CA GLY A 7 -22.226 7.074 -31.643 1.00 0.00 C ATOM 61 C GLY A 7 -23.333 6.270 -30.990 1.00 0.00 C ATOM 62 O GLY A 7 -23.070 5.399 -30.161 1.00 0.00 O ATOM 0 H GLY A 7 -20.301 6.261 -31.805 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.407 8.136 -31.478 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.249 6.910 -32.720 1.00 0.00 H new ATOM 66 N MET A 8 -24.574 6.563 -31.363 1.00 0.00 N ATOM 67 CA MET A 8 -25.725 5.861 -30.807 1.00 0.00 C ATOM 68 C MET A 8 -25.452 4.363 -30.709 1.00 0.00 C ATOM 69 O MET A 8 -24.934 3.754 -31.644 1.00 0.00 O ATOM 70 CB MET A 8 -26.965 6.109 -31.668 1.00 0.00 C ATOM 71 CG MET A 8 -26.820 5.620 -33.099 1.00 0.00 C ATOM 72 SD MET A 8 -27.310 3.896 -33.296 1.00 0.00 S ATOM 73 CE MET A 8 -27.112 3.687 -35.064 1.00 0.00 C ATOM 0 H MET A 8 -24.809 7.282 -32.048 1.00 0.00 H new ATOM 0 HA MET A 8 -25.905 6.247 -29.804 1.00 0.00 H new ATOM 0 HB2 MET A 8 -27.821 5.614 -31.209 1.00 0.00 H new ATOM 0 HB3 MET A 8 -27.182 7.177 -31.678 1.00 0.00 H new ATOM 0 HG2 MET A 8 -27.427 6.244 -33.755 1.00 0.00 H new ATOM 0 HG3 MET A 8 -25.784 5.738 -33.416 1.00 0.00 H new ATOM 0 HE1 MET A 8 -27.378 2.667 -35.342 1.00 0.00 H new ATOM 0 HE2 MET A 8 -27.762 4.387 -35.588 1.00 0.00 H new ATOM 0 HE3 MET A 8 -26.075 3.879 -35.339 1.00 0.00 H new ATOM 83 N ALA A 9 -25.804 3.776 -29.570 1.00 0.00 N ATOM 84 CA ALA A 9 -25.598 2.350 -29.350 1.00 0.00 C ATOM 85 C ALA A 9 -26.787 1.729 -28.624 1.00 0.00 C ATOM 86 O ALA A 9 -27.550 2.425 -27.954 1.00 0.00 O ATOM 87 CB ALA A 9 -24.317 2.116 -28.564 1.00 0.00 C ATOM 0 H ALA A 9 -26.233 4.266 -28.785 1.00 0.00 H new ATOM 0 HA ALA A 9 -25.507 1.867 -30.323 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -24.176 1.047 -28.407 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -23.470 2.515 -29.122 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -24.385 2.618 -27.599 1.00 0.00 H new ATOM 93 N SER A 10 -26.940 0.416 -28.763 1.00 0.00 N ATOM 94 CA SER A 10 -28.039 -0.298 -28.124 1.00 0.00 C ATOM 95 C SER A 10 -27.533 -1.545 -27.407 1.00 0.00 C ATOM 96 O SER A 10 -27.219 -2.554 -28.037 1.00 0.00 O ATOM 97 CB SER A 10 -29.095 -0.686 -29.162 1.00 0.00 C ATOM 98 OG SER A 10 -30.045 -1.582 -28.612 1.00 0.00 O ATOM 0 H SER A 10 -26.316 -0.175 -29.313 1.00 0.00 H new ATOM 0 HA SER A 10 -28.491 0.366 -27.387 1.00 0.00 H new ATOM 0 HB2 SER A 10 -29.601 0.209 -29.523 1.00 0.00 H new ATOM 0 HB3 SER A 10 -28.611 -1.147 -30.023 1.00 0.00 H new ATOM 0 HG SER A 10 -30.709 -1.813 -29.294 1.00 0.00 H new ATOM 104 N GLY A 11 -27.455 -1.467 -26.081 1.00 0.00 N ATOM 105 CA GLY A 11 -26.986 -2.596 -25.298 1.00 0.00 C ATOM 106 C GLY A 11 -27.282 -2.439 -23.820 1.00 0.00 C ATOM 107 O GLY A 11 -27.103 -1.359 -23.256 1.00 0.00 O ATOM 0 H GLY A 11 -27.708 -0.643 -25.536 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -27.456 -3.509 -25.665 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -25.911 -2.711 -25.440 1.00 0.00 H new ATOM 111 N GLN A 12 -27.739 -3.517 -23.192 1.00 0.00 N ATOM 112 CA GLN A 12 -28.063 -3.493 -21.771 1.00 0.00 C ATOM 113 C GLN A 12 -26.982 -4.192 -20.953 1.00 0.00 C ATOM 114 O GLN A 12 -26.479 -3.644 -19.972 1.00 0.00 O ATOM 115 CB GLN A 12 -29.417 -4.161 -21.524 1.00 0.00 C ATOM 116 CG GLN A 12 -29.845 -4.147 -20.065 1.00 0.00 C ATOM 117 CD GLN A 12 -29.706 -2.778 -19.429 1.00 0.00 C ATOM 118 OE1 GLN A 12 -30.222 -1.786 -19.945 1.00 0.00 O ATOM 119 NE2 GLN A 12 -29.007 -2.717 -18.301 1.00 0.00 N ATOM 0 H GLN A 12 -27.893 -4.418 -23.645 1.00 0.00 H new ATOM 0 HA GLN A 12 -28.116 -2.451 -21.454 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -30.176 -3.656 -22.122 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -29.372 -5.193 -21.871 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -30.882 -4.474 -19.991 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -29.244 -4.865 -19.507 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -28.597 -3.565 -17.909 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -28.881 -1.823 -17.827 1.00 0.00 H new ATOM 128 N PHE A 13 -26.629 -5.406 -21.364 1.00 0.00 N ATOM 129 CA PHE A 13 -25.608 -6.181 -20.669 1.00 0.00 C ATOM 130 C PHE A 13 -24.715 -6.919 -21.662 1.00 0.00 C ATOM 131 O PHE A 13 -25.106 -7.163 -22.803 1.00 0.00 O ATOM 132 CB PHE A 13 -26.260 -7.181 -19.712 1.00 0.00 C ATOM 133 CG PHE A 13 -27.235 -8.105 -20.383 1.00 0.00 C ATOM 134 CD1 PHE A 13 -26.799 -9.277 -20.981 1.00 0.00 C ATOM 135 CD2 PHE A 13 -28.586 -7.803 -20.415 1.00 0.00 C ATOM 136 CE1 PHE A 13 -27.694 -10.128 -21.600 1.00 0.00 C ATOM 137 CE2 PHE A 13 -29.486 -8.651 -21.033 1.00 0.00 C ATOM 138 CZ PHE A 13 -29.040 -9.816 -21.625 1.00 0.00 C ATOM 0 H PHE A 13 -27.035 -5.874 -22.174 1.00 0.00 H new ATOM 0 HA PHE A 13 -24.990 -5.489 -20.096 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -25.481 -7.774 -19.233 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -26.775 -6.633 -18.923 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -25.749 -9.527 -20.963 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -28.941 -6.894 -19.952 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -27.342 -11.037 -22.064 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -30.537 -8.403 -21.053 1.00 0.00 H new ATOM 0 HZ PHE A 13 -29.741 -10.482 -22.106 1.00 0.00 H new ATOM 148 N VAL A 14 -23.512 -7.270 -21.219 1.00 0.00 N ATOM 149 CA VAL A 14 -22.562 -7.981 -22.068 1.00 0.00 C ATOM 150 C VAL A 14 -22.428 -9.438 -21.642 1.00 0.00 C ATOM 151 O VAL A 14 -22.674 -10.351 -22.428 1.00 0.00 O ATOM 152 CB VAL A 14 -21.173 -7.317 -22.034 1.00 0.00 C ATOM 153 CG1 VAL A 14 -20.182 -8.109 -22.872 1.00 0.00 C ATOM 154 CG2 VAL A 14 -21.259 -5.876 -22.515 1.00 0.00 C ATOM 0 H VAL A 14 -23.172 -7.074 -20.278 1.00 0.00 H new ATOM 0 HA VAL A 14 -22.952 -7.938 -23.085 1.00 0.00 H new ATOM 0 HB VAL A 14 -20.818 -7.311 -21.004 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.206 -7.625 -22.836 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -20.099 -9.122 -22.477 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.529 -8.149 -23.904 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.268 -5.422 -22.484 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.636 -5.856 -23.538 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.935 -5.316 -21.868 1.00 0.00 H new ATOM 164 N ASN A 15 -22.035 -9.649 -20.389 1.00 0.00 N ATOM 165 CA ASN A 15 -21.867 -10.996 -19.857 1.00 0.00 C ATOM 166 C ASN A 15 -23.099 -11.426 -19.067 1.00 0.00 C ATOM 167 O ASN A 15 -23.749 -10.609 -18.416 1.00 0.00 O ATOM 168 CB ASN A 15 -20.625 -11.064 -18.966 1.00 0.00 C ATOM 169 CG ASN A 15 -20.287 -12.483 -18.552 1.00 0.00 C ATOM 170 OD1 ASN A 15 -20.421 -13.420 -19.340 1.00 0.00 O ATOM 171 ND2 ASN A 15 -19.847 -12.648 -17.310 1.00 0.00 N ATOM 0 H ASN A 15 -21.827 -8.904 -19.724 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.740 -11.679 -20.697 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -19.777 -10.631 -19.496 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -20.787 -10.457 -18.075 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -19.604 -13.580 -16.975 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -19.752 -11.843 -16.692 1.00 0.00 H new ATOM 178 N LYS A 16 -23.413 -12.716 -19.127 1.00 0.00 N ATOM 179 CA LYS A 16 -24.565 -13.257 -18.416 1.00 0.00 C ATOM 180 C LYS A 16 -24.199 -13.617 -16.980 1.00 0.00 C ATOM 181 O LYS A 16 -24.624 -14.649 -16.460 1.00 0.00 O ATOM 182 CB LYS A 16 -25.104 -14.493 -19.141 1.00 0.00 C ATOM 183 CG LYS A 16 -25.795 -14.174 -20.456 1.00 0.00 C ATOM 184 CD LYS A 16 -24.817 -14.191 -21.619 1.00 0.00 C ATOM 185 CE LYS A 16 -24.440 -15.612 -22.009 1.00 0.00 C ATOM 186 NZ LYS A 16 -23.153 -15.659 -22.757 1.00 0.00 N ATOM 0 H LYS A 16 -22.885 -13.406 -19.661 1.00 0.00 H new ATOM 0 HA LYS A 16 -25.339 -12.490 -18.394 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.280 -15.181 -19.331 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.806 -15.010 -18.487 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.589 -14.899 -20.636 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -26.268 -13.194 -20.391 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -25.260 -13.683 -22.476 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -23.919 -13.636 -21.349 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -24.361 -16.226 -21.112 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -25.232 -16.043 -22.