USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 599 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 33 THR OG1 : rot 77:sc= 0.0986 USER MOD Set 1.2: A 43 MET CE :methyl -172:sc= -6.1! (180deg=-6.56!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0536 USER MOD Single : A 4 GLN : amide:sc= -0.773 K(o=-0.77,f=-3.1!) USER MOD Single : A 16 ASN : amide:sc= 0.214 X(o=0.21,f=-0.002) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.12 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.1 USER MOD Single : A 57 LYS NZ :NH3+ 158:sc= -0.634! (180deg=-1.79!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.675 K(o=0.67,f=-0.039) USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0528) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 73 THR OG1 : rot 96:sc= 1.11 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -2 F(o=-3!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 -12.517 -7.844 0.306 1.00 0.54 N ATOM 24 CA THR A 3 -11.838 -8.809 1.118 1.00 0.48 C ATOM 25 C THR A 3 -10.412 -8.314 1.343 1.00 0.39 C ATOM 26 O THR A 3 -9.746 -7.915 0.387 1.00 0.37 O ATOM 27 CB THR A 3 -11.862 -10.223 0.468 1.00 0.54 C ATOM 28 OG1 THR A 3 -11.288 -10.203 -0.845 1.00 1.05 O ATOM 29 CG2 THR A 3 -13.282 -10.762 0.393 1.00 0.94 C ATOM 0 HA THR A 3 -12.347 -8.912 2.076 1.00 0.48 H new ATOM 0 HB THR A 3 -11.264 -10.879 1.101 1.00 0.54 H new ATOM 0 HG1 THR A 3 -11.315 -11.105 -1.228 1.00 1.05 H new ATOM 0 HG21 THR A 3 -13.272 -11.751 -0.065 1.00 0.94 H new ATOM 0 HG22 THR A 3 -13.698 -10.832 1.398 1.00 0.94 H new ATOM 0 HG23 THR A 3 -13.895 -10.090 -0.208 1.00 0.94 H new ATOM 37 N GLN A 4 -9.972 -8.272 2.610 1.00 0.39 N ATOM 38 CA GLN A 4 -8.650 -7.708 2.976 1.00 0.34 C ATOM 39 C GLN A 4 -7.517 -8.306 2.150 1.00 0.27 C ATOM 40 O GLN A 4 -6.563 -7.628 1.805 1.00 0.25 O ATOM 41 CB GLN A 4 -8.334 -7.910 4.460 1.00 0.47 C ATOM 42 CG GLN A 4 -9.287 -7.227 5.422 1.00 0.63 C ATOM 43 CD GLN A 4 -8.840 -7.347 6.881 1.00 0.81 C ATOM 44 OE1 GLN A 4 -9.121 -6.473 7.697 1.00 1.25 O ATOM 45 NE2 GLN A 4 -8.134 -8.402 7.217 1.00 1.20 N ATOM 0 H GLN A 4 -10.509 -8.621 3.404 1.00 0.39 H new ATOM 0 HA GLN A 4 -8.719 -6.641 2.763 1.00 0.34 H new ATOM 0 HB2 GLN A 4 -8.333 -8.979 4.673 1.00 0.47 H new ATOM 0 HB3 GLN A 4 -7.325 -7.546 4.653 1.00 0.47 H new ATOM 0 HG2 GLN A 4 -9.370 -6.173 5.157 1.00 0.63 H new ATOM 0 HG3 GLN