USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 664 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 4 GLN : amide:sc= 0.401! C(o=-7.1!,f=-10!) USER MOD Set 1.2: A 71 GLN : amide:sc= -7.51! C(o=-7.1!,f=-10!) USER MOD Set 2.1: A 3 GLN : amide:sc= -0.424 K(o=-0.66,f=-2) USER MOD Set 2.2: A 41 LYS NZ :NH3+ -141:sc= -0.0443 (180deg=-1.37) USER MOD Set 2.3: A 66 GLN : amide:sc= -0.195 X(o=-0.66,f=-0.74) USER MOD Set 3.1: A 15 GLN : amide:sc= 0.641 K(o=-3.4,f=-4.1) USER MOD Set 3.2: A 57 THR OG1 : rot 180:sc= -4.09! USER MOD Set 4.1: A 51 MET CE :methyl -157:sc= -6.06! (180deg=-7.52!) USER MOD Set 4.2: A 52 SER OG : rot -120:sc= -3.76! USER MOD Set 5.1: A 43 ASN : amide:sc= -1.15! C(o=0.03!,f=-13!) USER MOD Set 5.2: A 46 SER OG : rot 85:sc= 1.18 USER MOD Set 6.1: A 37 LYS NZ :NH3+ 171:sc= 0.446 (180deg=0.239) USER MOD Set 6.2: A 59 THR OG1 : rot 71:sc= 0.866 USER MOD Set 7.1: A 30 THR OG1 : rot -74:sc= -1.24! USER MOD Set 7.2: A 31 SER OG : rot 99:sc= 0.289 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0.567 (180deg=0.567) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= -5.34! (180deg=-6.99!) USER MOD Single : A 12 THR OG1 : rot -80:sc= 0.721 USER MOD Single : A 24 GLN : amide:sc= -2.97! C(o=-3!,f=-4.5!) USER MOD Single : A 27 ASN :FLIP amide:sc= -3.37! C(o=-4!,f=-3.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -110:sc= -1.83 (180deg=-3.97!) USER MOD Single : A 48 MET CE :methyl -155:sc= -0.112 (180deg=-0.882) USER MOD Single : A 56 SER OG : rot 63:sc= -0.417! USER MOD Single : A 62 THR OG1 : rot 74:sc= 0.394 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= -1.45 (180deg=-1.45) USER MOD Single : A 80 TYR OH : rot -24:sc= 1.26 USER MOD Single : A 82 GLN : amide:sc= -7.62! C(o=-7.6!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -16.468 7.285 -0.714 1.00 0.00 N ATOM 2 CA VAL A 2 -17.002 5.951 -0.490 1.00 0.00 C ATOM 3 C VAL A 2 -15.910 4.923 -0.155 1.00 0.00 C ATOM 4 O VAL A 2 -15.572 4.067 -0.972 1.00 0.00 O ATOM 5 CB VAL A 2 -17.870 5.573 -1.695 1.00 0.00 C ATOM 6 CG1 VAL A 2 -17.054 5.523 -2.988 1.00 0.00 C ATOM 7 CG2 VAL A 2 -18.572 4.239 -1.454 1.00 0.00 C ATOM 0 HA VAL A 2 -17.632 5.949 0.400 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.625 6.351 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -17.705 5.252 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -16.612 6.501 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -16.262 4.780 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.183 3.988 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.827 3.459 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.207 4.316 -0.572 1.00 0.00 H new ATOM 19 N GLN A 3 -15.326 5.028 1.040 1.00 0.00 N ATOM 20 CA GLN A 3 -14.330 4.069 1.484 1.00 0.00 C ATOM 21 C GLN A 3 -14.904 3.051 2.437 1.00 0.00 C ATOM 22 O GLN A 3 -15.471 3.386 3.475 1.00 0.00 O ATOM 23 CB GLN A 3 -13.144 4.740 2.168 1.00 0.00 C ATOM 24 CG GLN A 3 -12.256 5.181 1.029 1.00 0.00 C ATOM 25 CD GLN A 3 -12.060 6.692 1.050 1.00 0.00 C ATOM 26 OE1 GLN A 3 -12.997 7.450 1.292 1.00 0.00 O ATOM 27 NE2 GLN A 3 -10.844 7.157 0.787 1.00 0.00 N ATOM 0 H GLN A 3 -15.529 5.768 1.712 1.00 0.00 H new ATOM 0 HA GLN A 3 -13.992 3.570 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.462 5.587 2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.625 4.049 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -11.289 4.683 1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.699 4.880 0.079 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -10.082 6.509 0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.672 8.162 0.783 1.00 0.00 H new ATOM 36 N GLN A 4 -14.663 1.797 2.096 1.00 0.00 N ATOM 37 CA GLN A 4 -14.994 0.712 2.988 1.00 0.00 C ATOM 38 C GLN A 4 -13.708 -0.054 3.242 1.00 0.00 C ATOM 39 O GLN A 4 -12.794 -0.005 2.426 1.00 0.00 O ATOM 40 CB GLN A 4 -16.081 -0.180 2.390 1.00 0.00 C ATOM 41 CG GLN A 4 -17.271 -0.276 3.346 1.00 0.00 C ATOM 42 CD GLN A 4 -16.866 -0.855 4.696 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.144 -0.216 5.459 1.00 0.00 O ATOM 44 NE2 GLN A 4 -17.286 -2.079 4.990 1.00 0.00 N ATOM 0 H GLN A 4 -14.242 1.511 1.212 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.401 1.087 3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.407 0.224 1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -15.680 -1.175 2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.703 0.714 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.046 -0.900 2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.884 -2.584 4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -17.010 -2.515 5.870 1.00 0.00 H new ATOM 53 N LYS A 5 -13.617 -0.735 4.375 1.00 0.00 N ATOM 54 CA LYS A 5 -12.443 -1.506 4.733 1.00 0.00 C ATOM 55 C LYS A 5 -12.827 -2.714 5.574 1.00 0.00 C ATOM 56 O LYS A 5 -13.796 -2.678 6.329 1.00 0.00 O ATOM 57 CB LYS A 5 -11.438 -0.638 5.489 1.00 0.00 C ATOM 58 CG LYS A 5 -12.132 0.206 6.557 1.00 0.00 C ATOM 59 CD LYS A 5 -12.609 1.508 5.918 1.00 0.00 C ATOM 60 CE LYS A 5 -13.695 2.136 6.786 1.00 0.00 C ATOM 61 NZ LYS A 5 -14.200 3.381 6.185 1.00 0.00 N ATOM 0 H LYS A 5 -14.361 -0.766 5.073 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.978 -1.858 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.684 -1.272 5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.917 0.014 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.976 -0.339 6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.446 0.417 7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.773 2.198 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.996 1.314 4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.516 1.431 6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.296 2.344 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.937 3.787 6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.419 4.061 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.601 3.176 5.248 1.00 0.00 H new ATOM 75 N VAL A 6 -12.049 -3.782 5.433 1.00 0.00 N ATOM 76 CA VAL A 6 -12.227 -5.017 6.174 1.00 0.00 C ATOM 77 C VAL A 6 -10.851 -5.461 6.662 1.00 0.00 C ATOM 78 O VAL A 6 -9.855 -5.237 5.980 1.00 0.00 O ATOM 79 CB VAL A 6 -12.917 -6.059 5.294 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.379 -5.661 5.115 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.261 -6.112 3.920 1.00 0.00 C ATOM 0 H VAL A 6 -11.261 -3.810 4.785 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.874 -4.880 7.040 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.835 -7.036 5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.882 -6.397 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.867 -5.619 6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.434 -4.682 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.764 -6.859 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.339 -5.136 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.210 -6.380 4.029 1.00 0.00 H new ATOM 91 N GLU A 7 -10.770 -6.043 7.855 1.00 0.00 N ATOM 92 CA GLU A 7 -9.471 -6.336 8.423 1.00 0.00 C ATOM 93 C GLU A 7 -8.883 -7.681 8.030 1.00 0.00 C ATOM 94 O GLU A 7 -9.575 -8.667 7.774 1.00 0.00 O ATOM 95 CB GLU A 7 -9.484 -6.164 9.937 1.00 0.00 C ATOM 96 CG GLU A 7 -9.757 -4.706 10.299 1.00 0.00 C ATOM 97 CD GLU A 7 -9.626 -4.486 11.800 1.00 0.00 C ATOM 98 OE1 GLU A 7 -8.820 -5.221 12.410 1.00 0.00 O ATOM 99 OE2 GLU A 7 -10.349 -3.602 12.304 1.00 0.00 O ATOM 0 H GLU A 7 -11.569 -6.313 8.429 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.800 -5.600 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.248 -6.805 10.377 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.527 -6.477 10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.058 -4.059 9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.759 -4.427 9.972 1.00 0.00 H new ATOM 106 N VAL A 8 -7.557 -7.679 8.008 1.00 0.00 N ATOM 107 CA VAL A 8 -6.717 -8.792 7.639 1.00 0.00 C ATOM 108 C VAL A 8 -5.447 -8.713 8.459 1.00 0.00 C ATOM 109 O VAL A 8 -4.949 -7.618 8.682 1.00 0.00 O ATOM 110 CB VAL A 8 -6.348 -8.689 6.145 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.983 -7.480 5.470 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.842 -8.540 5.916 1.00 0.00 C ATOM 0 H VAL A 8 -7.017 -6.852 8.262 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.240 -9.731 7.819 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.719 -9.622 5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.691 -7.455 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.068 -7.551 5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.644 -6.569 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.642 -8.472 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.487 -7.636 6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.324 -9.406 6.328 1.00 0.00 H new ATOM 122 N ARG A 9 -4.880 -9.833 8.891 1.00 0.00 N ATOM 123 CA ARG A 9 -3.523 -9.714 9.392 1.00 0.00 C ATOM 124 C ARG A 9 -2.662 -9.576 8.144 1.00 0.00 C ATOM 125 O ARG A 9 -2.841 -10.342 7.198 1.00 0.00 O ATOM 126 CB ARG A 9 -3.126 -10.914 10.247 1.00 0.00 C ATOM 127 CG ARG A 9 -1.631 -10.880 10.579 1.00 0.00 C ATOM 128 CD ARG A 9 -0.796 -11.456 9.427 1.00 0.00 C ATOM 129 NE ARG A 9 -1.513 -12.521 8.705 1.00 0.00 N ATOM 130 CZ ARG A 9 -1.072 -13.774 8.522 1.00 0.00 C ATOM 131 NH1 ARG A 9 0.103 -14.156 9.029 1.00 0.00 N ATOM 132 NH2 ARG A 9 -1.803 -14.641 7.813 1.00 0.00 N ATOM 0 H ARG A 9 -5.299 -10.763 8.906 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.403 -8.859 10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.707 -10.916 11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.364 -11.837 9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.323 -9.854 10.778 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.444 -11.451 11.489 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.538 -10.657 8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.140 -11.852 9.820 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.423 -12.285 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.670 -13.493 9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.434 -15.110 8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.694 -14.349 