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.931 -16.644 -23.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -23.236 -15.094 -23.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -22.392 -15.272 -22.163 1.00 0.00 H new ATOM 200 N LEU A 17 -23.409 -12.759 -16.344 1.00 0.00 N ATOM 201 CA LEU A 17 -22.986 -12.986 -14.966 1.00 0.00 C ATOM 202 C LEU A 17 -22.649 -11.668 -14.276 1.00 0.00 C ATOM 203 O LEU A 17 -22.228 -10.709 -14.922 1.00 0.00 O ATOM 204 CB LEU A 17 -21.774 -13.918 -14.931 1.00 0.00 C ATOM 205 CG LEU A 17 -21.350 -14.416 -13.548 1.00 0.00 C ATOM 206 CD1 LEU A 17 -22.468 -15.222 -12.905 1.00 0.00 C ATOM 207 CD2 LEU A 17 -20.079 -15.248 -13.647 1.00 0.00 C ATOM 0 H LEU A 17 -23.048 -11.900 -16.760 1.00 0.00 H new ATOM 0 HA LEU A 17 -23.812 -13.454 -14.431 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -21.989 -14.784 -15.557 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -20.929 -13.399 -15.383 1.00 0.00 H new ATOM 0 HG LEU A 17 -21.146 -13.550 -12.918 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.148 -15.568 -11.922 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -23.354 -14.595 -12.799 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.705 -16.081 -13.533 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -19.792 -15.594 -12.654 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -20.256 -16.108 -14.293 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -19.277 -14.639 -14.065 1.00 0.00 H new ATOM 219 N GLN A 18 -22.836 -11.630 -12.960 1.00 0.00 N ATOM 220 CA GLN A 18 -22.549 -10.430 -12.183 1.00 0.00 C ATOM 221 C GLN A 18 -21.401 -10.673 -11.210 1.00 0.00 C ATOM 222 O GLN A 18 -21.622 -10.987 -10.041 1.00 0.00 O ATOM 223 CB GLN A 18 -23.796 -9.984 -11.418 1.00 0.00 C ATOM 224 CG GLN A 18 -24.944 -9.558 -12.319 1.00 0.00 C ATOM 225 CD GLN A 18 -25.835 -10.719 -12.717 1.00 0.00 C ATOM 226 OE1 GLN A 18 -26.554 -11.276 -11.888 1.00 0.00 O ATOM 227 NE2 GLN A 18 -25.791 -11.089 -13.992 1.00 0.00 N ATOM 0 H GLN A 18 -23.185 -12.416 -12.411 1.00 0.00 H new ATOM 0 HA GLN A 18 -22.253 -9.641 -12.875 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -24.131 -10.801 -10.779 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -23.532 -9.154 -10.763 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -25.542 -8.804 -11.807 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -24.542 -9.089 -13.217 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -25.180 -10.598 -14.645 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -26.368 -11.864 -14.318 1.00 0.00 H new ATOM 236 N GLU A 19 -20.174 -10.526 -11.701 1.00 0.00 N ATOM 237 CA GLU A 19 -18.991 -10.731 -10.874 1.00 0.00 C ATOM 238 C GLU A 19 -18.064 -9.521 -10.941 1.00 0.00 C ATOM 239 O GLU A 19 -17.146 -9.475 -11.759 1.00 0.00 O ATOM 240 CB GLU A 19 -18.241 -11.988 -11.320 1.00 0.00 C ATOM 241 CG GLU A 19 -18.832 -13.276 -10.773 1.00 0.00 C ATOM 242 CD GLU A 19 -18.973 -13.259 -9.264 1.00 0.00 C ATOM 243 OE1 GLU A 19 -17.933 -13.255 -8.572 1.00 0.00 O ATOM 244 OE2 GLU A 19 -20.122 -13.250 -8.774 1.00 0.00 O ATOM 0 H GLU A 19 -19.974 -10.266 -12.667 1.00 0.00 H new ATOM 0 HA GLU A 19 -19.318 -10.859 -9.842 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.240 -12.033 -12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.201 -11.912 -11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.810 -13.442 -11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.200 -14.114 -11.066 1.00 0.00 H new ATOM 251 N GLU A 20 -18.312 -8.544 -10.075 1.00 0.00 N ATOM 252 CA GLU A 20 -17.500 -7.333 -10.037 1.00 0.00 C ATOM 253 C GLU A 20 -16.702 -7.253 -8.739 1.00 0.00 C ATOM 254 O GLU A 20 -17.068 -7.862 -7.734 1.00 0.00 O ATOM 255 CB GLU A 20 -18.387 -6.094 -10.181 1.00 0.00 C ATOM 256 CG GLU A 20 -19.136 -6.031 -11.501 1.00 0.00 C ATOM 257 CD GLU A 20 -18.344 -5.328 -12.588 1.00 0.00 C ATOM 258 OE1 GLU A 20 -17.124 -5.574 -12.685 1.00 0.00 O ATOM 259 OE2 GLU A 20 -18.945 -4.533 -13.340 1.00 0.00 O ATOM 0 H GLU A 20 -19.068 -8.567 -9.391 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.800 -7.369 -10.871 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -19.107 -6.076 -9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.769 -5.202 -10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.375 -7.043 -11.828 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -20.083 -5.512 -11.353 1.00 0.00 H new ATOM 266 N VAL A 21 -15.608 -6.499 -8.770 1.00 0.00 N ATOM 267 CA VAL A 21 -14.757 -6.338 -7.596 1.00 0.00 C ATOM 268 C VAL A 21 -14.683 -4.877 -7.167 1.00 0.00 C ATOM 269 O VAL A 21 -14.677 -3.974 -8.004 1.00 0.00 O ATOM 270 CB VAL A 21 -13.332 -6.857 -7.862 1.00 0.00 C ATOM 271 CG1 VAL A 21 -12.484 -6.757 -6.603 1.00 0.00 C ATOM 272 CG2 VAL A 21 -13.373 -8.289 -8.375 1.00 0.00 C ATOM 0 H VAL A 21 -15.290 -5.990 -9.595 1.00 0.00 H new ATOM 0 HA VAL A 21 -15.206 -6.926 -6.795 1.00 0.00 H new ATOM 0 HB VAL A 21 -12.874 -6.234 -8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.480 -7.128 -6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.427 -5.716 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.936 -7.355 -5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.357 -8.639 -8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.849 -8.928 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -13.942 -8.327 -9.304 1.00 0.00 H new ATOM 282 N ILE A 22 -14.626 -4.653 -5.859 1.00 0.00 N ATOM 283 CA ILE A 22 -14.550 -3.301 -5.319 1.00 0.00 C ATOM 284 C ILE A 22 -13.256 -3.092 -4.539 1.00 0.00 C ATOM 285 O ILE A 22 -12.660 -4.046 -4.037 1.00 0.00 O ATOM 286 CB ILE A 22 -15.746 -2.995 -4.398 1.00 0.00 C ATOM 287 CG1 ILE A 22 -17.062 -3.306 -5.114 1.00 0.00 C ATOM 288 CG2 ILE A 22 -15.711 -1.541 -3.951 1.00 0.00 C ATOM 289 CD1 ILE A 22 -18.256 -3.359 -4.187 1.00 0.00 C ATOM 0 H ILE A 22 -14.631 -5.390 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.573 -2.620 -6.170 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.677 -3.629 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.239 -2.549 -5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.969 -4.262 -5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.562 -1.340 -3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.786 -1.350 -3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.760 -0.891 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -19.154 -3.584 -4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -18.101 -4.136 -3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.375 -2.396 -3.691 1.00 0.00 H new ATOM 301 N CYS A 23 -12.827 -1.838 -4.441 1.00 0.00 N ATOM 302 CA CYS A 23 -11.604 -1.503 -3.721 1.00 0.00 C ATOM 303 C CYS A 23 -11.829 -1.556 -2.213 1.00 0.00 C ATOM 304 O CYS A 23 -12.660 -0.837 -1.658 1.00 0.00 O ATOM 305 CB CYS A 23 -11.116 -0.110 -4.126 1.00 0.00 C ATOM 306 SG CYS A 23 -9.522 0.364 -3.382 1.00 0.00 S ATOM 0 H CYS A 23 -13.308 -1.037 -4.851 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.844 -2.239 -3.983 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.025 -0.070 -5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.870 0.624 -3.842 1.00 0.00 H new ATOM 311 N PRO A 24 -11.070 -2.428 -1.532 1.00 0.00 N ATOM 312 CA PRO A 24 -11.167 -2.596 -0.079 1.00 0.00 C ATOM 313 C PRO A 24 -10.632 -1.388 0.681 1.00 0.00 C ATOM 314 O PRO A 24 -10.565 -1.396 1.911 1.00 0.00 O ATOM 315 CB PRO A 24 -10.300 -3.828 0.194 1.00 0.00 C ATOM 316 CG PRO A 24 -9.328 -3.864 -0.935 1.00 0.00 C ATOM 317 CD PRO A 24 -10.060 -3.318 -2.129 1.00 0.00 C ATOM 0 HA PRO A 24 -12.200 -2.704 0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.789 -3.748 1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.902 -4.736 0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.446 -3.264 -0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.983 -4.881 -1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.391 -2.776 -2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.521 -4.113 -2.716 1.00 0.00 H new ATOM 325 N ILE A 25 -10.252 -0.351 -0.058 1.00 0.00 N ATOM 326 CA ILE A 25 -9.724 0.865 0.548 1.00 0.00 C ATOM 327 C ILE A 25 -10.780 1.964 0.585 1.00 0.00 C ATOM 328 O ILE A 25 -11.104 2.495 1.648 1.00 0.00 O ATOM 329 CB ILE A 25 -8.488 1.381 -0.211 1.00 0.00 C ATOM 330 CG1 ILE A 25 -7.394 0.312 -0.236 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.970 2.661 0.428 1.00 0.00 C ATOM 332 CD1 ILE A 25 -6.240 0.649 -1.154 1.00 0.00 C ATOM 0 H ILE A 25 -10.300 -0.329 -1.077 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.434 0.609 1.567 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.778 1.602 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.013 0.170 0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.831 -0.636 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.096 3.013 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.749 3.423 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.694 2.465 1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.503 -0.153 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.608 0.762 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.777 1.581 -0.829 1.00 0.00 H new ATOM 344 N CYS A 26 -11.316 2.301 -0.584 1.00 0.00 N ATOM 345 CA CYS A 26 -12.337 3.336 -0.687 1.00 0.00 C ATOM 346 C CYS A 26 -13.722 2.719 -0.864 1.00 0.00 C ATOM 347 O CYS A 26 -14.740 3.379 -0.651 1.00 0.00 O ATOM 348 CB CYS A 26 -12.030 4.270 -1.859 1.00 0.00 C ATOM 349 SG CYS A 26 -11.762 3.411 -3.444 1.00 0.00 S ATOM 0 H CYS A 26 -11.060 1.872 -1.473 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.330 3.911 0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.854 4.974 -1.974 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.142 4.855 -1.620 1.00 0.00 H new ATOM 354 N LEU A 27 -13.752 1.449 -1.253 1.00 0.00 N ATOM 355 CA LEU A 27 -15.010 0.742 -1.458 1.00 0.00 C ATOM 356 C LEU A 27 -15.748 1.284 -2.678 1.00 0.00 C ATOM 357 O LEU A 27 -16.944 1.568 -2.618 1.00 0.00 O ATOM 358 CB LEU A 27 -15.896 0.865 -0.217 1.00 0.00 C ATOM 359 CG LEU A 27 -15.195 0.671 1.129 1.00 0.00 C ATOM 360 CD1 LEU A 27 -16.135 1.015 2.274 1.00 0.00 C ATOM 361 CD2 LEU A 27 -14.685 -0.756 1.264 1.00 0.00 C ATOM 0 H LEU A 27 -12.919 0.888 -1.433 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.782 -0.310 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.361 1.851 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.700 0.133 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.340 1.346 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.620 0.871 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.450 2.055 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.010 0.366 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.189 -0.876 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.523 -1.450 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.977 -0.967 0.463 1.00 0.00 H new ATOM 373 N ASP A 28 -15.027 1.423 -3.785 1.00 0.00 N ATOM 374 CA ASP A 28 -15.613 1.929 -5.021 1.00 0.00 C ATOM 375 C ASP A 28 -15.341 0.975 -6.181 1.00 0.00 C ATOM 376 O ASP A 28 -14.261 0.391 -6.277 1.00 0.00 O ATOM 377 CB ASP A 28 -15.057 3.316 -5.345 1.00 0.00 C ATOM 378 CG ASP A 28 -15.604 3.871 -6.645 1.00 0.00 C ATOM 379 OD1 ASP A 28 -16.658 4.539 -6.609 1.00 0.00 O ATOM 380 OD2 ASP A 28 -14.977 3.637 -7.700 1.00 0.00 O ATOM 0 H ASP A 28 -14.036 1.192 -3.852 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.691 2.003 -4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.299 4.000 -4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.970 3.263 -5.405 1.00 0.00 H new ATOM 385 N ILE A 29 -16.328 0.822 -7.058 1.00 0.00 N ATOM 386 CA ILE A 29 -16.195 -0.060 -8.210 1.00 0.00 C ATOM 387 C ILE A 29 -14.817 0.076 -8.850 1.00 0.00 C ATOM 388 O ILE A 29 -14.498 1.104 -9.449 1.00 0.00 O ATOM 389 CB ILE A 29 -17.273 0.232 -9.270 1.00 0.00 C ATOM 390 CG1 ILE A 29 -18.669 0.029 -8.679 1.00 0.00 C ATOM 391 CG2 ILE A 29 -17.073 -0.657 -10.488 1.00 0.00 C ATOM 392 CD1 ILE A 29 -19.777 0.606 -9.533 1.00 0.00 C ATOM 0 H ILE A 29 -17.228 1.298 -6.992 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.324 -1.079 -7.844 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.180 1.272 -9.584 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.845 -1.038 -8.542 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.707 0.488 -7.691 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -17.843 -0.439 -11.228 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.090 -0.467 -10.920 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.142 -1.703 -10.190 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.738 0.425 -9.052 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.626 1.679 -9.649 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.766 0.130 -10.513 1.00 0.00 H new ATOM 404 N LEU A 30 -14.006 -0.968 -8.723 1.00 0.00 N ATOM 405 CA LEU A 30 -12.662 -0.967 -9.291 1.00 0.00 C ATOM 406 C LEU A 30 -12.712 -0.804 -10.807 1.00 0.00 C ATOM 407 O LEU A 30 -12.663 -1.786 -11.547 1.00 0.00 O ATOM 408 CB LEU A 30 -11.933 -2.262 -8.929 1.00 0.00 C ATOM 409 CG LEU A 30 -11.125 -2.238 -7.631 1.00 0.00 C ATOM 410 CD1 LEU A 30 -11.048 -3.630 -7.024 1.00 0.00 C ATOM 411 CD2 LEU A 30 -9.730 -1.685 -7.882 1.00 0.00 C ATOM 0 H LEU A 30 -14.255 -1.826 -8.232 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.117 -0.122 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.669 -3.063 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.260 -2.517 -9.748 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.632 -1.583 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.469 -3.593 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.054 -3.989 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.565 -4.308 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.169 -1.675 -6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.215 -2.314 -8.608 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.806 -0.669 -8.270 1.00 0.00 H new ATOM 423 N GLN A 31 -12.808 0.441 -11.260 1.00 0.00 N ATOM 424 CA GLN A 31 -12.863 0.732 -12.688 1.00 0.00 C ATOM 425 C GLN A 31 -11.672 0.116 -13.415 1.00 0.00 C ATOM 426 O GLN A 31 -11.819 -0.464 -14.490 1.00 0.00 O ATOM 427 CB GLN A 31 -12.893 2.243 -12.921 1.00 0.00 C ATOM 428 CG GLN A 31 -11.704 2.975 -12.320 1.00 0.00 C ATOM 429 CD GLN A 31 -11.903 4.477 -12.279 1.00 0.00 C ATOM 430 OE1 GLN A 31 -12.965 4.984 -12.642 1.00 0.00 O ATOM 431 NE2 GLN A 31 -10.881 5.199 -11.835 1.00 0.00 N ATOM 0 H GLN A 31 -12.849 1.265 -10.660 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.776 0.292 -13.088 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.924 2.436 -13.993 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.811 2.649 -12.497 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.530 2.608 -11.309 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.810 2.747 -12.901 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.019 4.738 -11.544 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.958 