A 4 -10.280 -7.662 5.314 1.00 0.63 H new ATOM 0 HE21 GLN A 4 -7.915 -9.113 6.519 1.00 1.20 H new ATOM 0 HE22 GLN A 4 -7.805 -8.511 8.176 1.00 1.20 H new ATOM 54 N GLU A 5 -7.684 -9.549 1.779 1.00 0.33 N ATOM 55 CA GLU A 5 -6.676 -10.289 1.045 1.00 0.37 C ATOM 56 C GLU A 5 -6.580 -9.749 -0.371 1.00 0.30 C ATOM 57 O GLU A 5 -5.504 -9.622 -0.918 1.00 0.32 O ATOM 58 CB GLU A 5 -6.995 -11.797 0.993 1.00 0.56 C ATOM 59 CG GLU A 5 -7.256 -12.490 2.343 1.00 0.85 C ATOM 60 CD GLU A 5 -8.554 -12.058 2.998 1.00 1.42 C ATOM 61 OE1 GLU A 5 -9.557 -11.814 2.272 1.00 1.67 O ATOM 62 OE2 GLU A 5 -8.594 -11.908 4.225 1.00 2.30 O ATOM 0 H GLU A 5 -8.529 -10.086 1.977 1.00 0.33 H new ATOM 0 HA GLU A 5 -5.727 -10.162 1.566 1.00 0.37 H new ATOM 0 HB2 GLU A 5 -7.872 -11.939 0.361 1.00 0.56 H new ATOM 0 HB3 GLU A 5 -6.164 -12.305 0.504 1.00 0.56 H new ATOM 0 HG2 GLU A 5 -7.275 -13.569 2.192 1.00 0.85 H new ATOM 0 HG3 GLU A 5 -6.428 -12.277 3.019 1.00 0.85 H new ATOM 69 N GLU A 6 -7.723 -9.382 -0.933 1.00 0.31 N ATOM 70 CA GLU A 6 -7.793 -8.853 -2.281 1.00 0.34 C ATOM 71 C GLU A 6 -7.178 -7.469 -2.311 1.00 0.25 C ATOM 72 O GLU A 6 -6.530 -7.071 -3.284 1.00 0.27 O ATOM 73 CB GLU A 6 -9.248 -8.826 -2.744 1.00 0.47 C ATOM 74 CG GLU A 6 -9.474 -8.300 -4.142 1.00 0.57 C ATOM 75 CD GLU A 6 -10.880 -8.540 -4.601 1.00 1.19 C ATOM 76 OE1 GLU A 6 -11.185 -9.626 -5.124 1.00 1.75 O ATOM 77 OE2 GLU A 6 -11.723 -7.617 -4.452 1.00 1.92 O ATOM 0 H GLU A 6 -8.627 -9.444 -0.464 1.00 0.31 H new ATOM 0 HA GLU A 6 -7.232 -9.491 -2.964 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -9.649 -9.838 -2.686 1.00 0.47 H new ATOM 0 HB3 GLU A 6 -9.822 -8.215 -2.047 1.00 0.47 H new ATOM 0 HG2 GLU A 6 -9.259 -7.232 -4.169 1.00 0.57 H new ATOM 0 HG3 GLU A 6 -8.779 -8.782 -4.830 1.00 0.57 H new ATOM 84 N ILE A 7 -7.353 -6.770 -1.217 1.00 0.21 N ATOM 85 CA ILE A 7 -6.806 -5.454 -1.037 1.00 0.19 C ATOM 86 C ILE A 7 -5.283 -5.575 -0.991 1.00 0.18 C ATOM 87 O ILE A 7 -4.576 -4.958 -1.782 1.00 0.21 O ATOM 88 CB ILE A 7 -7.331 -4.852 0.279 1.00 0.20 C ATOM 89 CG1 ILE A 7 -8.866 -4.936 0.311 1.00 0.25 C ATOM 90 CG2 ILE A 7 -6.863 -3.411 0.425 1.00 0.26 C ATOM 91 CD1 ILE A 7 -9.515 -4.312 1.524 1.00 0.29 C ATOM 0 H ILE A 7 -7.888 -7.107 -0.416 1.00 0.21 H new ATOM 0 HA ILE A 7 -7.103 -4.801 -1.858 1.00 0.19 H new ATOM 0 HB ILE A 7 -6.933 -5.422 1.119 1.00 0.20 H new