7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.469 -15.595 7.673 1.00 0.00 H new ATOM 146 N LEU A 10 -1.760 -8.596 8.116 1.00 0.00 N ATOM 147 CA LEU A 10 -0.909 -8.349 6.963 1.00 0.00 C ATOM 148 C LEU A 10 0.058 -9.509 6.741 1.00 0.00 C ATOM 149 O LEU A 10 1.223 -9.436 7.118 1.00 0.00 O ATOM 150 CB LEU A 10 -0.149 -7.039 7.153 1.00 0.00 C ATOM 151 CG LEU A 10 0.130 -6.354 5.817 1.00 0.00 C ATOM 152 CD1 LEU A 10 0.105 -7.316 4.633 1.00 0.00 C ATOM 153 CD2 LEU A 10 -0.954 -5.305 5.586 1.00 0.00 C ATOM 0 H LEU A 10 -1.602 -7.954 8.893 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.537 -8.267 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.727 -6.371 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.793 -7.235 7.666 1.00 0.00 H new ATOM 0 HG LEU A 10 1.130 -5.923 5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.310 -6.767 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.864 -8.086 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.877 -7.783 4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.776 -4.801 4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.930 -5.790 5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.931 -4.574 6.394 1.00 0.00 H new ATOM 165 N LYS A 11 -0.452 -10.564 6.120 1.00 0.00 N ATOM 166 CA LYS A 11 0.213 -11.817 5.829 1.00 0.00 C ATOM 167 C LYS A 11 1.216 -11.685 4.675 1.00 0.00 C ATOM 168 O LYS A 11 1.996 -12.602 4.417 1.00 0.00 O ATOM 169 CB LYS A 11 -0.934 -12.781 5.521 1.00 0.00 C ATOM 170 CG LYS A 11 -0.485 -14.173 5.134 1.00 0.00 C ATOM 171 CD LYS A 11 -0.120 -14.152 3.663 1.00 0.00 C ATOM 172 CE LYS A 11 -1.154 -13.383 2.849 1.00 0.00 C ATOM 173 NZ LYS A 11 -2.178 -14.270 2.303 1.00 0.00 N ATOM 0 H LYS A 11 -1.415 -10.561 5.783 1.00 0.00 H new ATOM 0 HA LYS A 11 0.825 -12.171 6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.581 -12.850 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.535 -12.367 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.371 -14.479 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.279 -14.896 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.861 -13.694 3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.046 -15.173 3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.624 -12.628 3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.657 -12.855 2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.084 -13.762 2.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.896 -14.581 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.284 -15.099 2.921 1.00 0.00 H new ATOM 187 N THR A 12 1.140 -10.573 3.948 1.00 0.00 N ATOM 188 CA THR A 12 1.989 -10.221 2.826 1.00 0.00 C ATOM 189 C THR A 12 2.975 -9.095 3.181 1.00 0.00 C ATOM 190 O THR A 12 3.811 -8.764 2.335 1.00 0.00 O ATOM 191 CB THR A 12 1.047 -9.792 1.691 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.105 -9.136 2.204 1.00 0.00 O ATOM 193 CG2 THR A 12 0.553 -11.014 0.923 1.00 0.00 C ATOM 0 H THR A 12 0.442 -9.855 4.142 1.00 0.00 H new ATOM 0 HA THR A 12 2.605 -11.071 2.532 1.00 0.00 H new ATOM 0 HB THR A 12 1.612 -9.121 1.044 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.749 -9.804 2.519 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.114 -10.695 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.404 -11.545 0.497 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.015 -11.677 1.601 1.00 0.00 H new ATOM 201 N GLY A 13 2.826 -8.486 4.376 1.00 0.00 N ATOM 202 CA GLY A 13 3.571 -7.350 4.933 1.00 0.00 C ATOM 203 C GLY A 13 4.110 -6.415 3.872 1.00 0.00 C ATOM 204 O GLY A 13 5.274 -6.020 3.890 1.00 0.00 O ATOM 0 H GLY A 13 2.115 -8.811 5.031 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.920 -6.791 5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.400 -7.726 5.532 1.00 0.00 H new ATOM 208 N LEU A 14 3.241 -6.155 2.900 1.00 0.00 N ATOM 209 CA LEU A 14 3.417 -5.276 1.770 1.00 0.00 C ATOM 210 C LEU A 14 4.829 -5.310 1.198 1.00 0.00 C ATOM 211 O LEU A 14 5.482 -4.285 1.016 1.00 0.00 O ATOM 212 CB LEU A 14 2.856 -3.899 2.046 1.00 0.00 C ATOM 213 CG LEU A 14 1.332 -3.950 1.846 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.927 -4.508 0.485 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.636 -4.829 2.883 1.00 0.00 C ATOM 0 H LEU A 14 2.321 -6.596 2.891 1.00 0.00 H new ATOM 0 HA LEU A 14 2.814 -5.664 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.095 -3.588 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.303 -3.165 1.375 1.00 0.00 H new ATOM 0 HG LEU A 14 1.023 -2.909 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.160 -4.518 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.343 -3.881 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.308 -5.524 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.438 -4.831 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.018 -5.847 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.830 -4.437 3.881 1.00 0.00 H new ATOM 227 N GLN A 15 5.244 -6.520 0.844 1.00 0.00 N ATOM 228 CA GLN A 15 6.553 -6.749 0.269 1.00 0.00 C ATOM 229 C GLN A 15 6.537 -7.030 -1.234 1.00 0.00 C ATOM 230 O GLN A 15 5.530 -6.864 -1.930 1.00 0.00 O ATOM 231 CB GLN A 15 7.245 -7.858 1.047 1.00 0.00 C ATOM 232 CG GLN A 15 7.623 -7.283 2.405 1.00 0.00 C ATOM 233 CD GLN A 15 7.730 -8.396 3.422 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.505 -9.332 3.251 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.920 -8.299 4.462 1.00 0.00 N ATOM 0 H GLN A 15 4.681 -7.364 0.949 1.00 0.00 H new ATOM 0 HA GLN A 15 7.118 -5.821 0.360 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.584 -8.717 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.131 -8.206 0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.572 -6.751 2.333 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.874 -6.558 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.297 -7.496 4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.918 -9.027 5.176 1.00 0.00 H new ATOM 244 N ALA A 16 7.697 -7.477 -1.717 1.00 0.00 N ATOM 245 CA ALA A 16 8.031 -7.701 -3.112 1.00 0.00 C ATOM 246 C ALA A 16 7.163 -8.755 -3.786 1.00 0.00 C ATOM 247 O ALA A 16 7.562 -9.909 -3.912 1.00 0.00 O ATOM 248 CB ALA A 16 9.510 -8.070 -3.205 1.00 0.00 C ATOM 0 H ALA A 16 8.475 -7.705 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 16 7.831 -6.777 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.777 -8.242 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.114 -7.256 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.696 -8.976 -2.629 1.00 0.00 H new ATOM 254 N ARG A 17 5.979 -8.326 -4.225 1.00 0.00 N ATOM 255 CA ARG A 17 4.991 -9.098 -4.969 1.00 0.00 C ATOM 256 C ARG A 17 3.759 -9.520 -4.177 1.00 0.00 C ATOM 257 O ARG A 17 2.699 -9.597 -4.792 1.00 0.00 O ATOM 258 CB ARG A 17 5.582 -10.284 -5.724 1.00 0.00 C ATOM 259 CG ARG A 17 6.052 -9.832 -7.107 1.00 0.00 C ATOM 260 CD ARG A 17 5.049 -8.891 -7.793 1.00 0.00 C ATOM 261 NE ARG A 17 3.648 -9.291 -7.580 1.00 0.00 N ATOM 262 CZ ARG A 17 2.631 -8.940 -8.379 1.00 0.00 C ATOM 263 NH1 ARG A 17 2.856 -8.238 -9.493 1.00 0.00 N ATOM 264 NH2 ARG A 17 1.384 -9.297 -8.056 1.00 0.00 N ATOM 0 H ARG A 17 5.668 -7.369 -4.058 1.00 0.00 H new ATOM 0 HA ARG A 17 4.638 -8.376 -5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.418 -10.704 -5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.836 -11.073 -5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.013 -9.327 -7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.212 -10.707 -7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.193 -7.878 -7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.256 -8.866 -8.863 1.00 0.00 H new ATOM 0 HE ARG A 17 3.437 -9.874 -6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.807 -7.965 -9.741 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.077 -7.975 -10.096 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.211 -9.833 -7.206 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.605 -9.033 -8.660 1.00 0.00 H new ATOM 278 N PRO A 18 3.810 -9.789 -2.866 1.00 0.00 N ATOM 279 CA PRO A 18 2.602 -10.093 -2.125 1.00 0.00 C ATOM 280 C PRO A 18 1.823 -8.796 -1.939 1.00 0.00 C ATOM 281 O PRO A 18 0.609 -8.735 -2.126 1.00 0.00 O ATOM 282 CB PRO A 18 3.093 -10.650 -0.791 1.00 0.00 C ATOM 283 CG PRO A 18 4.331 -9.785 -0.565 1.00 0.00 C ATOM 284 CD PRO A 18 4.945 -9.751 -1.965 1.00 0.00 C ATOM 0 HA PRO A 18 1.943 -10.805 -2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.356 -10.533 0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.334 -11.711 -0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.074 -8.788 -0.206 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.008 -10.223 0.168 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.539 -8.850 -2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.608 -10.601 -2.127 1.00 0.00 H new ATOM 292 N ALA A 19 2.556 -7.741 -1.593 1.00 0.00 N ATOM 293 CA ALA A 19 2.038 -6.408 -1.470 1.00 0.00 C ATOM 294 C ALA A 19 1.601 -5.923 -2.826 1.00 0.00 C ATOM 295 O ALA A 19 0.542 -5.325 -2.955 1.00 0.00 O ATOM 296 CB ALA A 19 3.200 -5.555 -1.059 1.00 0.00 C ATOM 0 H ALA A 19 3.553 -7.806 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 19 1.205 -6.371 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.871 -4.522 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.597 -5.914 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.978 -5.608 -1.821 1.00 0.00 H new ATOM 302 N ALA A 20 2.458 -6.185 -3.815 1.00 0.00 N ATOM 303 CA ALA A 20 2.190 -5.884 -5.207 1.00 0.00 C ATOM 304 C ALA A 20 0.841 -6.493 -5.549 1.00 0.00 C ATOM 305 O ALA A 20 -0.043 -5.801 -6.034 1.00 0.00 O ATOM 306 CB ALA A 20 3.291 -6.474 -6.082 1.00 0.00 C ATOM 0 H ALA A 20 3.368 -6.618 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 20 2.170 -4.808 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.086 -6.246 -7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.251 -6.044 -5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.324 -7.555 -5.946 1.00 0.00 H new ATOM 312 N LEU A 21 0.684 -7.777 -5.219 1.00 0.00 N ATOM 313 CA LEU A 21 -0.540 -8.532 -5.393 1.00 0.00 C ATOM 314 C LEU A 21 -1.693 -7.763 -4.759 1.00 0.00 C ATOM 315 O LEU A 21 -2.624 -7.402 -5.471 1.00 0.00 