6.215 -11.785 1.00 0.00 H new ATOM 440 N LYS A 32 -10.490 0.247 -12.820 1.00 0.00 N ATOM 441 CA LYS A 32 -9.273 -0.296 -13.410 1.00 0.00 C ATOM 442 C LYS A 32 -8.447 -1.039 -12.364 1.00 0.00 C ATOM 443 O LYS A 32 -7.618 -0.456 -11.664 1.00 0.00 O ATOM 444 CB LYS A 32 -8.438 0.825 -14.032 1.00 0.00 C ATOM 445 CG LYS A 32 -8.913 1.242 -15.413 1.00 0.00 C ATOM 446 CD LYS A 32 -8.299 2.566 -15.838 1.00 0.00 C ATOM 447 CE LYS A 32 -6.854 2.394 -16.279 1.00 0.00 C ATOM 448 NZ LYS A 32 -6.748 1.608 -17.539 1.00 0.00 N ATOM 0 H LYS A 32 -10.350 0.725 -11.930 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.560 -1.001 -14.190 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.460 1.692 -13.372 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.400 0.500 -14.097 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.652 0.470 -16.137 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.000 1.327 -15.415 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.881 2.993 -16.655 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.346 3.273 -15.009 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.399 3.374 -16.423 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.291 1.894 -15.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.820 1.778 -17.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.850 0.595 -17.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.500 1.901 -18.195 1.00 0.00 H new ATOM 462 N PRO A 33 -8.675 -2.356 -12.254 1.00 0.00 N ATOM 463 CA PRO A 33 -7.960 -3.206 -11.298 1.00 0.00 C ATOM 464 C PRO A 33 -6.493 -3.392 -11.671 1.00 0.00 C ATOM 465 O PRO A 33 -6.172 -3.790 -12.791 1.00 0.00 O ATOM 466 CB PRO A 33 -8.706 -4.540 -11.382 1.00 0.00 C ATOM 467 CG PRO A 33 -9.314 -4.549 -12.742 1.00 0.00 C ATOM 468 CD PRO A 33 -9.648 -3.117 -13.056 1.00 0.00 C ATOM 0 HA PRO A 33 -7.946 -2.772 -10.298 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.028 -5.382 -11.246 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.469 -4.617 -10.607 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.620 -4.958 -13.477 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.208 -5.172 -12.766 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.545 -2.904 -14.120 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.674 -2.874 -12.780 1.00 0.00 H new ATOM 476 N VAL A 34 -5.605 -3.101 -10.726 1.00 0.00 N ATOM 477 CA VAL A 34 -4.172 -3.238 -10.955 1.00 0.00 C ATOM 478 C VAL A 34 -3.577 -4.335 -10.079 1.00 0.00 C ATOM 479 O VAL A 34 -3.580 -4.236 -8.851 1.00 0.00 O ATOM 480 CB VAL A 34 -3.430 -1.916 -10.677 1.00 0.00 C ATOM 481 CG1 VAL A 34 -1.931 -2.098 -10.853 1.00 0.00 C ATOM 482 CG2 VAL A 34 -3.952 -0.813 -11.585 1.00 0.00 C ATOM 0 H VAL A 34 -5.853 -2.769 -9.794 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.044 -3.505 -12.004 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.617 -1.624 -9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.424 -1.154 -10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.573 -2.857 -10.158 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.720 -2.413 -11.875 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.418 0.114 -11.376 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.796 -1.095 -12.626 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.017 -0.666 -11.404 1.00 0.00 H new ATOM 492 N THR A 35 -3.066 -5.383 -10.718 1.00 0.00 N ATOM 493 CA THR A 35 -2.469 -6.500 -9.998 1.00 0.00 C ATOM 494 C THR A 35 -0.995 -6.240 -9.705 1.00 0.00 C ATOM 495 O THR A 35 -0.137 -6.439 -10.565 1.00 0.00 O ATOM 496 CB THR A 35 -2.598 -7.814 -10.791 1.00 0.00 C ATOM 497 OG1 THR A 35 -3.927 -7.945 -11.308 1.00 0.00 O ATOM 498 CG2 THR A 35 -2.270 -9.012 -9.913 1.00 0.00 C ATOM 0 H THR A 35 -3.054 -5.481 -11.733 1.00 0.00 H new ATOM 0 HA THR A 35 -3.013 -6.597 -9.058 1.00 0.00 H new ATOM 0 HB THR A 35 -1.888 -7.785 -11.617 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.563 -7.538 -10.683 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.368 -9.928 -10.496 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.248 -8.924 -9.545 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.958 -9.044 -9.069 1.00 0.00 H new ATOM 506 N ILE A 36 -0.709 -5.796 -8.486 1.00 0.00 N ATOM 507 CA ILE A 36 0.661 -5.511 -8.079 1.00 0.00 C ATOM 508 C ILE A 36 1.437 -6.798 -7.819 1.00 0.00 C ATOM 509 O ILE A 36 0.888 -7.895 -7.917 1.00 0.00 O ATOM 510 CB ILE A 36 0.703 -4.635 -6.813 1.00 0.00 C ATOM 511 CG1 ILE A 36 -0.113 -5.282 -5.692 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.180 -3.239 -7.117 1.00 0.00 C ATOM 513 CD1 ILE A 36 0.130 -4.664 -4.333 1.00 0.00 C ATOM 0 H ILE A 36 -1.408 -5.626 -7.763 1.00 0.00 H new ATOM 0 HA ILE A 36 1.127 -4.968 -8.901 1.00 0.00 H new ATOM 0 HB ILE A 36 1.738 -4.550 -6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.173 -5.203 -5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.126 -6.345 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.216 -2.632 -6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.798 -2.779 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.850 -3.305 -7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.481 -5.172 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.183 -4.766 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.136 -3.607 -4.361 1.00 0.00 H new ATOM 525 N ASP A 37 2.715 -6.655 -7.487 1.00 0.00 N ATOM 526 CA ASP A 37 3.566 -7.806 -7.209 1.00 0.00 C ATOM 527 C ASP A 37 2.901 -8.744 -6.207 1.00 0.00 C ATOM 528 O ASP A 37 2.930 -9.965 -6.370 1.00 0.00 O ATOM 529 CB ASP A 37 4.923 -7.346 -6.673 1.00 0.00 C ATOM 530 CG ASP A 37 5.822 -8.509 -6.301 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.830 -9.513 -7.042 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.517 -8.414 -5.267 1.00 0.00 O ATOM 0 H ASP A 37 3.185 -5.753 -7.404 1.00 0.00 H new ATOM 0 HA ASP A 37 3.717 -8.349 -8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.419 -6.733 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.770 -6.714 -5.798 1.00 0.00 H new ATOM 537 N CYS A 38 2.303 -8.167 -5.170 1.00 0.00 N ATOM 538 CA CYS A 38 1.632 -8.951 -4.140 1.00 0.00 C ATOM 539 C CYS A 38 0.451 -9.719 -4.725 1.00 0.00 C ATOM 540 O CYS A 38 0.099 -10.797 -4.246 1.00 0.00 O ATOM 541 CB CYS A 38 1.153 -8.040 -3.008 1.00 0.00 C ATOM 542 SG CYS A 38 -0.527 -7.378 -3.247 1.00 0.00 S ATOM 0 H CYS A 38 2.269 -7.159 -5.021 1.00 0.00 H new ATOM 0 HA CYS A 38 2.348 -9.670 -3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.183 -8.596 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.849 -7.207 -2.907 1.00 0.00 H new ATOM 547 N GLY A 39 -0.159 -9.156 -5.764 1.00 0.00 N ATOM 548 CA GLY A 39 -1.294 -9.801 -6.397 1.00 0.00 C ATOM 549 C GLY A 39 -2.593 -9.058 -6.154 1.00 0.00 C ATOM 550 O GLY A 39 -3.349 -8.793 -7.089 1.00 0.00 O ATOM 0 H GLY A 39 0.113 -8.265 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.115 -9.873 -7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.386 -10.820 -6.020 1.00 0.00 H new ATOM 554 N HIS A 40 -2.854 -8.721 -4.895 1.00 0.00 N ATOM 555 CA HIS A 40 -4.072 -8.005 -4.532 1.00 0.00 C ATOM 556 C HIS A 40 -4.407 -6.941 -5.573 1.00 0.00 C ATOM 557 O HIS A 40 -3.515 -6.341 -6.171 1.00 0.00 O ATOM 558 CB HIS A 40 -3.917 -7.357 -3.156 1.00 0.00 C ATOM 559 CG HIS A 40 -3.759 -8.347 -2.042 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.074 -8.068 -0.879 1.00 0.00 N ATOM 561 CD2 HIS A 40 -4.204 -9.619 -1.919 1.00 0.00 C ATOM 562 CE1 HIS A 40 -3.103 -9.126 -0.089 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.783 -10.081 -0.697 1.00 0.00 N ATOM 0 H HIS A 40 -2.239 -8.932 -4.109 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.890 -8.724 -4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.050 -6.697 -3.170 