ATOM 0 HG12 ILE A 7 -9.260 -4.452 -0.583 1.00 0.25 H new ATOM 0 HG13 ILE A 7 -9.158 -5.985 0.260 1.00 0.25 H new ATOM 0 HG21 ILE A 7 -7.242 -2.998 1.360 1.00 0.26 H new ATOM 0 HG22 ILE A 7 -5.773 -3.381 0.430 1.00 0.26 H new ATOM 0 HG23 ILE A 7 -7.238 -2.820 -0.411 1.00 0.26 H new ATOM 0 HD11 ILE A 7 -10.597 -4.422 1.455 1.00 0.29 H new ATOM 0 HD12 ILE A 7 -9.157 -4.810 2.425 1.00 0.29 H new ATOM 0 HD13 ILE A 7 -9.260 -3.253 1.569 1.00 0.29 H new ATOM 103 N VAL A 8 -4.798 -6.397 -0.079 1.00 0.18 N ATOM 104 CA VAL A 8 -3.376 -6.671 0.054 1.00 0.20 C ATOM 105 C VAL A 8 -2.774 -7.180 -1.273 1.00 0.23 C ATOM 106 O VAL A 8 -1.692 -6.773 -1.652 1.00 0.26 O ATOM 107 CB VAL A 8 -3.110 -7.667 1.215 1.00 0.23 C ATOM 108 CG1 VAL A 8 -1.668 -8.141 1.221 1.00 0.32 C ATOM 109 CG2 VAL A 8 -3.421 -6.983 2.529 1.00 0.23 C ATOM 0 H VAL A 8 -5.380 -6.896 0.594 1.00 0.18 H new ATOM 0 HA VAL A 8 -2.877 -5.733 0.298 1.00 0.20 H new ATOM 0 HB VAL A 8 -3.750 -8.539 1.076 1.00 0.23 H new ATOM 0 HG11 VAL A 8 -1.517 -8.837 2.046 1.00 0.32 H new ATOM 0 HG12 VAL A 8 -1.446 -8.642 0.279 1.00 0.32 H new ATOM 0 HG13 VAL A 8 -1.004 -7.285 1.342 1.00 0.32 H new ATOM 0 HG21 VAL A 8 -3.237 -7.674 3.351 1.00 0.23 H new ATOM 0 HG22 VAL A 8 -2.783 -6.106 2.643 1.00 0.23 H new ATOM 0 HG23 VAL A 8 -4.467 -6.675 2.540 1.00 0.23 H new ATOM 119 N ALA A 9 -3.515 -8.020 -1.987 1.00 0.24 N ATOM 120 CA ALA A 9 -3.090 -8.546 -3.287 1.00 0.28 C ATOM 121 C ALA A 9 -2.911 -7.420 -4.296 1.00 0.26 C ATOM 122 O ALA A 9 -1.983 -7.452 -5.121 1.00 0.29 O ATOM 123 CB ALA A 9 -4.096 -9.556 -3.810 1.00 0.32 C ATOM 0 H ALA A 9 -4.428 -8.358 -1.684 1.00 0.24 H new ATOM 0 HA ALA A 9 -2.130 -9.044 -3.149 1.00 0.28 H new ATOM 0 HB1 ALA A 9 -3.763 -9.935 -4.776 1.00 0.32 H new ATOM 0 HB2 ALA A 9 -4.181 -10.383 -3.105 1.00 0.32 H new ATOM 0 HB3 ALA A 9 -5.068 -9.076 -3.924 1.00 0.32 H new ATOM 129 N GLY A 10 -3.795 -6.433 -4.227 1.00 0.24 N ATOM 130 CA GLY A 10 -3.700 -5.279 -5.082 1.00 0.25 C ATOM 131 C GLY A 10 -2.489 -4.470 -4.739 1.00 0.25 C ATOM 132 O GLY A 10 -1.753 -4.041 -5.612 1.00 0.31 O ATOM 0 H GLY A 10 -4.585 -6.418 -3.582 1.00 0.24 H new ATOM 0 HA2 GLY A 10 -3.650 -5.595 -6.124 1.00 0.25 H new ATOM 0 HA3 GLY A 10 -4.595 -4.666 -4.977 1.00 0.25 H new ATOM 136 N LEU A 11 -2.274 -4.289 -3.455 1.00 0.21 N ATOM 137 CA LEU A 11 -1.115 -3.582 -2.954 1.00 0.22 C ATOM 138 C