O ATOM 316 CB LEU A 21 -0.371 -9.926 -4.783 1.00 0.00 C ATOM 317 CG LEU A 21 -1.338 -10.929 -5.410 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.096 -12.308 -4.805 1.00 0.00 C ATOM 319 CD2 LEU A 21 -2.787 -10.525 -5.157 1.00 0.00 C ATOM 0 H LEU A 21 1.437 -8.331 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.765 -8.663 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.654 -10.267 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.541 -9.877 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.163 -10.948 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.784 -13.026 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.070 -12.617 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.261 -12.267 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.454 -11.256 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.972 -10.487 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.972 -9.543 -5.592 1.00 0.00 H new ATOM 331 N PHE A 22 -1.599 -7.499 -3.452 1.00 0.00 N ATOM 332 CA PHE A 22 -2.538 -6.735 -2.635 1.00 0.00 C ATOM 333 C PHE A 22 -2.974 -5.472 -3.380 1.00 0.00 C ATOM 334 O PHE A 22 -4.110 -5.355 -3.846 1.00 0.00 O ATOM 335 CB PHE A 22 -1.766 -6.403 -1.349 1.00 0.00 C ATOM 336 CG PHE A 22 -2.474 -5.673 -0.228 1.00 0.00 C ATOM 337 CD1 PHE A 22 -3.285 -4.553 -0.485 1.00 0.00 C ATOM 338 CD2 PHE A 22 -2.162 -6.015 1.101 1.00 0.00 C ATOM 339 CE1 PHE A 22 -3.847 -3.826 0.580 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.730 -5.295 2.167 1.00 0.00 C ATOM 341 CZ PHE A 22 -3.582 -4.207 1.906 1.00 0.00 C ATOM 0 H PHE A 22 -0.810 -7.838 -2.902 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.452 -7.286 -2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.388 -7.341 -0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.899 -5.806 -1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.477 -4.250 -1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.485 -6.832 1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.482 -2.976 0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.512 -5.578 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.032 -3.665 2.724 1.00 0.00 H new ATOM 351 N VAL A 23 -2.045 -4.522 -3.479 1.00 0.00 N ATOM 352 CA VAL A 23 -2.202 -3.248 -4.148 1.00 0.00 C ATOM 353 C VAL A 23 -2.873 -3.437 -5.518 1.00 0.00 C ATOM 354 O VAL A 23 -3.780 -2.684 -5.870 1.00 0.00 O ATOM 355 CB VAL A 23 -0.800 -2.619 -4.256 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.811 -1.436 -5.218 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.239 -2.155 -2.897 1.00 0.00 C ATOM 0 H VAL A 23 -1.117 -4.634 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.856 -2.580 -3.587 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.148 -3.407 -4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.189 -1.007 -5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.122 -1.774 -6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.508 -0.680 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.751 -1.721 -3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.904 -1.407 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.167 -3.008 -2.223 1.00 0.00 H new ATOM 367 N GLN A 24 -2.443 -4.451 -6.270 1.00 0.00 N ATOM 368 CA GLN A 24 -2.848 -4.804 -7.612 1.00 0.00 C ATOM 369 C GLN A 24 -4.266 -5.358 -7.692 1.00 0.00 C ATOM 370 O GLN A 24 -4.974 -5.066 -8.645 1.00 0.00 O ATOM 371 CB GLN A 24 -1.834 -5.851 -8.042 1.00 0.00 C ATOM 372 CG GLN A 24 -2.225 -6.690 -9.240 1.00 0.00 C ATOM 373 CD GLN A 24 -1.748 -8.113 -9.006 1.00 0.00 C ATOM 374 OE1 GLN A 24 -0.903 -8.632 -9.728 1.00 0.00 O ATOM 375 NE2 GLN A 24 -2.250 -8.747 -7.951 1.00 0.00 N ATOM 0 H GLN A 24 -1.739 -5.098 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.867 -3.925 -8.257 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.893 -5.349 -8.265 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.648 -6.518 -7.200 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.306 -6.671 -9.380 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.779 -6.285 -10.148 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.952 -8.291 -7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.933 -9.690 -7.724 1.00 0.00 H new ATOM 384 N GLU A 25 -4.684 -6.192 -6.747 1.00 0.00 N ATOM 385 CA GLU A 25 -6.018 -6.768 -6.744 1.00 0.00 C ATOM 386 C GLU A 25 -7.016 -5.707 -6.300 1.00 0.00 C ATOM 387 O GLU A 25 -8.124 -5.649 -6.824 1.00 0.00 O ATOM 388 CB GLU A 25 -6.060 -8.046 -5.902 1.00 0.00 C ATOM 389 CG GLU A 25 -5.204 -7.922 -4.642 1.00 0.00 C ATOM 390 CD GLU A 25 -5.325 -9.127 -3.726 1.00 0.00 C ATOM 391 OE1 GLU A 25 -5.840 -10.162 -4.202 1.00 0.00 O ATOM 392 OE2 GLU A 25 -4.906 -8.978 -2.558 1.00 0.00 O ATOM 0 H GLU A 25 -4.104 -6.487 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.300 -7.078 -7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.091 -8.263 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.708 -8.887 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.160 -7.793 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.498 -7.026 -4.096 1.00 0.00 H new ATOM 399 N ALA A 26 -6.634 -4.850 -5.351 1.00 0.00 N ATOM 400 CA ALA A 26 -7.477 -3.711 -5.025 1.00 0.00 C ATOM 401 C ALA A 26 -7.611 -2.859 -6.292 1.00 0.00 C ATOM 402 O ALA A 26 -8.704 -2.583 -6.789 1.00 0.00 O ATOM 403 CB ALA A 26 -6.796 -2.907 -3.927 1.00 0.00 C ATOM 0 H ALA A 26 -5.771 -4.923 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.462 -4.026 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.414 -2.047 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.662 -3.535 -3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.824 -2.562 -4.278 1.00 0.00 H new ATOM 409 N ASN A 27 -6.437 -2.517 -6.831 1.00 0.00 N ATOM 410 CA ASN A 27 -6.205 -1.749 -8.041 1.00 0.00 C ATOM 411 C ASN A 27 -7.031 -2.225 -9.213 1.00 0.00 C ATOM 412 O ASN A 27 -7.630 -1.437 -9.938 1.00 0.00 O ATOM 413 CB ASN A 27 -4.788 -2.082 -8.486 1.00 0.00 C ATOM 414 CG ASN A 27 -3.912 -0.851 -8.603 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.203 -0.537 -7.527 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 -3.865 -0.197 -9.637 1.00 0.00 N flip ATOM 0 H ASN A 27 -5.560 -2.796 -6.392 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.425 -0.707 -7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.341 -2.776 -7.774 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.823 -2.592 -9.449 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.427 -0.474 -10.442 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.263 0.625 -9.694 1.00 0.00 H new ATOM 423 N ARG A 28 -7.017 -3.544 -9.394 1.00 0.00 N ATOM 424 CA ARG A 28 -7.598 -4.212 -10.544 1.00 0.00 C ATOM 425 C ARG A 28 -9.112 -4.056 -10.613 1.00 0.00 C ATOM 426 O ARG A 28 -9.726 -4.468 -11.596 1.00 0.00 O ATOM 427 CB ARG A 28 -7.134 -5.662 -10.566 1.00 0.00 C ATOM 428 CG ARG A 28 -7.827 -6.379 -9.433 1.00 0.00 C ATOM 429 CD ARG A 28 -9.090 -7.063 -9.947 1.00 0.00 C ATOM 430 NE ARG A 28 -8.756 -8.164 -10.854 1.00 0.00 N ATOM 431 CZ ARG A 28 -8.892 -8.118 -12.187 1.00 0.00 C ATOM 432 NH1 ARG A 28 -9.310 -7.003 -12.799 1.00 0.00 N ATOM 433 NH2 ARG A 28 -8.606 -9.203 -12.913 1.00 0.00 N ATOM 0 H ARG A 28 -6.591 -4.187 -8.727 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.240 -3.729 -11.453 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.378 -6.128 -11.521 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.052 -5.720 -10.451 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.156 -7.117 -8.994 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.082 -5.671 -8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.671 -7.443 -9.106 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.716 -6.337 -10.465 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.395 -9.025 -10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.530 -6.172 -12.250 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.408 -6.985 -13.814 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.288 -10.056 -12.452 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.706 -9.179 -13.928 1.00 0.00 H new ATOM 447 N PHE A 29 -9.722 -3.518 -9.558 1.00 0.00 N ATOM 448 CA PHE A 29 -11.123 -3.197 -9.591 1.00 0.00 C ATOM 449 C PHE A 29 -11.274 -1.804 -10.200 1.00 0.00 C ATOM 450 O PHE A 29 -11.390 -1.666 -11.413 1.00 0.00 O ATOM 451 CB PHE A 29 -11.658 -3.304 -8.170 1.00 0.00 C ATOM 452 CG PHE A 29 -12.016 -4.722 -7.806 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.764 -5.512 -8.696 1.00 0.00 C ATOM 454 CD2 PHE A 29 -11.653 -5.229 -6.551 1.00 0.00 C ATOM 455 CE1 PHE A 29 -13.204 -6.786 -8.303 1.00 0.00 C ATOM 456 CE2 PHE A 29 -12.167 -6.466 -6.126 1.00 0.00 C ATOM 457 CZ PHE A 29 -12.916 -7.259 -7.013 1.00 0.00 C ATOM 0 H PHE A 29 -9.257 -3.300 -8.677 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.704 -3.882 -10.209 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.910 -2.929 -7.472 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.538 -2.670 -8.065 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.000 -5.139 -9.682 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -10.982 -4.672 -5.914 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.763 -7.401 -8.992 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.987 -6.808 -5.117 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.269 -8.231 -6.702 1.00 0.00 H new ATOM 467 N THR A 30 -11.300 -0.777 -9.353 1.00 0.00 N ATOM 468 CA THR A 30 -11.396 0.625 -9.749 1.00 0.00 C ATOM 469 C THR A 30 -10.959 1.466 -8.560 1.00 0.00 C ATOM 470 O THR A 30 -10.064 2.301 -8.638 1.00 0.00 O ATOM 471 CB THR A 30 -12.842 0.986 -10.115 1.00 0.00 C ATOM 472 OG1 THR A 30 -13.738 0.444 -9.166 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.219 0.477 -11.500 1.00 0.00 C ATOM 0 H THR A 30 -11.253 -0.902 -8.342 1.00 0.00 H new ATOM 0 HA THR A 30 -10.766 0.809 -10.620 1.00 0.00 H new ATOM 0 HB THR A 30 -12.911 2.074 -10.116 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.815 -0.523 -9.304 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.250 0.753 -11.721 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.557 0.921 -12.243 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.120 -0.608 -11.528 1.00 0.00 H new ATOM 481 N SER A 31 -11.663 1.205 -7.460 1.00 0.00 N ATOM 482 CA SER A 31 -11.563 1.778 -6.142 1.00 0.00 C ATOM 483 C SER A 31 -10.198 2.289 -5.720 1.00 0.00 C ATOM 484 O SER A 31 -9.188 1.591 -5.791 1.00 0.00 O ATOM 485 CB SER A 31 -12.056 0.713 -5.169 1.00 0.00 C ATOM 486 OG SER A 31 -13.207 0.067 -5.701 1.00 0.00 O ATOM 0 H SER A 31 -12.401 0.502 -7.488 1.00 0.00 H new ATOM 0 HA SER A 31 -12.168 2.685 -6.144 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.269 -0.019 -4.988 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.295 1.169 -4.208 1.00 0.00 H new ATOM 0 HG SER A 31 -12.944 -0.782 -6.113 1.00 0.00 H new ATOM 492 N ASP A 32 -10.214 3.510 -5.193 1.00 0.00 N ATOM 493 CA ASP A 32 -9.044 4.107 -4.591 1.00 0.00 C ATOM 494 C ASP A 32 -8.873 3.370 -3.278 1.00 0.00 C ATOM 495 O ASP A 32 -9.720 3.454 -2.392 1.00 0.00 O ATOM 496 CB ASP A 32 -9.220 5.608 -4.402 1.00 0.00 C ATOM 497 CG ASP A 32 -7.919 6.237 -3.937 1.00 0.00 C ATOM 498 OD1 ASP A 32 -6.860 5.635 -4.224 1.00 0.00 O ATOM 499 OD2 ASP A 32 -8.008 7.305 -3.297 1.00 0.00 O ATOM 0 H ASP A 32 -11.041 4.106 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.157 4.013 -5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.538 6.065 -5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.006 5.800 -3.671 1.00 0.00 H new ATOM 504 N VAL A 33 -7.827 2.571 -3.201 1.00 0.00 N ATOM 505 CA VAL A 33 -7.682 1.622 -2.126 1.00 0.00 C ATOM 506 C VAL A 33 -6.771 2.084 -1.001 1.00 0.00 C ATOM 507 O VAL A 33 -5.770 2.761 -1.222 1.00 0.00 O ATOM 508 CB VAL A 33 -7.286 0.312 -2.784 1.00 0.00 C ATOM 509 CG1 VAL A 33 -6.748 -0.685 -1.768 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.562 -0.119 -3.514 1.00 0.00 C ATOM 0 H VAL A 33 -7.063 2.564 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.620 1.499 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.455 0.395 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.475 -1.610 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.869 -0.267 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.514 -0.893 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.385 -1.064 -4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.369 -0.244 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.840 0.644 -4.241 1.00 0.00 H new ATOM 520 N PHE A 34 -7.136 1.701 0.223 1.00 0.00 N ATOM 521 CA PHE A 34 -6.437 2.078 1.435 1.00 0.00 C ATOM 522 C PHE A 34 -6.253 0.873 2.353 1.00 0.00 C ATOM 523 O PHE A 34 -6.631 -0.242 2.009 1.00 0.00 O ATOM 524 CB PHE A 34 -7.135 3.244 2.153 1.00 0.00 C ATOM 525 CG PHE A 34 -7.364 4.479 1.305 1.00 0.00 C ATOM 526 CD1 PHE A 34 -8.321 4.463 0.275 1.00 0.00 C ATOM 527 CD2 PHE A 34 -6.566 5.623 1.497 1.00 0.00 C ATOM 528 CE1 PHE A 34 -8.430 5.554 -0.601 1.00 0.00 C ATOM 529 CE2 PHE A 34 -6.734 6.748 0.670 1.00 0.00 C ATOM 530 CZ PHE A 34 -7.661 6.710 -0.387 1.00 0.00 C ATOM 0 H PHE A 34 -7.946 1.106 0.395 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.445 2.432 1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.098 2.896 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.539 3.524 3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.973 3.610 0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.823 5.637 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.107 5.505 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.152 7.640 0.846 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.781 7.567 -1.033 1.00 0.00 H new ATOM 540 N LEU A 35 -5.644 1.084 3.512 1.00 0.00 N ATOM 541 CA LEU A 35 -5.431 0.061 4.515 1.00 0.00 C ATOM 542 C LEU A 35 -5.174 0.774 5.828 1.00 0.00 C ATOM 543 O LEU A 35 -4.262 1.590 5.902 1.00 0.00 O ATOM 544 CB LEU A 35 -4.248 -0.816 4.117 1.00 0.00 C ATOM 545 CG LEU A 35 -4.047 -1.965 5.096 1.00 0.00 C ATOM 546 CD1 LEU A 35 -5.235 -2.917 5.009 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.775 -2.702 4.695 1.00 0.00 C ATOM 0 H LEU A 35 -5.277 1.996 3.783 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.298 -0.593 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.411 -1.215 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.343 -0.210 4.076 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.966 -1.590 6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.093 -3.740 5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.150 -2.381 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.312 -3.311 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.604 -3.533 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.881 -3.085 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.929 -2.017 4.738 1.00 0.00 H new ATOM 559 N GLU A 36 -6.012 0.513 6.824 1.00 0.00 N ATOM 560 CA GLU A 36 -5.942 1.130 8.137 1.00 0.00 C ATOM 561 C GLU A 36 -5.440 0.067 9.107 1.00 0.00 C ATOM 562 O GLU A 36 -6.253 -0.664 9.674 1.00 0.00 O ATOM 563 CB GLU A 36 -7.338 1.591 8.557 1.00 0.00 C ATOM 564 CG GLU A 36 -8.177 1.967 7.339 1.00 0.00 C ATOM 565 CD GLU A 36 -9.636 2.139 7.719 1.00 0.00 C ATOM 566 OE1 GLU A 36 -10.152 1.220 8.391 1.00 0.00 O ATOM 567 OE2 GLU A 36 -10.206 3.181 7.330 1.00 0.00 O ATOM 0 H GLU A 36 -6.780 -0.153 6.735 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.277 1.994 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.835 0.797 9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.256 2.448 9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.799 2.892 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.084 1.194 6.576 1.00 0.00 H new ATOM 574 N LYS A 37 -4.127 -0.054 9.287 1.00 0.00 N ATOM 575 CA LYS A 37 -3.517 -1.085 10.119 1.00 0.00 C ATOM 576 C LYS A 37 -3.968 -0.910 11.554 1.00 0.00 C ATOM 577 O LYS A 37 -3.452 -0.033 12.245 1.00 0.00 O ATOM 578 CB LYS A 37 -2.003 -0.955 10.060 1.00 0.00 C ATOM 579 CG LYS A 37 -1.495 -0.769 8.636 1.00 0.00 C ATOM 580 CD LYS A 37 0.024 -0.740 8.705 1.00 0.00 C ATOM 581 CE LYS A 37 0.570 -2.059 9.244 1.00 0.00 C ATOM 582 NZ LYS A 37 0.311 -3.177 8.320 1.00 0.00 N ATOM 0 H LYS A 37 -3.448 0.571 8.852 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.819 -2.066 9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.689 -0.107 10.669 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.547 -1.845 10.493 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.836 -1.582 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.879 0.157 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.434 -0.551 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.347 0.081 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.643 -1.967 9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.114 -2.273 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.825 -4.021 8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.709 -3.380 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.634 -2.920 7.365 1.00 0.00 H new ATOM 596 N ASP A 38 -4.955 -1.695 11.991 1.00 0.00 N ATOM 597 CA ASP A 38 -5.582 -1.505 13.288 1.00 0.00 C ATOM 598 C ASP A 38 -6.061 -0.053 13.415 1.00 0.00 C ATOM 599 O ASP A 38 -6.100 0.492 14.516 1.00 0.00 O ATOM 600 CB ASP A 38 -4.586 -1.826 14.403 1.00 0.00 C ATOM 601 CG ASP A 38 -4.319 -3.317 14.554 1.00 0.00 C ATOM 602 OD1 ASP A 38 -3.596 -3.872 13.695 1.00 0.00 O ATOM 603 OD2 ASP A 38 -4.828 -3.881 15.544 1.00 0.00 O ATOM 0 H ASP A 38 -5.336 -2.474 11.455 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.436 -2.176 13.377 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.646 -1.313 14.201 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.967 -1.434 15.346 1.00 0.00 H new ATOM 608 N GLY A 39 -6.400 0.589 12.290 1.00 0.00 N ATOM 609 CA GLY A 39 -6.797 1.985 12.300 1.00 0.00 C ATOM 610 C GLY A 39 -5.815 2.875 11.532 1.00 0.00 C ATOM 611 O GLY A 39 -6.202 3.928 11.030 1.00 0.00 O ATOM 0 H GLY A 39 -6.404 0.156 11.366 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.790 2.081 11.861 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.869 2.332 13.331 1.00 0.00 H new ATOM 615 N LYS A 40 -4.551 2.460 11.395 1.00 0.00 N ATOM 616 CA LYS A 40 -3.530 3.261 10.740 1.00 0.00 C ATOM 617 C LYS A 40 -3.699 3.179 9.227 1.00 0.00 C ATOM 618 O LYS A 40 -3.000 2.419 8.559 1.00 0.00 O ATOM 619 CB LYS A 40 -2.161 2.741 11.158 1.00 0.00 C ATOM 620 CG LYS A 40 -2.026 2.675 12.678 1.00 0.00 C ATOM 621 CD LYS A 40 -0.679 2.039 13.001 1.00 0.00 C ATOM 622 CE LYS A 40 -0.610 0.741 12.204 1.00 0.00 C ATOM 623 NZ LYS A 40 0.605 -0.021 12.532 1.00 0.00 N ATOM 0 H LYS A 40 -4.215 1.560 11.737 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.625 4.306 11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.003 1.749 10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.385 3.389 10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.090 3.673 13.111 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.838 2.089 13.108 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.140 2.705 12.729 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.589 1.843 14.069 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.491 0.134 12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.625 0.965 11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.625 -0.899 11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.444 0.551 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.606 -0.254 13.546 1.00 0.00 H new ATOM 637 N LYS A 41 -4.677 3.916 8.708 1.00 0.00 N ATOM 638 CA LYS A 41 -5.043 3.895 7.305 1.00 0.00 C ATOM 639 C LYS A 41 -4.143 4.744 6.412 1.00 0.00 C ATOM 640 O LYS A 41 -3.717 5.836 6.777 1.00 0.00 O ATOM 641 CB LYS A 41 -6.487 4.356 7.184 1.00 0.00 C ATOM 642 CG LYS A 41 -6.966 4.354 5.730 1.00 0.00 C ATOM 643 CD LYS A 41 -8.216 5.222 5.643 1.00 0.00 C ATOM 644 CE LYS A 41 -8.375 5.676 4.195 1.00 0.00 C ATOM 645 NZ LYS A 41 -9.769 6.051 3.911 1.00 0.00 N ATOM 0 H LYS A 41 -5.244 4.554 9.265 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.917 2.872 6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.127 3.704 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.583 5.360 7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.188 4.740 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.185 3.338 5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.093 4.660 