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.789 -6.734 -2.957 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.783 -10.168 -2.647 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.648 -9.198 0.888 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.966 -11.011 -0.320 1.00 0.00 H new ATOM 571 N ASN A 41 -5.699 -6.713 -5.784 1.00 0.00 N ATOM 572 CA ASN A 41 -6.152 -5.722 -6.754 1.00 0.00 C ATOM 573 C ASN A 41 -6.684 -4.477 -6.051 1.00 0.00 C ATOM 574 O ASN A 41 -7.521 -4.567 -5.152 1.00 0.00 O ATOM 575 CB ASN A 41 -7.238 -6.317 -7.653 1.00 0.00 C ATOM 576 CG ASN A 41 -6.671 -7.259 -8.698 1.00 0.00 C ATOM 577 OD1 ASN A 41 -6.456 -6.871 -9.846 1.00 0.00 O ATOM 578 ND2 ASN A 41 -6.428 -8.503 -8.304 1.00 0.00 N ATOM 0 H ASN A 41 -6.451 -7.201 -5.297 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.299 -5.434 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.961 -6.853 -7.038 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.777 -5.510 -8.149 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.047 -9.182 -8.963 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.622 -8.780 -7.342 1.00 0.00 H new ATOM 585 N PHE A 42 -6.193 -3.314 -6.468 1.00 0.00 N ATOM 586 CA PHE A 42 -6.619 -2.050 -5.879 1.00 0.00 C ATOM 587 C PHE A 42 -7.041 -1.060 -6.961 1.00 0.00 C ATOM 588 O PHE A 42 -6.922 -1.340 -8.154 1.00 0.00 O ATOM 589 CB PHE A 42 -5.491 -1.451 -5.036 1.00 0.00 C ATOM 590 CG PHE A 42 -5.115 -2.294 -3.851 1.00 0.00 C ATOM 591 CD1 PHE A 42 -5.918 -2.322 -2.722 1.00 0.00 C ATOM 592 CD2 PHE A 42 -3.959 -3.057 -3.866 1.00 0.00 C ATOM 593 CE1 PHE A 42 -5.576 -3.097 -1.630 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.612 -3.834 -2.777 1.00 0.00 C ATOM 595 CZ PHE A 42 -4.420 -3.853 -1.657 1.00 0.00 C ATOM 0 H PHE A 42 -5.500 -3.221 -7.211 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.478 -2.248 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.612 -1.311 -5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.794 -0.463 -4.688 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.822 -1.731 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.322 -3.045 -4.738 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.211 -3.112 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.709 -4.426 -2.802 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.149 -4.458 -0.804 1.00 0.00 H new ATOM 605 N CYS A 43 -7.535 0.097 -6.535 1.00 0.00 N ATOM 606 CA CYS A 43 -7.977 1.129 -7.466 1.00 0.00 C ATOM 607 C CYS A 43 -6.923 2.224 -7.603 1.00 0.00 C ATOM 608 O CYS A 43 -6.368 2.695 -6.610 1.00 0.00 O ATOM 609 CB CYS A 43 -9.301 1.736 -6.996 1.00 0.00 C ATOM 610 SG CYS A 43 -9.111 3.210 -5.943 1.00 0.00 S ATOM 0 H CYS A 43 -7.640 0.344 -5.551 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.124 0.665 -8.442 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.897 2.001 -7.869 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.860 0.979 -6.446 1.00 0.00 H new ATOM 615 N LEU A 44 -6.653 2.625 -8.841 1.00 0.00 N ATOM 616 CA LEU A 44 -5.667 3.666 -9.110 1.00 0.00 C ATOM 617 C LEU A 44 -5.798 4.812 -8.112 1.00 0.00 C ATOM 618 O LEU A 44 -4.866 5.109 -7.365 1.00 0.00 O ATOM 619 CB LEU A 44 -5.830 4.194 -10.536 1.00 0.00 C ATOM 620 CG LEU A 44 -4.774 5.196 -11.005 1.00 0.00 C ATOM 621 CD1 LEU A 44 -3.434 4.505 -11.204 1.00 0.00 C ATOM 622 CD2 LEU A 44 -5.220 5.878 -12.290 1.00 0.00 C ATOM 0 H LEU A 44 -7.103 2.245 -9.674 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.675 3.228 -9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.825 3.345 -11.219 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.810 4.664 -10.618 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.656 5.958 -10.235 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.695 5.233 -11.538 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.109 4.064 -10.262 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.536 3.722 -11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.457 6.588 -12.609 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.367 5.129 -13.068 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.157 6.407 -12.115 1.00 0.00 H new ATOM 634 N LYS A 45 -6.963 5.451 -8.103 1.00 0.00 N ATOM 635 CA LYS A 45 -7.219 6.563 -7.195 1.00 0.00 C ATOM 636 C LYS A 45 -6.584 6.309 -5.832 1.00 0.00 C ATOM 637 O LYS A 45 -6.165 7.243 -5.148 1.00 0.00 O ATOM 638 CB LYS A 45 -8.725 6.781 -7.036 1.00 0.00 C ATOM 639 CG LYS A 45 -9.463 6.923 -8.356 1.00 0.00 C ATOM 640 CD LYS A 45 -10.746 7.721 -8.195 1.00 0.00 C ATOM 641 CE LYS A 45 -10.459 9.196 -7.961 1.00 0.00 C ATOM 642 NZ LYS A 45 -11.630 10.050 -8.303 1.00 0.00 N ATOM 0 H LYS A 45 -7.745 5.218 -8.715 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.772 7.460 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.148 5.943 -6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.893 7.677 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.817 7.414 -9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.696 5.934 -8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.362 7.606 -9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.320 7.324 -7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.188 9.352 -6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.601 9.499 -8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.394 11.048 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.873 9.921 -9.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.442 9.779 -7.712 1.00 0.00 H new ATOM 656 N CYS A 46 -6.515 5.040 -5.443 1.00 0.00 N ATOM 657 CA CYS A 46 -5.930 4.663 -4.162 1.00 0.00 C ATOM 658 C CYS A 46 -4.437 4.385 -4.307 1.00 0.00 C ATOM 659 O CYS A 46 -3.603 5.127 -3.786 1.00 0.00 O ATOM 660 CB CYS A 46 -6.638 3.430 -3.598 1.00 0.00 C ATOM 661 SG CYS A 46 -8.047 3.814 -2.510 1.00 0.00 S ATOM 0 H CYS A 46 -6.857 4.255 -5.997 1.00 0.00 H new ATOM 0 HA CYS A 46 -6.061 5.496 -3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.990 2.815 -4.427 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.916 2.832 -3.042 1.00 0.00 H new ATOM 666 N ILE A 47 -4.107 3.312 -5.018 1.00 0.00 N ATOM 667 CA ILE A 47 -2.715 2.936 -5.232 1.00 0.00 C ATOM 668 C ILE A 47 -1.842 4.166 -5.457 1.00 0.00 C ATOM 669 O ILE A 47 -0.743 4.270 -4.911 1.00 0.00 O ATOM 670 CB ILE A 47 -2.567 1.989 -6.437 1.00 0.00 C ATOM 671 CG1 ILE A 47 -3.335 0.689 -6.189 1.00 0.00 C ATOM 672 CG2 ILE A 47 -1.097 1.699 -6.705 1.00 0.00 C ATOM 673 CD1 ILE A 47 -3.458 -0.184 -7.418 1.00 0.00 C ATOM 0 H ILE A 47 -4.785 2.688 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.386 2.419 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.988 2.476 -7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.835 0.125 -5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.333 0.930 -5.823 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.008 1.028 -7.560 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.575 2.632 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.653 1.229 -5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.014 -1.088 -7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.985 0.362 -8.201 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.464 -0.456 -7.772 1.00 0.00 H new ATOM 685 N THR A 48 -2.339 5.099 -6.263 1.00 0.00 N ATOM 686 CA THR A 48 -1.606 6.323 -6.559 1.00 0.00 C ATOM 687 C THR A 48 -1.476 7.200 -5.320 1.00 0.00 C ATOM 688 O THR A 48 -0.389 7.677 -4.997 1.00 0.00 O ATOM 689 CB THR A 48 -2.291 7.132 -7.677 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.335 6.361 -8.883 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.553 8.438 -7.930 1.00 0.00 C ATOM 0 H THR A 48 -3.247 5.030 -6.723 1.00 0.00 H new ATOM 0 HA THR A 48 -0.613 6.023 -6.894 1.00 0.00 H new ATOM 0 HB THR A 48 -3.307 7.364 -7.357 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.773 