LEU A 11 0.144 -4.281 -3.413 1.00 0.23 C ATOM 139 O LEU A 11 1.021 -3.668 -3.995 1.00 0.26 O ATOM 140 CB LEU A 11 -1.137 -3.540 -1.425 1.00 0.22 C ATOM 141 CG LEU A 11 -2.254 -2.736 -0.774 1.00 0.23 C ATOM 142 CD1 LEU A 11 -2.244 -2.960 0.722 1.00 0.28 C ATOM 143 CD2 LEU A 11 -2.080 -1.258 -1.077 1.00 0.29 C ATOM 0 H LEU A 11 -2.900 -4.629 -2.725 1.00 0.21 H new ATOM 0 HA LEU A 11 -1.135 -2.563 -3.340 1.00 0.22 H new ATOM 0 HB2 LEU A 11 -1.198 -4.565 -1.058 1.00 0.22 H new ATOM 0 HB3 LEU A 11 -0.184 -3.136 -1.083 1.00 0.22 H new ATOM 0 HG LEU A 11 -3.210 -3.068 -1.179 1.00 0.23 H new ATOM 0 HD11 LEU A 11 -3.046 -2.382 1.182 1.00 0.28 H new ATOM 0 HD12 LEU A 11 -2.394 -4.019 0.932 1.00 0.28 H new ATOM 0 HD13 LEU A 11 -1.286 -2.641 1.131 1.00 0.28 H new ATOM 0 HD21 LEU A 11 -2.885 -0.693 -0.606 1.00 0.29 H new ATOM 0 HD22 LEU A 11 -1.121 -0.917 -0.687 1.00 0.29 H new ATOM 0 HD23 LEU A 11 -2.110 -1.102 -2.155 1.00 0.29 H new ATOM 155 N ALA A 12 0.173 -5.576 -3.183 1.00 0.21 N ATOM 156 CA ALA A 12 1.280 -6.444 -3.506 1.00 0.22 C ATOM 157 C ALA A 12 1.696 -6.336 -4.959 1.00 0.23 C ATOM 158 O ALA A 12 2.886 -6.254 -5.250 1.00 0.24 O ATOM 159 CB ALA A 12 0.922 -7.871 -3.166 1.00 0.24 C ATOM 0 H ALA A 12 -0.606 -6.071 -2.748 1.00 0.21 H new ATOM 0 HA ALA A 12 2.134 -6.125 -2.909 1.00 0.22 H new ATOM 0 HB1 ALA A 12 1.759 -8.524 -3.411 1.00 0.24 H new ATOM 0 HB2 ALA A 12 0.702 -7.947 -2.101 1.00 0.24 H new ATOM 0 HB3 ALA A 12 0.046 -8.173 -3.740 1.00 0.24 H new ATOM 165 N GLU A 13 0.727 -6.307 -5.867 1.00 0.24 N ATOM 166 CA GLU A 13 1.066 -6.202 -7.288 1.00 0.28 C ATOM 167 C GLU A 13 1.688 -4.850 -7.632 1.00 0.25 C ATOM 168 O GLU A 13 2.696 -4.785 -8.329 1.00 0.33 O ATOM 169 CB GLU A 13 -0.088 -6.596 -8.236 1.00 0.44 C ATOM 170 CG GLU A 13 -1.355 -5.782 -8.095 1.00 0.53 C ATOM 171 CD GLU A 13 -2.379 -6.116 -9.145 1.00 1.02 C ATOM 172 OE1 GLU A 13 -2.243 -5.658 -10.304 1.00 1.23 O ATOM 173 OE2 GLU A 13 -3.320 -6.864 -8.848 1.00 1.46 O ATOM 0 H GLU A 13 -0.270 -6.353 -5.659 1.00 0.24 H new ATOM 0 HA GLU A 13 1.835 -6.954 -7.465 1.00 0.28 H new ATOM 0 HB2 GLU A 13 0.265 -6.511 -9.264 1.00 0.44 H new ATOM 0 HB3 GLU A 13 -0.331 -7.645 -8.068 1.00 0.44 H new ATOM 0 HG2 GLU A 13 -1.784 -5.953 -7.108 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -1.110 -4.722 -8.157 1.00 0.53 H new ATOM 180 N ILE A 14 1.120 -3.797 -7.090 