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.129 6.083 6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.720 6.525 4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.066 4.876 3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.028 5.727 2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.397 5.607 4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.868 7.085 3.964 1.00 0.00 H new ATOM 659 N VAL A 42 -3.921 4.224 5.205 1.00 0.00 N ATOM 660 CA VAL A 42 -3.138 4.821 4.135 1.00 0.00 C ATOM 661 C VAL A 42 -3.606 4.295 2.794 1.00 0.00 C ATOM 662 O VAL A 42 -4.434 3.392 2.755 1.00 0.00 O ATOM 663 CB VAL A 42 -1.659 4.503 4.338 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.097 5.326 5.489 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.516 3.012 4.643 1.00 0.00 C ATOM 0 H VAL A 42 -4.309 3.320 4.937 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.274 5.902 4.154 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.103 4.752 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.041 5.090 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.206 6.387 5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.641 5.091 6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.463 2.770 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.074 2.771 5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.908 2.431 3.809 1.00 0.00 H new ATOM 675 N ASN A 43 -3.111 4.871 1.697 1.00 0.00 N ATOM 676 CA ASN A 43 -3.505 4.441 0.370 1.00 0.00 C ATOM 677 C ASN A 43 -2.829 3.123 0.062 1.00 0.00 C ATOM 678 O ASN A 43 -1.664 3.084 -0.318 1.00 0.00 O ATOM 679 CB ASN A 43 -3.140 5.487 -0.669 1.00 0.00 C ATOM 680 CG ASN A 43 -3.814 5.120 -1.978 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.264 4.367 -2.777 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.013 5.647 -2.193 1.00 0.00 N ATOM 0 H ASN A 43 -2.437 5.636 1.710 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.587 4.312 0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.462 6.475 -0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.059 5.531 -0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.518 5.431 -3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.429 6.268 -1.499 1.00 0.00 H new ATOM 689 N ALA A 44 -3.598 2.056 0.209 1.00 0.00 N ATOM 690 CA ALA A 44 -3.171 0.677 0.095 1.00 0.00 C ATOM 691 C ALA A 44 -2.361 0.416 -1.163 1.00 0.00 C ATOM 692 O ALA A 44 -1.361 -0.290 -1.120 1.00 0.00 O ATOM 693 CB ALA A 44 -4.408 -0.211 0.067 1.00 0.00 C ATOM 0 H ALA A 44 -4.592 2.137 0.423 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.532 0.457 0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.105 -1.255 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.976 -0.073 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.029 0.058 -0.787 1.00 0.00 H new ATOM 699 N LYS A 45 -2.809 0.976 -2.285 1.00 0.00 N ATOM 700 CA LYS A 45 -2.144 0.759 -3.557 1.00 0.00 C ATOM 701 C LYS A 45 -0.915 1.645 -3.741 1.00 0.00 C ATOM 702 O LYS A 45 -0.065 1.351 -4.578 1.00 0.00 O ATOM 703 CB LYS A 45 -3.125 0.979 -4.709 1.00 0.00 C ATOM 704 CG LYS A 45 -3.906 2.283 -4.533 1.00 0.00 C ATOM 705 CD LYS A 45 -4.501 2.730 -5.870 1.00 0.00 C ATOM 706 CE LYS A 45 -5.175 1.571 -6.610 1.00 0.00 C ATOM 707 NZ LYS A 45 -6.316 1.019 -5.860 1.00 0.00 N ATOM 0 H LYS A 45 -3.628 1.581 -2.334 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.796 -0.274 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.581 1.003 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.820 0.141 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.702 2.142 -3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.248 3.059 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.229 3.523 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.714 3.151 -6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.517 1.915 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.444 0.782 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.074 0.070 -5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.536 1.640 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.145 0.956 -6.485 1.00 0.00 H new ATOM 721 N SER A 46 -0.822 2.746 -3.003 1.00 0.00 N ATOM 722 CA SER A 46 0.285 3.659 -3.204 1.00 0.00 C ATOM 723 C SER A 46 1.387 3.518 -2.169 1.00 0.00 C ATOM 724 O SER A 46 1.108 3.227 -1.018 1.00 0.00 O ATOM 725 CB SER A 46 -0.220 5.094 -3.147 1.00 0.00 C ATOM 726 OG SER A 46 -1.146 5.330 -4.188 1.00 0.00 O ATOM 0 H SER A 46 -1.485 3.019 -2.278 1.00 0.00 H new ATOM 0 HA SER A 46 0.705 3.410 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.691 5.283 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.618 5.785 -3.233 1.00 0.00 H new ATOM 0 HG SER A 46 -2.039 5.045 -3.902 1.00 0.00 H new ATOM 732 N ILE A 47 2.622 3.803 -2.583 1.00 0.00 N ATOM 733 CA ILE A 47 3.850 3.890 -1.786 1.00 0.00 C ATOM 734 C ILE A 47 3.650 3.968 -0.268 1.00 0.00 C ATOM 735 O ILE A 47 4.103 3.094 0.461 1.00 0.00 O ATOM 736 CB ILE A 47 4.658 5.102 -2.286 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.922 5.381 -1.460 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.796 6.364 -2.323 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.609 6.183 -0.192 1.00 0.00 C ATOM 0 H ILE A 47 2.806 3.995 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 47 4.384 2.951 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 47 4.977 4.837 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.393 4.437 -1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.640 5.930 -2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.394 7.203 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.952 6.208 -2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.427 6.582 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.530 6.359 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.163 7.139 -0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.911 5.622 0.430 1.00 0.00 H new ATOM 751 N MET A 48 3.012 5.021 0.234 1.00 0.00 N ATOM 752 CA MET A 48 2.892 5.181 1.672 1.00 0.00 C ATOM 753 C MET A 48 1.863 4.243 2.290 1.00 0.00 C ATOM 754 O MET A 48 2.025 3.800 3.426 1.00 0.00 O ATOM 755 CB MET A 48 2.613 6.641 1.994 1.00 0.00 C ATOM 756 CG MET A 48 3.934 7.394 1.911 1.00 0.00 C ATOM 757 SD MET A 48 3.790 9.180 2.108 1.00 0.00 S ATOM 758 CE MET A 48 2.819 9.510 0.626 1.00 0.00 C ATOM 0 H MET A 48 2.580 5.759 -0.322 1.00 0.00 H new ATOM 0 HA MET A 48 3.840 4.895 2.128 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.891 7.057 1.291 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.180 6.737 2.990 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.606 7.010 2.679 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.398 7.184 0.947 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.982 10.539 0.306 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.126 8.830 -0.169 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.761 9.361 0.843 1.00 0.00 H new ATOM 768 N GLY A 49 0.806 3.927 1.550 1.00 0.00 N ATOM 769 CA GLY A 49 -0.168 2.979 2.028 1.00 0.00 C ATOM 770 C GLY A 49 0.430 1.585 1.990 1.00 0.00 C ATOM 771 O GLY A 49 0.396 0.898 2.999 1.00 0.00 O ATOM 0 H GLY A 49 0.611 4.314 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.469 3.231 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.065 3.019 1.411 1.00 0.00 H new ATOM 775 N LEU A 50 0.998 1.189 0.852 1.00 0.00 N ATOM 776 CA LEU A 50 1.623 -0.096 0.637 1.00 0.00 C ATOM 777 C LEU A 50 2.935 -0.232 1.409 1.00 0.00 C ATOM 778 O LEU A 50 3.031 -1.002 2.362 1.00 0.00 O ATOM 779 CB LEU A 50 1.825 -0.227 -0.880 1.00 0.00 C ATOM 780 CG LEU A 50 2.934 -1.199 -1.284 1.00 0.00 C ATOM 781 CD1 LEU A 50 2.745 -2.530 -0.580 1.00 0.00 C ATOM 782 CD2 LEU A 50 2.898 -1.413 -2.792 1.00 0.00 C ATOM 0 H LEU A 50 1.032 1.787 0.026 1.00 0.00 H new ATOM 0 HA LEU A 50 0.994 -0.903 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.889 -0.553 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.052 0.757 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 50 3.897 -0.778 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.541 -3.214 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.778 -2.379 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.780 -2.954 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.689 -2.106 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.931 -1.827 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.049 -0.460 -3.298 1.00 0.00 H new ATOM 794 N MET A 51 3.959 0.497 0.974 1.00 0.00 N ATOM 795 CA MET A 51 5.305 0.384 1.494 1.00 0.00 C ATOM 796 C MET A 51 5.432 0.956 2.894 1.00 0.00 C ATOM 797 O MET A 51 6.191 0.424 3.696 1.00 0.00 O ATOM 798 CB MET A 51 6.253 1.091 0.519 1.00 0.00 C ATOM 799 CG MET A 51 7.679 1.232 1.066 1.00 0.00 C ATOM 800 SD MET A 51 8.013 2.736 2.021 1.00 0.00 S ATOM 801 CE MET A 51 7.528 3.959 0.789 1.00 0.00 C ATOM 0 H MET A 51 3.867 1.195 0.235 1.00 0.00 H new ATOM 0 HA MET A 51 5.567 -0.671 1.578 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.283 0.535 -0.418 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.858 2.081 0.290 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.893 0.369 1.697 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.375 1.195 0.228 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.022 4.907 1.003 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.821 3.613 -0.202 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.447 4.098 0.820 1.00 0.00 H new ATOM 811 N SER A 52 4.743 2.057 3.187 1.00 0.00 N ATOM 812 CA SER A 52 4.920 2.669 4.489 1.00 0.00 C ATOM 813 C SER A 52 4.127 1.942 5.568 1.00 0.00 C ATOM 814 O SER A 52 4.702 1.414 6.514 1.00 0.00 O ATOM 815 CB SER A 52 4.572 4.154 4.421 1.00 0.00 C ATOM 816 OG SER A 52 5.255 4.751 3.334 1.00 0.00 O ATOM 0 H SER A 52 4.084 2.524 2.564 1.00 0.00 H new ATOM 0 HA SER A 52 5.969 2.581 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.496 4.281 4.302 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.850 4.646 5.353 1.00 0.00 H new ATOM 0 HG SER A 52 5.839 5.464 3.667 1.00 0.00 H new ATOM 822 N LEU A 53 2.802 1.948 5.460 1.00 0.00 N ATOM 823 CA LEU A 53 1.969 1.320 6.469 1.00 0.00 C ATOM 824 C LEU A 53 1.845 -0.183 6.260 1.00 