6.881 -9.588 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.055 8.992 -8.723 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.547 9.035 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.527 8.224 -8.230 1.00 0.00 H new ATOM 699 N GLN A 49 -2.592 7.409 -4.629 1.00 0.00 N ATOM 700 CA GLN A 49 -2.602 8.229 -3.423 1.00 0.00 C ATOM 701 C GLN A 49 -1.624 7.686 -2.387 1.00 0.00 C ATOM 702 O GLN A 49 -0.893 8.446 -1.751 1.00 0.00 O ATOM 703 CB GLN A 49 -4.011 8.288 -2.831 1.00 0.00 C ATOM 704 CG GLN A 49 -4.258 9.513 -1.966 1.00 0.00 C ATOM 705 CD GLN A 49 -3.088 9.830 -1.056 1.00 0.00 C ATOM 706 OE1 GLN A 49 -2.328 10.766 -1.306 1.00 0.00 O ATOM 707 NE2 GLN A 49 -2.936 9.050 0.007 1.00 0.00 N ATOM 0 H GLN A 49 -3.501 7.022 -4.883 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.289 9.237 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.738 8.275 -3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.183 7.392 -2.235 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.458 10.372 -2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.151 9.352 -1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.589 8.285 0.176 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.166 9.215 0.655 1.00 0.00 H new ATOM 716 N ILE A 50 -1.618 6.368 -2.221 1.00 0.00 N ATOM 717 CA ILE A 50 -0.729 5.723 -1.262 1.00 0.00 C ATOM 718 C ILE A 50 0.732 5.895 -1.664 1.00 0.00 C ATOM 719 O ILE A 50 1.555 6.353 -0.873 1.00 0.00 O ATOM 720 CB ILE A 50 -1.040 4.220 -1.129 1.00 0.00 C ATOM 721 CG1 ILE A 50 -2.524 4.010 -0.820 1.00 0.00 C ATOM 722 CG2 ILE A 50 -0.174 3.595 -0.045 1.00 0.00 C ATOM 723 CD1 ILE A 50 -3.074 2.707 -1.357 1.00 0.00 C ATOM 0 H ILE A 50 -2.219 5.726 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.898 6.207 -0.300 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.813 3.731 -2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.670 4.039 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.095 4.837 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.405 2.533 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.878 3.719 -0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.374 4.085 0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.130 2.625 -1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.960 2.683 -2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.528 1.873 -0.917 1.00 0.00 H new ATOM 735 N GLY A 51 1.047 5.525 -2.902 1.00 0.00 N ATOM 736 CA GLY A 51 2.408 5.647 -3.389 1.00 0.00 C ATOM 737 C GLY A 51 2.758 7.069 -3.782 1.00 0.00 C ATOM 738 O GLY A 51 1.875 7.867 -4.096 1.00 0.00 O ATOM 0 H GLY A 51 0.383 5.143 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.099 5.306 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.543 4.992 -4.250 1.00 0.00 H new ATOM 742 N GLU A 52 4.049 7.386 -3.764 1.00 0.00 N ATOM 743 CA GLU A 52 4.511 8.722 -4.119 1.00 0.00 C ATOM 744 C GLU A 52 4.960 8.774 -5.576 1.00 0.00 C ATOM 745 O GLU A 52 5.738 7.934 -6.029 1.00 0.00 O ATOM 746 CB GLU A 52 5.662 9.147 -3.204 1.00 0.00 C ATOM 747 CG GLU A 52 6.570 10.200 -3.818 1.00 0.00 C ATOM 748 CD GLU A 52 5.900 11.556 -3.927 1.00 0.00 C ATOM 749 OE1 GLU A 52 5.949 12.322 -2.942 1.00 0.00 O ATOM 750 OE2 GLU A 52 5.327 11.851 -4.996 1.00 0.00 O ATOM 0 H GLU A 52 4.792 6.736 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 52 3.678 9.413 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.250 9.533 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.257 8.269 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.473 10.292 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.882 9.872 -4.810 1.00 0.00 H new ATOM 757 N THR A 53 4.462 9.766 -6.308 1.00 0.00 N ATOM 758 CA THR A 53 4.808 9.927 -7.714 1.00 0.00 C ATOM 759 C THR A 53 6.314 9.821 -7.925 1.00 0.00 C ATOM 760 O THR A 53 6.779 9.097 -8.805 1.00 0.00 O ATOM 761 CB THR A 53 4.318 11.280 -8.263 1.00 0.00 C ATOM 762 OG1 THR A 53 2.936 11.469 -7.937 1.00 0.00 O ATOM 763 CG2 THR A 53 4.504 11.352 -9.771 1.00 0.00 C ATOM 0 H THR A 53 3.817 10.470 -5.949 1.00 0.00 H new ATOM 0 HA THR A 53 4.310 9.123 -8.256 1.00 0.00 H new ATOM 0 HB THR A 53 4.911 12.070 -7.803 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.632 12.332 -8.288 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.151 12.317 -10.136 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.561 11.237 -10.013 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.934 10.554 -10.246 1.00 0.00 H new ATOM 771 N SER A 54 7.073 10.548 -7.111 1.00 0.00 N ATOM 772 CA SER A 54 8.528 10.539 -7.210 1.00 0.00 C ATOM 773 C SER A 54 9.062 9.110 -7.224 1.00 0.00 C ATOM 774 O SER A 54 9.701 8.683 -8.187 1.00 0.00 O ATOM 775 CB SER A 54 9.145 11.315 -6.045 1.00 0.00 C ATOM 776 OG SER A 54 9.035 12.713 -6.248 1.00 0.00 O ATOM 0 H SER A 54 6.704 11.151 -6.375 1.00 0.00 H new ATOM 0 HA SER A 54 8.807 11.022 -8.146 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.647 11.039 -5.116 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.195 11.042 -5.937 1.00 0.00 H new ATOM 0 HG SER A 54 9.435 13.186 -5.489 1.00 0.00 H new ATOM 782 N CYS A 55 8.796 8.375 -6.150 1.00 0.00 N ATOM 783 CA CYS A 55 9.250 6.993 -6.037 1.00 0.00 C ATOM 784 C CYS A 55 8.080 6.058 -5.754 1.00 0.00 C ATOM 785 O CYS A 55 7.215 6.359 -4.932 1.00 0.00 O ATOM 786 CB CYS A 55 10.298 6.868 -4.930 1.00 0.00 C ATOM 787 SG CYS A 55 9.661 7.197 -3.270 1.00 0.00 S ATOM 0 H CYS A 55 8.268 8.713 -5.345 1.00 0.00 H new ATOM 0 HA CYS A 55 9.700 6.705 -6.987 1.00 0.00 H new ATOM 0 HB2 CYS A 55 10.718 5.862 -4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.115 7.559 -5.138 1.00 0.00 H new ATOM 0 HG CYS A 55 8.377 6.993 -3.249 1.00 0.00 H new ATOM 793 N GLY A 56 8.058 4.920 -6.442 1.00 0.00 N ATOM 794 CA GLY A 56 6.987 3.959 -6.252 1.00 0.00 C ATOM 795 C GLY A 56 7.256 3.014 -5.098 1.00 0.00 C ATOM 796 O GLY A 56 7.295 1.796 -5.279 1.00 0.00 O ATOM 0 H GLY A 56 8.762 4.647 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.053 4.491 -6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.854 3.382 -7.167 1.00 0.00 H new ATOM 800 N PHE A 57 7.442 3.574 -3.908 1.00 0.00 N ATOM 801 CA PHE A 57 7.710 2.773 -2.719 1.00 0.00 C ATOM 802 C PHE A 57 6.517 2.793 -1.768 1.00 0.00 C ATOM 803 O PHE A 57 6.452 3.614 -0.853 1.00 0.00 O ATOM 804 CB PHE A 57 8.958 3.290 -2.001 1.00 0.00 C ATOM 805 CG PHE A 57 10.244 2.849 -2.639 1.00 0.00 C ATOM 806 CD1 PHE A 57 10.493 3.108 -3.977 1.00 0.00 C ATOM 807 CD2 PHE A 57 11.204 2.176 -1.901 1.00 0.00 C ATOM 808 CE1 PHE A 57 11.675 2.702 -4.567 1.00 0.00 C ATOM 809 CE2 PHE A 57 12.388 1.768 -2.486 1.00 0.00 C ATOM 810 CZ PHE A 57 12.624 2.032 -3.821 1.00 0.00 C ATOM 0 H PHE A 57 7.412 4.580 -3.741 1.00 0.00 H new ATOM 0 HA PHE A 57 7.881 1.744 -3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.929 4.379 -1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 57 8.940 2.948 -0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.755 3.633 -4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.025 1.968 -0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.856 2.909 -5.611 1.00 0.00 H new ATOM 0 HE2 PHE A 57 13.128 1.243 -1.900 1.00 0.00 H new ATOM 0 HZ PHE A 57 13.549 1.715 -4.280 1.00 0.00 H new ATOM 820 N PHE A 58 5.574 1.884 -1.992 1.00 0.00 N ATOM 821 CA PHE A 58 4.382 1.797 -1.157 1.00 0.00 C ATOM 822 C PHE A 58 4.033 0.342 -0.856 1.00 0.00 C ATOM 823 O PHE A 58 3.747 -0.440 -1.763 1.00 0.00 O ATOM 824 CB PHE A 58 3.201 2.485 -1.845 1.00 0.00 C ATOM 825 CG PHE A 58 2.557 1.645 -2.911 1.00 0.00 C ATOM 826 CD1 PHE A 58 3.259 1.291 -4.051 1.00 0.00 C ATOM 827 CD2 PHE A 58 1.248 1.211 -2.773 1.00 0.00 C ATOM 828 CE1 PHE A 58 2.670 0.519 -5.034 1.00 0.00 C ATOM 829 CE2 PHE A 58 0.653 0.438 -3.752 1.00 0.00 C ATOM 830 CZ PHE A 58 1.364 0.093 -4.885 1.00 