1.00 0.23 N ATOM 181 CA ILE A 14 1.639 -2.441 -7.254 1.00 0.25 C ATOM 182 C ILE A 14 3.052 -2.358 -6.678 1.00 0.22 C ATOM 183 O ILE A 14 3.982 -1.847 -7.320 1.00 0.22 O ATOM 184 CB ILE A 14 0.726 -1.475 -6.495 1.00 0.30 C ATOM 185 CG1 ILE A 14 -0.656 -1.494 -7.114 1.00 0.33 C ATOM 186 CG2 ILE A 14 1.296 -0.063 -6.487 1.00 0.36 C ATOM 187 CD1 ILE A 14 -1.676 -0.824 -6.266 1.00 0.41 C ATOM 0 H ILE A 14 0.278 -3.848 -6.517 1.00 0.23 H new ATOM 0 HA ILE A 14 1.668 -2.180 -8.312 1.00 0.25 H new ATOM 0 HB ILE A 14 0.659 -1.802 -5.457 1.00 0.30 H new ATOM 0 HG12 ILE A 14 -0.620 -1.004 -8.087 1.00 0.33 H new ATOM 0 HG13 ILE A 14 -0.957 -2.527 -7.288 1.00 0.33 H new ATOM 0 HG21 ILE A 14 0.623 0.598 -5.940 1.00 0.36 H new ATOM 0 HG22 ILE A 14 2.273 -0.068 -6.003 1.00 0.36 H new ATOM 0 HG23 ILE A 14 1.400 0.293 -7.512 1.00 0.36 H new ATOM 0 HD11 ILE A 14 -2.646 -0.869 -6.760 1.00 0.41 H new ATOM 0 HD12 ILE A 14 -1.736 -1.329 -5.302 1.00 0.41 H new ATOM 0 HD13 ILE A 14 -1.394 0.218 -6.113 1.00 0.41 H new ATOM 199 N VAL A 15 3.198 -2.850 -5.466 1.00 0.21 N ATOM 200 CA VAL A 15 4.471 -2.874 -4.782 1.00 0.19 C ATOM 201 C VAL A 15 5.487 -3.663 -5.589 1.00 0.18 C ATOM 202 O VAL A 15 6.582 -3.209 -5.792 1.00 0.22 O ATOM 203 CB VAL A 15 4.341 -3.462 -3.350 1.00 0.22 C ATOM 204 CG1 VAL A 15 5.697 -3.592 -2.670 1.00 0.23 C ATOM 205 CG2 VAL A 15 3.445 -2.586 -2.513 1.00 0.29 C ATOM 0 H VAL A 15 2.430 -3.247 -4.925 1.00 0.21 H new ATOM 0 HA VAL A 15 4.816 -1.845 -4.685 1.00 0.19 H new ATOM 0 HB VAL A 15 3.908 -4.458 -3.441 1.00 0.22 H new ATOM 0 HG11 VAL A 15 5.565 -4.007 -1.671 1.00 0.23 H new ATOM 0 HG12 VAL A 15 6.336 -4.253 -3.256 1.00 0.23 H new ATOM 0 HG13 VAL A 15 6.163 -2.609 -2.596 1.00 0.23 H new ATOM 0 HG21 VAL A 15 3.359 -3.006 -1.511 1.00 0.29 H new ATOM 0 HG22 VAL A 15 3.870 -1.584 -2.452 1.00 0.29 H new ATOM 0 HG23 VAL A 15 2.457 -2.534 -2.970 1.00 0.29 H new ATOM 215 N ASN A 16 5.120 -4.812 -6.066 1.00 0.17 N ATOM 216 CA ASN A 16 6.047 -5.630 -6.837 1.00 0.19 C ATOM 217 C ASN A 16 6.442 -4.952 -8.147 1.00 0.22 C ATOM 218 O ASN A 16 7.567 -5.089 -8.614 1.00 0.27 O ATOM 219 CB ASN A 16 5.461 -6.999 -7.103 1.00 0.23 C ATOM 220 CG ASN A 16 6.464 -7.935 -7.725 1.00 0.31 C ATOM 221 OD1 ASN A 16 6.549 -8.065 -8.939 1.00 0.64 O ATOM 222 ND2 ASN A 16 7.250 -8.565 -6.894 1.00 0.29 N ATOM 0 H ASN A 16 4.192 -5.217 -5.944 1.00 