0.00 C ATOM 825 O LEU A 53 2.334 -0.977 7.067 1.00 0.00 O ATOM 826 CB LEU A 53 0.608 1.988 6.493 1.00 0.00 C ATOM 827 CG LEU A 53 0.722 3.333 7.212 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.297 3.121 8.611 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.607 4.320 6.453 1.00 0.00 C ATOM 0 H LEU A 53 2.290 2.378 4.690 1.00 0.00 H new ATOM 0 HA LEU A 53 2.450 1.455 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.244 2.135 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.115 1.350 7.002 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.281 3.756 7.270 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.377 4.081 9.121 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.640 2.462 9.179 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.285 2.668 8.533 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.658 5.260 7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.610 3.905 6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.186 4.500 5.464 1.00 0.00 H new ATOM 841 N ALA A 54 1.122 -0.548 5.197 1.00 0.00 N ATOM 842 CA ALA A 54 0.764 -1.891 4.769 1.00 0.00 C ATOM 843 C ALA A 54 1.881 -2.896 5.027 1.00 0.00 C ATOM 844 O ALA A 54 1.621 -3.977 5.543 1.00 0.00 O ATOM 845 CB ALA A 54 0.340 -1.841 3.296 1.00 0.00 C ATOM 0 H ALA A 54 0.742 0.155 4.563 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.077 -2.247 5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.069 -2.842 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.517 -1.177 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.167 -1.468 2.692 1.00 0.00 H new ATOM 851 N VAL A 55 3.121 -2.520 4.720 1.00 0.00 N ATOM 852 CA VAL A 55 4.313 -3.335 4.935 1.00 0.00 C ATOM 853 C VAL A 55 4.409 -3.979 6.329 1.00 0.00 C ATOM 854 O VAL A 55 5.128 -4.960 6.510 1.00 0.00 O ATOM 855 CB VAL A 55 5.541 -2.471 4.660 1.00 0.00 C ATOM 856 CG1 VAL A 55 5.686 -1.415 5.756 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.791 -3.343 4.630 1.00 0.00 C ATOM 0 H VAL A 55 3.329 -1.613 4.303 1.00 0.00 H new ATOM 0 HA VAL A 55 4.253 -4.177 4.245 1.00 0.00 H new ATOM 0 HB VAL A 55 5.420 -1.979 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.564 -0.801 5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.798 -0.784 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.800 -1.907 6.722 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.664 -2.721 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.910 -3.842 5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.694 -4.091 3.843 1.00 0.00 H new ATOM 867 N SER A 56 3.711 -3.457 7.337 1.00 0.00 N ATOM 868 CA SER A 56 3.789 -4.045 8.661 1.00 0.00 C ATOM 869 C SER A 56 3.051 -5.380 8.759 1.00 0.00 C ATOM 870 O SER A 56 1.916 -5.439 9.240 1.00 0.00 O ATOM 871 CB SER A 56 3.282 -3.076 9.730 1.00 0.00 C ATOM 872 OG SER A 56 3.635 -1.731 9.449 1.00 0.00 O ATOM 0 H SER A 56 3.099 -2.645 7.260 1.00 0.00 H new ATOM 0 HA SER A 56 4.845 -4.246 8.843 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.198 -3.156 9.805 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.691 -3.362 10.699 1.00 0.00 H new ATOM 0 HG SER A 56 3.208 -1.449 8.613 1.00 0.00 H new ATOM 878 N THR A 57 3.714 -6.447 8.318 1.00 0.00 N ATOM 879 CA THR A 57 3.263 -7.821 8.436 1.00 0.00 C ATOM 880 C THR A 57 2.676 -8.107 9.814 1.00 0.00 C ATOM 881 O THR A 57 3.224 -7.706 10.839 1.00 0.00 O ATOM 882 CB THR A 57 4.464 -8.733 8.209 1.00 0.00 C ATOM 883 OG1 THR A 57 5.187 -8.271 7.091 1.00 0.00 O ATOM 884 CG2 THR A 57 4.002 -10.165 7.969 1.00 0.00 C ATOM 0 H THR A 57 4.617 -6.368 7.850 1.00 0.00 H new ATOM 0 HA THR A 57 2.481 -7.998 7.698 1.00 0.00 H new ATOM 0 HB THR A 57 5.101 -8.718 9.093 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.962 -8.852 6.940 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.870 -10.805 7.808 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.446 -10.518 8.837 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.359 -10.197 7.089 1.00 0.00 H new ATOM 892 N GLY A 58 1.539 -8.795 9.836 1.00 0.00 N ATOM 893 CA GLY A 58 0.910 -9.193 11.082 1.00 0.00 C ATOM 894 C GLY A 58 0.017 -8.123 11.705 1.00 0.00 C ATOM 895 O GLY A 58 -0.573 -8.373 12.752 1.00 0.00 O ATOM 0 H GLY A 58 1.035 -9.088 8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.314 -10.089 10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.687 -9.463 11.797 1.00 0.00 H new ATOM 899 N THR A 59 -0.142 -6.950 11.089 1.00 0.00 N ATOM 900 CA THR A 59 -1.040 -5.967 11.668 1.00 0.00 C ATOM 901 C THR A 59 -2.451 -6.365 11.245 1.00 0.00 C ATOM 902 O THR A 59 -2.613 -6.905 10.151 1.00 0.00 O ATOM 903 CB THR A 59 -0.668 -4.564 11.169 1.00 0.00 C ATOM 904 OG1 THR A 59 0.704 -4.304 11.361 1.00 0.00 O ATOM 905 CG2 THR A 59 -1.439 -3.488 11.923 1.00 0.00 C ATOM 0 H THR A 59 0.321 -6.670 10.224 1.00 0.00 H new ATOM 0 HA THR A 59 -0.971 -5.941 12.755 1.00 0.00 H new ATOM 0 HB THR A 59 -0.917 -4.538 10.108 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.230 -4.846 10.737 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.154 -2.505 11.547 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.509 -3.636 11.776 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.207 -3.551 12.986 1.00 0.00 H new ATOM 913 N GLU A 60 -3.473 -6.145 12.075 1.00 0.00 N ATOM 914 CA GLU A 60 -4.820 -6.453 11.629 1.00 0.00 C ATOM 915 C GLU A 60 -5.326 -5.195 10.933 1.00 0.00 C ATOM 916 O GLU A 60 -5.915 -4.272 11.493 1.00 0.00 O ATOM 917 CB GLU A 60 -5.700 -7.025 12.739 1.00 0.00 C ATOM 918 CG GLU A 60 -6.103 -5.981 13.781 1.00 0.00 C ATOM 919 CD GLU A 60 -6.954 -6.580 14.893 1.00 0.00 C ATOM 920 OE1 GLU A 60 -6.846 -7.810 15.095 1.00 0.00 O ATOM 921 OE2 GLU A 60 -7.693 -5.797 15.527 1.00 0.00 O ATOM 0 H GLU A 60 -3.395 -5.770 13.020 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.844 -7.275 10.914 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.599 -7.455 12.297 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.168 -7.838 13.234 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.207 -5.535 14.212 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.657 -5.178 13.294 1.00 0.00 H new ATOM 928 N VAL A 61 -4.955 -5.157 9.670 1.00 0.00 N ATOM 929 CA VAL A 61 -5.143 -4.070 8.759 1.00 0.00 C ATOM 930 C VAL A 61 -6.523 -4.014 8.168 1.00 0.00 C ATOM 931 O VAL A 61 -7.072 -5.014 7.718 1.00 0.00 O ATOM 932 CB VAL A 61 -4.135 -4.179 7.636 1.00 0.00 C ATOM 933 CG1 VAL A 61 -3.322 -2.950 7.876 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.203 -5.387 7.734 1.00 0.00 C ATOM 0 H VAL A 61 -4.481 -5.947 9.231 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.004 -3.154 9.334 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.624 -4.284 6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.532 -2.884 7.128 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.962 -2.071 7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.877 -2.996 8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.515 -5.385 6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.636 -5.335 8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.793 -6.304 7.720 1.00 0.00 H new ATOM 944 N THR A 62 -7.049 -2.805 8.104 1.00 0.00 N ATOM 945 CA THR A 62 -8.366 -2.642 7.562 1.00 0.00 C ATOM 946 C THR A 62 -8.248 -2.228 6.110 1.00 0.00 C ATOM 947 O THR A 62 -8.093 -1.047 5.803 1.00 0.00 O ATOM 948 CB THR A 62 -9.198 -1.679 8.411 1.00 0.00 C ATOM 949 OG1 THR A 62 -8.826 -1.772 9.772 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.663 -2.085 8.295 1.00 0.00 C ATOM 0 H THR A 62 -6.592 -1.948 8.414 1.00 0.00 H new ATOM 0 HA THR A 62 -8.908 -3.587 7.593 1.00 0.00 H new ATOM 0 HB THR A 62 -9.035 -0.660 8.060 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.956 -1.341 9.903 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.276 -1.411 8.893 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.975 -2.029 7.252 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.787 -3.106 8.657 1.00 0.00 H new ATOM 958 N LEU A 63 -8.239 -3.221 5.227 1.00 0.00 N ATOM 959 CA LEU A 63 -8.093 -3.011 3.807 1.00 0.00 C ATOM 960 C LEU A 63 -9.332 -2.315 3.269 1.00 0.00 C ATOM 961 O LEU A 63 -10.441 -2.840 3.339 1.00 0.00 O ATOM 962 CB LEU A 63 -7.781 -4.344 3.133 1.00 0.00 C ATOM 963 CG LEU A 63 -7.267 -4.107 1.720 1.00 0.00 C ATOM 964 CD1 LEU A 63 -6.459 -5.327 1.296 1.00 0.00 C ATOM 965 CD2 LEU A 63 -8.447 -3.903 0.777 1.00 0.00 C ATOM 0 H LEU A 63 -8.335 -4.202 5.489 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.255 -2.351 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.036 -4.888 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.677 -4.964 3.103 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.638 -3.217 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.080 -5.179 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.622 -5.465 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.096 -6.211 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.079 -3.733 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.080 -4.790 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.027 -3.039 1.102 1.00 0.00 H new ATOM 977 N ILE A 64 -9.111 -1.104 2.771 1.00 0.00 N ATOM 978 CA ILE A 64 -10.101 -0.205 2.231 1.00 0.00 C ATOM 979 C ILE A 64 -10.081 -0.205 0.714 1.00 0.00 C ATOM 980 O ILE A 64 -9.040 -0.368 0.082 1.00 0.00 O ATOM 981 CB ILE A 64 -9.795 1.235 2.664 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.829 1.413 4.172 1.00 0.00 C ATOM 983 CG2 ILE A 64 -10.808 2.208 2.057 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.626 2.894 4.466 1.00 0.00 C ATOM 0 H ILE A 64 -8.172 -0.707 2.735 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.069 -0.544 2.601 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.787 1.446 2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.781 1.069 4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.048 0.818 4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.573 3.223 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.762 2.150 0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.811 1.945 2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.645 3.057 5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.664 3.216 