0.00 C ATOM 0 H PHE A 58 5.612 1.197 -2.745 1.00 0.00 H new ATOM 0 HA PHE A 58 4.591 2.304 -0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.453 2.742 -1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.543 3.420 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.280 1.622 -4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.687 1.480 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.230 0.249 -5.917 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.367 0.104 -3.631 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.900 -0.508 -5.653 1.00 0.00 H new ATOM 840 N LYS A 59 4.060 -0.014 0.424 1.00 0.00 N ATOM 841 CA LYS A 59 3.747 -1.373 0.847 1.00 0.00 C ATOM 842 C LYS A 59 2.239 -1.607 0.852 1.00 0.00 C ATOM 843 O LYS A 59 1.491 -0.889 1.516 1.00 0.00 O ATOM 844 CB LYS A 59 4.320 -1.640 2.241 1.00 0.00 C ATOM 845 CG LYS A 59 3.745 -0.737 3.318 1.00 0.00 C ATOM 846 CD LYS A 59 4.353 -1.036 4.678 1.00 0.00 C ATOM 847 CE LYS A 59 3.523 -0.437 5.803 1.00 0.00 C ATOM 848 NZ LYS A 59 3.675 1.043 5.877 1.00 0.00 N ATOM 0 H LYS A 59 4.296 0.621 1.187 1.00 0.00 H new ATOM 0 HA LYS A 59 4.202 -2.062 0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.130 -2.679 2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.402 -1.512 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.929 0.305 3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.664 -0.868 3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.429 -2.115 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.367 -0.637 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.473 -0.687 5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.823 -0.881 6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.094 1.413 6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.673 1.281 6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.364 1.469 4.981 1.00 0.00 H new ATOM 862 N CYS A 60 1.800 -2.618 0.110 1.00 0.00 N ATOM 863 CA CYS A 60 0.382 -2.948 0.030 1.00 0.00 C ATOM 864 C CYS A 60 -0.279 -2.847 1.402 1.00 0.00 C ATOM 865 O CYS A 60 0.268 -3.283 2.415 1.00 0.00 O ATOM 866 CB CYS A 60 0.197 -4.358 -0.535 1.00 0.00 C ATOM 867 SG CYS A 60 -1.530 -4.939 -0.533 1.00 0.00 S ATOM 0 H CYS A 60 2.406 -3.223 -0.445 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.096 -2.230 -0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.576 -4.381 -1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.804 -5.053 0.046 1.00 0.00 H new ATOM 872 N PRO A 61 -1.483 -2.258 1.436 1.00 0.00 N ATOM 873 CA PRO A 61 -2.245 -2.086 2.677 1.00 0.00 C ATOM 874 C PRO A 61 -2.768 -3.410 3.224 1.00 0.00 C ATOM 875 O PRO A 61 -2.871 -3.594 4.438 1.00 0.00 O ATOM 876 CB PRO A 61 -3.409 -1.185 2.256 1.00 0.00 C ATOM 877 CG PRO A 61 -3.574 -1.435 0.797 1.00 0.00 C ATOM 878 CD PRO A 61 -2.195 -1.716 0.267 1.00 0.00 C ATOM 0 HA PRO A 61 -1.633 -1.670 3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.318 -1.431 2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.190 -0.136 2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.240 -2.279 0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.014 -0.571 0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.219 -2.431 -0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.718 -0.812 -0.110 1.00 0.00 H new ATOM 886 N LEU A 62 -3.096 -4.330 2.323 1.00 0.00 N ATOM 887 CA LEU A 62 -3.607 -5.638 2.716 1.00 0.00 C ATOM 888 C LEU A 62 -2.485 -6.526 3.243 1.00 0.00 C ATOM 889 O LEU A 62 -2.659 -7.249 4.225 1.00 0.00 O ATOM 890 CB LEU A 62 -4.295 -6.316 1.529 1.00 0.00 C ATOM 891 CG LEU A 62 -5.611 -5.689 1.068 1.00 0.00 C ATOM 892 CD1 LEU A 62 -6.080 -6.327 -0.230 1.00 0.00 C ATOM 893 CD2 LEU A 62 -6.674 -5.827 2.148 1.00 0.00 C ATOM 0 H LEU A 62 -3.017 -4.194 1.315 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.334 -5.491 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.603 -6.319 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.484 -7.357 1.790 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.442 -4.628 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.018 -5.868 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.326 -6.176 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.232 -7.395 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.604 -5.375 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.841 -6.883 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.340 -5.322 3.054 1.00 0.00 H new ATOM 905 N CYS A 63 -1.331 -6.465 2.586 1.00 0.00 N ATOM 906 CA CYS A 63 -0.178 -7.261 2.989 1.00 0.00 C ATOM 907 C CYS A 63 1.089 -6.412 3.009 1.00 0.00 C ATOM 908 O CYS A 63 1.233 -5.472 2.227 1.00 0.00 O ATOM 909 CB CYS A 63 0.004 -8.448 2.041 1.00 0.00 C ATOM 910 SG CYS A 63 0.401 -7.976 0.327 1.00 0.00 S ATOM 0 H CYS A 63 -1.170 -5.872 1.772 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.359 -7.634 3.997 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.800 -9.087 2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.910 -9.042 2.041 1.00 0.00 H new ATOM 915 N LYS A 64 2.007 -6.750 3.908 1.00 0.00 N ATOM 916 CA LYS A 64 3.264 -6.022 4.030 1.00 0.00 C ATOM 917 C LYS A 64 4.344 -6.648 3.152 1.00 0.00 C ATOM 918 O LYS A 64 5.448 -6.934 3.616 1.00 0.00 O ATOM 919 CB LYS A 64 3.727 -6.002 5.488 1.00 0.00 C ATOM 920 CG LYS A 64 3.134 -4.863 6.299 1.00 0.00 C ATOM 921 CD LYS A 64 3.922 -4.617 7.575 1.00 0.00 C ATOM 922 CE LYS A 64 3.431 -5.500 8.712 1.00 0.00 C ATOM 923 NZ LYS A 64 4.058 -5.131 10.011 1.00 0.00 N ATOM 0 H LYS A 64 1.904 -7.525 4.564 1.00 0.00 H new ATOM 0 HA LYS A 64 3.095 -4.999 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.461 -6.949 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.814 -5.928 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.122 -3.954 5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.098 -5.094 6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.979 -4.810 7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.834 -3.569 7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.347 -5.416 8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.654 -6.542 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.698 -5.756 10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.090 -5.235 9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.825 -4.144 10.241 1.00 0.00 H new ATOM 937 N THR A 65 4.018 -6.856 1.880 1.00 0.00 N ATOM 938 CA THR A 65 4.959 -7.448 0.937 1.00 0.00 C ATOM 939 C THR A 65 5.587 -6.382 0.045 1.00 0.00 C ATOM 940 O THR A 65 4.887 -5.673 -0.677 1.00 0.00 O ATOM 941 CB THR A 65 4.276 -8.506 0.051 1.00 0.00 C ATOM 942 OG1 THR A 65 3.581 -9.455 0.867 1.00 0.00 O ATOM 943 CG2 THR A 65 5.298 -9.228 -0.815 1.00 0.00 C ATOM 0 H THR A 65 3.109 -6.623 1.479 1.00 0.00 H new ATOM 0 HA THR A 65 5.739 -7.929 1.528 1.00 0.00 H new ATOM 0 HB THR A 65 3.565 -7.997 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.627 -9.231 0.889 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.792 -9.971 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.805 -8.507 -1.457 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.030 -9.724 -0.177 1.00 0.00 H new ATOM 951 N SER A 66 6.910 -6.275 0.101 1.00 0.00 N ATOM 952 CA SER A 66 7.632 -5.294 -0.700 1.00 0.00 C ATOM 953 C SER A 66 7.302 -5.452 -2.181 1.00 0.00 C ATOM 954 O SER A 66 7.810 -6.352 -2.850 1.00 0.00 O ATOM 955 CB SER A 66 9.140 -5.437 -0.484 1.00 0.00 C ATOM 956 OG SER A 66 9.573 -6.756 -0.770 1.00 0.00 O ATOM 0 H SER A 66 7.504 -6.856 0.693 1.00 0.00 H new ATOM 0 HA SER A 66 7.319 -4.300 -0.380 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.671 -4.730 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.389 -5.185 0.547 1.00 0.00 H new ATOM 0 HG SER A 66 9.135 -7.074 -1.587 1.00 0.00 H new ATOM 962 N VAL A 67 6.446 -4.570 -2.687 1.00 0.00 N ATOM 963 CA VAL A 67 6.047 -4.610 -4.089 1.00 0.00 C ATOM 964 C VAL A 67 7.143 -4.050 -4.989 1.00 0.00 C ATOM 965 O VAL A 67 7.277 -4.452 -6.145 1.00 0.00 O ATOM 966 CB VAL A 67 4.749 -3.815 -4.326 1.00 0.00 C ATOM 967 CG1 VAL A 67 3.582 -4.472 -3.605 1.00 0.00 C ATOM 968 CG2 VAL A 67 4.919 -2.372 -3.879 1.00 0.00 C ATOM 0 H VAL A 67 6.016 -3.819 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 67 5.875 -5.657 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 67 4.532 -3.816 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.674 -3.897 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.448 -5.487 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.787 -4.504 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.992 -1.825 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.160 -2.346 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.726 -1.908 -4.446 1.00 0.00 H new ATOM 978 N ARG A 68 7.926 -3.121 -4.450 1.00 0.00 N ATOM 979 CA ARG A 68 9.011 -2.505 -5.205 1.00 0.00 C ATOM 980 C ARG A 68 8.616 -2.311 -6.666 1.00 0.00 C ATOM 981 O ARG A 68 9.356 -2.685 -7.576 1.00 0.00 O ATOM 982 CB ARG A 68 10.273 -3.364 -5.116 1.00 0.00 C ATOM 983 CG ARG A 68 11.171 -3.008 -3.943 1.00 0.00 C ATOM 984 CD ARG A 68 12.614 -3.412 -4.203 1.00 0.00 C ATOM 985 NE ARG A 68 12.863 -4.808 -3.857 1.00 0.00 N ATOM 986 CZ ARG A 68 13.873 -5.518 -4.346 1.00 0.00 C ATOM 987 NH1 ARG A 68 14.725 -4.965 -5.199 1.00 0.00 N ATOM 988 NH2 ARG A 68 14.034 -6.785 -3.983 1.00 0.00 N ATOM 0 H ARG A 68 7.829 -2.779 -3.494 1.00 0.00 H new ATOM 0 HA ARG A 68 9.214 -1.527 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.984 -4.412 -5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.840 -3.259 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.120 -1.935 -3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.809 -3.505 -3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.851 -3.252 -5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.280 -2.771 -3.625 1.00 0.00 H new ATOM 0 HE ARG A 68 12.226 -5.263 -3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.605 -3.992 -5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.500 -5.513 -5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.381 -7.215 -3.327 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.810 -7.329 -4.360 1.00 0.00 H new ATOM 1002 N LYS A 69 7.443 -1.725 -6.883 1.00 0.00 N ATOM 1003 CA LYS A 69 6.948 -1.480 -8.233 1.00 0.00 C ATOM 1004 C LYS A 69 7.862 -0.514 -8.980 1.00 0.00 C ATOM 1005 O LYS A 69 7.857 -0.466 -10.210 1.00 0.00 O ATOM 1006 CB LYS A 69 5.526 -0.918 -8.183 1.00 0.00 C ATOM 1007 CG LYS A 69 5.462 0.535 -7.745 1.00 0.00 C ATOM 1008 CD LYS A 69 4.288 1.259 -8.385 1.00 0.00 C ATOM 1009 CE LYS A 69 4.552 2.752 -8.504 1.00 0.00 C ATOM 1010 NZ LYS A 69 5.603 3.051 -9.515 1.00 0.00 N ATOM 0 H LYS A 69 6.817 -1.411 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 69 6.938 -2.430 -8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.072 -1.012 -9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.929 -1.522 -7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.374 0.585 -6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.391 1.038 -8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.097 0.842 -9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.389 1.094 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.629 3.263 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.859 3.145 -7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.258 3.764 -9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.129 2.181 -9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.158 3.417 -10.381 1.00 0.00 H new ATOM 1024 N ASN A 70 8.646 0.253 -8.230 1.00 0.00 N ATOM 1025 CA ASN A 70 9.566 1.217 -8.822 1.00 0.00 C ATOM 1026 C ASN A 70 10.882 0.547 -9.207 1.00 0.00 C ATOM 1027 O ASN A 70 11.312 -0.413 -8.569 1.00 0.00 O ATOM 1028 CB ASN A 70 9.832 2.365 -7.847 1.00 0.00 C ATOM 1029 CG ASN A 70 10.826 3.371 -8.395 1.00 0.00 C ATOM 1030 OD1 ASN A 70 11.931 3.517 -7.871 1.00 0.00 O ATOM 1031 ND2 ASN A 70 10.437 4.070 -9.455 1.00 0.00 N ATOM 0 H ASN A 70 8.663 0.226 -7.211 1.00 0.00 H new ATOM 0 HA ASN A 70 9.104 1.616 -9.725 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.893 2.871 -7.622 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.209 1.960 -6.908 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.063 4.761 -9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.512 3.916 -9.856 1.00 0.00 H new ATOM 1038 N ALA A 71 11.517 1.062 -10.255 1.00 0.00 N ATOM 1039 CA ALA A 71 12.785 0.516 -10.724 1.00 0.00 C ATOM 1040 C ALA A 71 13.448 1.452 -11.728 1.00 0.00 C ATOM 1041 O ALA A 71 12.796 1.962 -12.640 1.00 0.00 O ATOM 1042 CB ALA A 71 12.572 -0.858 -11.341 1.00 0.00 C ATOM 0 H ALA A 71 11.174 1.856 -10.795 1.00 0.00 H new ATOM 0 HA ALA A 71 13.449 0.417 -9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.527 -1.254 -11.687 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.150 -1.531 -10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.887 -0.776 -12.184 1.00 0.00 H new ATOM 1048 N ILE A 72 14.746 1.675 -11.555 1.00 0.00 N ATOM 1049 CA ILE A 72 15.496 2.550 -12.447 1.00 0.00 C ATOM 1050 C ILE A 72 15.934 1.808 -13.705 1.00 0.00 C ATOM 1051 O ILE A 72 16.486 0.710 -13.630 1.00 0.00 O ATOM 1052 CB ILE A 72 16.740 3.133 -11.749 1.00 0.00 C ATOM 1053 CG1 ILE A 72 17.396 4.196 -12.633 1.00 0.00 C ATOM 1054 CG2 ILE A 72 17.729 2.026 -11.419 1.00 0.00 C ATOM 1055 CD1 ILE A 72 18.340 5.108 -11.882 1.00 0.00 C ATOM 0 H ILE A 72 15.300 1.262 -10.805 1.00 0.00 H new ATOM 0 HA ILE A 72 14.828 3.366 -12.723 1.00 0.00 H new ATOM 0 HB ILE A 72 16.429 3.605 -10.817 1.00 0.00 H new ATOM 0 HG12 ILE A 72 17.943 3.702 -13.436 1.00 0.00 H new ATOM 0 HG13 ILE A 72 16.618 4.798 -13.101 1.00 0.00 H new ATOM 0 HG21 ILE A 72 18.602 2.453 -10.926 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.256 1.302 -10.756 1.00 0.00 H new ATOM 0 HG23 ILE A 72 18.038 1.528 -12.338 1.00 0.00 H new ATOM 0 HD11 ILE A 72 18.768 5.836 -12.571 1.00 0.00 H new ATOM 0 HD12 ILE A 72 17.794 5.630 -11.096 1.00 0.00 H new ATOM 0 HD13 ILE A 72 19.140 4.516 -11.436 1.00 0.00 H new ATOM 1067 N ARG A 73 15.687 2.416 -14.860 1.00 0.00 N ATOM 1068 CA ARG A 73 16.056 1.813 -16.135 1.00 0.00 C ATOM 1069 C ARG A 73 16.589 2.867 -17.101 1.00 0.00 C ATOM 1070 O ARG A 73 15.846 3.735 -17.559 1.00 0.00 O ATOM 1071 CB ARG A 73 14.852 1.100 -16.755 1.00 0.00 C ATOM 1072 CG ARG A 73 15.080 0.655 -18.190 1.00 0.00 C ATOM 1073 CD ARG A 73 13.774 0.275 -18.869 1.00 0.00 C ATOM 1074 NE ARG A 73 13.225 -0.971 -18.342 1.00 0.00 N ATOM 1075 CZ ARG A 73 11.953 -1.330 -18.478 1.00 0.00 C ATOM 1076 NH1 ARG A 73 11.104 -0.541 -19.122 1.00 0.00 N ATOM 1077 NH2 ARG A 73 11.529 -2.480 -17.971 1.00 0.00 N ATOM 0 H ARG A 73 15.233 3.326 -14.939 1.00 0.00 H new ATOM 0 HA ARG A 73 16.844 1.084 -15.948 1.00 0.00 H new ATOM 0 HB2 ARG A 73 14.605 0.229 -16.148 1.00 0.00 H new ATOM 0 HB3 ARG A 73 13.990 1.766 -16.723 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.562 1.457 -18.749 1.00 0.00 H new ATOM 0 HG3 ARG A 73 15.760 -0.197 -18.204 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.048 1.077 -18.733 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.939 0.173 -19.942 1.00 0.00 H new ATOM 0 HE ARG A 73 13.853 -1.601 -17.842 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.427 0.343 -19.514 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.128 -0.819 -19.225 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.180 -3.090 -17.476 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.552 -2.754 -18.076 1.00 0.00 H new TER 1091 ARG A 73 HETATM 1092 ZN ZN A 201 -9.563 2.687 -3.738 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 -1.241 -7.220 -1.014 1.00 0.00 ZN