4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.424 3.471 3.998 1.00 0.00 H new ATOM 996 N ALA A 65 -11.240 0.075 0.141 1.00 0.00 N ATOM 997 CA ALA A 65 -11.408 0.356 -1.254 1.00 0.00 C ATOM 998 C ALA A 65 -12.449 1.440 -1.312 1.00 0.00 C ATOM 999 O ALA A 65 -13.385 1.468 -0.512 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.824 -0.883 -2.039 1.00 0.00 C ATOM 0 H ALA A 65 -12.115 0.111 0.664 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.474 0.673 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.940 -0.625 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.059 -1.653 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.771 -1.259 -1.651 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.211 2.373 -2.217 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.066 3.508 -2.395 1.00 0.00 C ATOM 1008 C GLN A 66 -13.249 3.743 -3.878 1.00 0.00 C ATOM 1009 O GLN A 66 -12.682 4.668 -4.455 1.00 0.00 O ATOM 1010 CB GLN A 66 -12.413 4.672 -1.665 1.00 0.00 C ATOM 1011 CG GLN A 66 -13.386 5.833 -1.655 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.784 7.125 -2.193 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -12.992 8.188 -1.616 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -12.040 7.064 -3.288 1.00 0.00 N ATOM 0 H GLN A 66 -11.410 2.354 -2.848 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.064 3.367 -1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.155 4.384 -0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.485 4.958 -2.160 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.260 5.571 -2.251 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.734 5.999 -0.635 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.883 6.168 -3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.625 7.914 -3.670 1.00 0.00 H new ATOM 1023 N GLY A 67 -13.981 2.846 -4.518 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.246 2.962 -5.933 1.00 0.00 C ATOM 1025 C GLY A 67 -15.461 2.138 -6.316 1.00 0.00 C ATOM 1026 O GLY A 67 -16.227 1.708 -5.453 1.00 0.00 O ATOM 0 H GLY A 67 -14.401 2.029 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.412 4.007 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.378 2.626 -6.500 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.596 1.876 -7.614 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.711 1.139 -8.168 1.00 0.00 C ATOM 1032 C GLU A 68 -16.831 -0.262 -7.593 1.00 0.00 C ATOM 1033 O GLU A 68 -17.921 -0.823 -7.613 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.553 1.053 -9.682 1.00 0.00 C ATOM 1035 CG GLU A 68 -16.574 2.461 -10.264 1.00 0.00 C ATOM 1036 CD GLU A 68 -16.451 2.424 -11.778 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -17.501 2.225 -12.425 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -15.308 2.592 -12.256 1.00 0.00 O ATOM 0 H GLU A 68 -14.919 2.178 -8.315 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.622 1.676 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.617 0.555 -9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -17.358 0.456 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -17.501 2.961 -9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.756 3.045 -9.843 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.742 -0.864 -7.105 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.908 -2.185 -6.551 1.00 0.00 C ATOM 1047 C ASP A 69 -15.694 -2.103 -5.061 1.00 0.00 C ATOM 1048 O ASP A 69 -15.523 -3.153 -4.473 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.931 -3.188 -7.171 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.883 -3.116 -8.690 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -14.138 -2.242 -9.185 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -15.564 -3.944 -9.329 1.00 0.00 O ATOM 0 H ASP A 69 -14.798 -0.478 -7.086 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.914 -2.540 -6.775 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.933 -3.006 -6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.216 -4.196 -6.870 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.801 -0.912 -4.448 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.346 -0.575 -3.112 1.00 0.00 C ATOM 1059 C GLU A 70 -15.408 -1.768 -2.168 1.00 0.00 C ATOM 1060 O GLU A 70 -14.390 -2.447 -2.025 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.241 0.581 -2.660 1.00 0.00 C ATOM 1062 CG GLU A 70 -15.961 1.099 -1.251 1.00 0.00 C ATOM 1063 CD GLU A 70 -17.238 1.096 -0.427 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.065 0.193 -0.688 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -17.362 1.983 0.443 1.00 0.00 O ATOM 0 H GLU A 70 -16.238 -0.116 -4.913 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.296 -0.284 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.127 1.406 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.281 0.258 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.208 0.476 -0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.554 2.109 -1.301 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.567 -2.044 -1.571 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.770 -3.142 -0.639 1.00 0.00 C ATOM 1074 C GLN A 71 -16.139 -4.459 -1.108 1.00 0.00 C ATOM 1075 O GLN A 71 -15.532 -5.162 -0.303 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.276 -3.287 -0.409 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.606 -4.323 0.666 1.00 0.00 C ATOM 1078 CD GLN A 71 -17.959 -3.966 1.994 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -18.587 -3.382 2.872 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -16.685 -4.303 2.144 1.00 0.00 N ATOM 0 H GLN A 71 -17.410 -1.493 -1.729 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.261 -2.909 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.691 -2.322 -0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.758 -3.572 -1.344 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.687 -4.388 0.792 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -18.262 -5.306 0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -16.194 -4.788 1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.196 -4.077 3.010 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.277 -4.777 -2.394 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.761 -5.981 -3.016 1.00 0.00 C ATOM 1091 C GLU A 72 -14.234 -5.954 -3.083 1.00 0.00 C ATOM 1092 O GLU A 72 -13.569 -6.949 -2.805 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.411 -6.039 -4.404 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.501 -6.441 -5.562 1.00 0.00 C ATOM 1095 CD GLU A 72 -16.291 -6.444 -6.862 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -17.014 -5.447 -7.077 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -16.170 -7.442 -7.603 1.00 0.00 O ATOM 0 H GLU A 72 -16.772 -4.175 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.003 -6.875 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.243 -6.742 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.833 -5.059 -4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.664 -5.747 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.080 -7.430 -5.379 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.689 -4.800 -3.456 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.287 -4.518 -3.599 1.00 0.00 C ATOM 1106 C ALA A 73 -11.611 -4.741 -2.260 1.00 0.00 C ATOM 1107 O ALA A 73 -10.753 -5.613 -2.108 1.00 0.00 O ATOM 1108 CB ALA A 73 -12.220 -3.051 -4.016 1.00 0.00 C ATOM 0 H ALA A 73 -14.266 -3.989 -3.679 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.787 -5.154 -4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.179 -2.757 -4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.756 -2.915 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.678 -2.432 -3.244 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.049 -3.944 -1.288 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.522 -3.966 0.056 1.00 0.00 C ATOM 1116 C LEU A 74 -11.745 -5.320 0.720 1.00 0.00 C ATOM 1117 O LEU A 74 -10.808 -5.856 1.305 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.087 -2.782 0.834 1.00 0.00 C ATOM 1119 CG LEU A 74 -13.609 -2.760 0.857 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.074 -3.022 2.279 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.097 -1.389 0.391 1.00 0.00 C ATOM 0 H LEU A 74 -12.791 -3.258 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.439 -3.847 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -11.714 -2.815 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.722 -1.855 0.391 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.012 -3.525 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.163 -3.010 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -13.712 -3.996 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -13.681 -2.248 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.187 -1.367 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.710 -0.619 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.743 -1.202 -0.623 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.944 -5.900 0.607 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.204 -7.203 1.193 1.00 0.00 C ATOM 1135 C GLU A 75 -12.337 -8.298 0.578 1.00 0.00 C ATOM 1136 O GLU A 75 -11.671 -9.019 1.319 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.684 -7.552 1.096 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.386 -7.009 2.335 1.00 0.00 C ATOM 1139 CD GLU A 75 -16.834 -7.472 2.390 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -17.555 -7.201 1.403 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -17.187 -8.093 3.414 1.00 0.00 O ATOM 0 H GLU A 75 -13.738 -5.486 0.118 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.932 -7.143 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.118 -7.120 0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.816 -8.632 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.860 -7.342 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.349 -5.920 2.330 1.00 0.00 H new ATOM 1148 N LYS A 76 -12.334 -8.442 -0.752 1.00 0.00 N ATOM 1149 CA LYS A 76 -11.540 -9.492 -1.375 1.00 0.00 C ATOM 1150 C LYS A 76 -10.077 -9.330 -0.993 1.00 0.00 C ATOM 1151 O LYS A 76 -9.423 -10.284 -0.582 1.00 0.00 O ATOM 1152 CB LYS A 76 -11.722 -9.509 -2.894 1.00 0.00 C ATOM 1153 CG LYS A 76 -10.915 -8.418 -3.597 1.00 0.00 C ATOM 1154 CD LYS A 76 -10.632 -8.868 -5.028 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.623 -7.930 -5.683 1.00 0.00 C ATOM 1156 NZ LYS A 76 -9.172 -8.465 -6.976 1.00 0.00 N ATOM 0 H LYS A 76 -12.861 -7.857 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.891 -10.455 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.422 -10.483 -3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.779 -9.383 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.469 -7.479 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.981 -8.237 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.245 -9.887 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.557 -8.879 -5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.074 -6.948 -5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.766 -7.793 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.486 -7.810 -7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.722 -9.391 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.989 -8.573 -7.611 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.592 -8.095 -1.116 1.00 0.00 N ATOM 1171 CA LEU A 77 -8.247 -7.726 -0.765 1.00 0.00 C ATOM 1172 C LEU A 77 -7.935 -8.151 0.658 1.00 0.00 C ATOM 1173 O LEU A 77 -7.048 -8.971 0.855 1.00 0.00 O ATOM 1174 CB LEU A 77 -8.148 -6.224 -0.951 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.337 -5.922 -2.197 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.913 -5.922 -1.708 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -7.406 -7.042 -3.221 1.00 0.00 C ATOM 0 H LEU A 77 -10.146 -7.316 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.513 -8.227 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.144 -5.791 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.678 -5.769 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.696 -5.003 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.242 -5.711 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.791 -5.156 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.673 -6.898 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.809 -6.775 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.017 -7.961 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.442 -7.195 -3.524 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.671 -7.638 1.644 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.463 -7.998 3.036 1.00 0.00 C ATOM 1191 C ALA A 78 -8.511 -9.509 3.231 1.00 0.00 C ATOM 1192 O ALA A 78 -7.736 -10.054 4.013 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.506 -7.324 3.918 1.00 0.00 C ATOM 0 H ALA A 78 -9.423 -6.965 1.496 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.471 -7.651 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.338 -7.603 4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.425 -6.242 3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.502 -7.644 3.613 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.409 -10.199 2.528 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.498 -11.640 2.623 1.00 0.00 C ATOM 1201 C ALA A 79 -8.176 -12.253 2.191 1.00 0.00 C ATOM 1202 O ALA A 79 -7.577 -13.038 2.922 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.610 -12.129 1.702 1.00 0.00 C ATOM 0 H ALA A 79 -10.081 -9.775 1.889 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.715 -11.933 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.685 -13.215 1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.557 -11.681 2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.385 -11.841 0.675 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.709 -11.856 1.009 1.00 0.00 N ATOM 1210 CA TYR A 80 -6.543 -12.445 0.403 1.00 0.00 C ATOM 1211 C TYR A 80 -5.235 -12.076 1.084 1.00 0.00 C ATOM 1212 O TYR A 80 -4.440 -12.959 1.374 1.00 0.00 O ATOM 1213 CB TYR A 80 -6.513 -12.038 -1.062 1.00 0.00 C ATOM 1214 CG TYR A 80 -5.315 -12.638 -1.760 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -5.148 -14.033 -1.715 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -4.196 -11.812 -1.967 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -3.861 -14.594 -1.792 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.909 -12.372 -2.056 1.00 0.00 C ATOM 1219 CZ TYR A 80 -2.739 -13.760 -1.927 1.00 0.00 C ATOM 1220 OH TYR A 80 -1.484 -14.283 -1.842 1.00 0.00 O ATOM 0 H TYR A 80 -8.137 -11.115 0.453 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.626 -13.526 0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.429 -12.366 -1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.480 -10.951 -1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.011 -14.676 -1.621 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.325 -10.744 -2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.735 -15.666 -1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.053 -11.736 -2.223 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.512 -15.119 -1.331 1.00 0.00 H new ATOM 1230 N VAL A 81 -5.009 -10.795 1.353 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.765 -10.238 1.868 1.00 0.00 C ATOM 1232 C VAL A 81 -3.277 -10.912 3.140 1.00 0.00 C ATOM 1233 O VAL A 81 -2.091 -10.831 3.470 1.00 0.00 O ATOM 1234 CB VAL A 81 -4.010 -8.757 2.135 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.373 -8.086 0.817 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.193 -8.628 3.094 1.00 0.00 C ATOM 0 H VAL A 81 -5.724 -10.082 1.210 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.984 -10.402 1.126 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.123 -8.292 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.552 -7.024 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.553 -8.207 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.274 -8.546 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.384 -7.574 3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.078 -9.076 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.962 -9.141 4.027 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.207 -11.545 3.850 1.00 0.00 N ATOM 1247 CA GLN A 82 -3.970 -12.203 5.102 1.00 0.00 C ATOM 1248 C GLN A 82 -4.223 -13.712 5.078 1.00 0.00 C ATOM 1249 O GLN A 82 -3.946 -14.395 6.060 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.002 -11.595 6.033 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.426 -12.083 5.761 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.329 -11.592 6.879 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -6.980 -11.702 8.052 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.426 -10.942 6.518 1.00 0.00 N ATOM 0 H GLN A 82 -5.178 -11.608 3.545 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.926 -12.072 5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.735 -11.831 7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.973 -10.510 5.937 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.777 -11.708 4.799 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.449 -13.171 5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.678 -10.875 5.532 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.018 -10.508 7.226 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.757 -14.251 3.983 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.331 -15.590 3.997 1.00 0.00 C ATOM 1265 C GLU A 83 -4.375 -16.780 3.871 1.00 0.00 C ATOM 1266 O GLU A 83 -4.800 -17.861 3.471 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.486 -15.624 2.992 1.00 0.00 C ATOM 1268 CG GLU A 83 -6.091 -15.308 1.545 1.00 0.00 C ATOM 1269 CD GLU A 83 -5.273 -16.397 0.872 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -5.909 -17.326 0.329 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -4.032 -16.262 0.888 1.00 0.00 O ATOM 0 H GLU A 83 -4.803 -13.781 3.079 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.690 -15.753 5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.944 -16.612 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.246 -14.911 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.996 -15.136 0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.521 -14.379 1.530 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.103 -16.617 4.228 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.138 -17.698 4.218 1.00 0.00 C ATOM 1280 C GLU A 84 -0.914 -17.197 4.977 1.00 0.00 C ATOM 1281 O GLU A 84 -1.045 -16.710 6.100 1.00 0.00 O ATOM 1282 CB GLU A 84 -1.876 -18.158 2.776 1.00 0.00 C ATOM 1283 CG GLU A 84 -1.267 -17.088 1.865 1.00 0.00 C ATOM 1284 CD GLU A 84 -1.265 -17.530 0.407 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -1.201 -18.759 0.183 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -1.314 -16.626 -0.458 1.00 0.00 O ATOM 0 H GLU A 84 -2.717 -15.723 4.533 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.494 -18.597 4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.208 -19.019 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.816 -18.495 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.831 -16.161 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.246 -16.876 2.183 1.00 0.00 H new ATOM 1293 N VAL A 85 0.259 -17.256 4.355 1.00 0.00 N ATOM 1294 CA VAL A 85 1.491 -16.707 4.885 1.00 0.00 C ATOM 1295 C VAL A 85 2.343 -16.349 3.671 1.00 0.00 C ATOM 1296 O VAL A 85 2.530 -17.212 2.758 1.00 0.00 O ATOM 1297 CB VAL A 85 2.241 -17.744 5.811 1.00 0.00 C ATOM 1298 CG1 VAL A 85 2.484 -19.156 5.210 1.00 0.00 C ATOM 1299 CG2 VAL A 85 3.630 -17.263 6.297 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.861 -15.194 3.574 1.00 0.00 O ATOM 0 H VAL A 85 0.377 -17.700 3.444 1.00 0.00 H new ATOM 0 HA VAL A 85 1.292 -15.837 5.510 1.00 0.00 H new ATOM 0 HB VAL A 85 1.523 -17.816 6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.006 -19.777 5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.527 -19.615 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.090 -19.068 4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.081 -18.030 6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.272 -17.077 5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.516 -16.343 6.870 1.00 0.00 H new TER 1310 VAL A 85