0.17 H new ATOM 0 HA ASN A 16 6.951 -5.749 -6.240 1.00 0.19 H new ATOM 0 HB2 ASN A 16 5.099 -7.426 -6.167 1.00 0.23 H new ATOM 0 HB3 ASN A 16 4.599 -6.902 -7.763 1.00 0.23 H new ATOM 0 HD21 ASN A 16 7.969 -9.194 -7.250 1.00 0.29 H new ATOM 0 HD22 ASN A 16 7.145 -8.428 -5.889 1.00 0.29 H new ATOM 229 N GLU A 17 5.530 -4.196 -8.693 1.00 0.23 N ATOM 230 CA GLU A 17 5.750 -3.481 -9.927 1.00 0.29 C ATOM 231 C GLU A 17 6.717 -2.288 -9.715 1.00 0.30 C ATOM 232 O GLU A 17 7.708 -2.150 -10.421 1.00 0.44 O ATOM 233 CB GLU A 17 4.405 -2.979 -10.454 1.00 0.38 C ATOM 234 CG GLU A 17 4.434 -2.462 -11.873 1.00 0.63 C ATOM 235 CD GLU A 17 4.802 -3.542 -12.854 1.00 1.21 C ATOM 236 OE1 GLU A 17 3.974 -4.402 -13.148 1.00 1.48 O ATOM 237 OE2 GLU A 17 5.949 -3.558 -13.341 1.00 2.00 O ATOM 0 H GLU A 17 4.603 -4.055 -8.292 1.00 0.23 H new ATOM 0 HA GLU A 17 6.207 -4.155 -10.651 1.00 0.29 H new ATOM 0 HB2 GLU A 17 3.681 -3.791 -10.393 1.00 0.38 H new ATOM 0 HB3 GLU A 17 4.048 -2.184 -9.800 1.00 0.38 H new ATOM 0 HG2 GLU A 17 3.457 -2.054 -12.131 1.00 0.63 H new ATOM 0 HG3 GLU A 17 5.151 -1.644 -11.947 1.00 0.63 H new ATOM 244 N ILE A 18 6.421 -1.452 -8.730 1.00 0.23 N ATOM 245 CA ILE A 18 7.194 -0.222 -8.493 1.00 0.25 C ATOM 246 C ILE A 18 8.384 -0.465 -7.552 1.00 0.25 C ATOM 247 O ILE A 18 9.535 -0.149 -7.873 1.00 0.28 O ATOM 248 CB ILE A 18 6.273 0.822 -7.824 1.00 0.25 C ATOM 249 CG1 ILE A 18 5.083 1.129 -8.719 1.00 0.27 C ATOM 250 CG2 ILE A 18 7.053 2.095 -7.547 1.00 0.28 C ATOM 251 CD1 ILE A 18 3.969 1.872 -8.043 1.00 0.28 C ATOM 0 H ILE A 18 5.651 -1.596 -8.076 1.00 0.23 H new ATOM 0 HA ILE A 18 7.571 0.124 -9.455 1.00 0.25 H new ATOM 0 HB ILE A 18 5.906 0.413 -6.883 1.00 0.25 H new ATOM 0 HG12 ILE A 18 5.428 1.714 -9.572 1.00 0.27 H new ATOM 0 HG13 ILE A 18 4.690 0.192 -9.113 1.00 0.27 H new ATOM 0 HG21 ILE A 18 6.398 2.828 -7.075 1.00 0.28 H new ATOM 0 HG22 ILE A 18 7.888 1.873 -6.882 1.00 0.28 H new ATOM 0 HG23 ILE A 18 7.434 2.500 -8.485 1.00 0.28 H new ATOM 0 HD11 ILE A 18 3.163 2.048 -8.756 1.00 0.28 H new ATOM 0 HD12 ILE A 18 3.592 1.282 -7.208 1.00 0.28 H new ATOM 0 HD13 ILE A 18 4.341 2.828 -7.673 1.00 0.28 H new ATOM 263 N ALA A 19 8.090 -1.016 -6.404 1.00 0.23 N ATOM 264 CA ALA A 19 9.070 -1.255 -5.372 1.00 0.26 C ATOM 265 C ALA A 19 9.917 -2.471 -5.736 1.00 0.26 C ATOM 266 O ALA A 19 11.131 -2.483 -5.558 1.00 0.34 O ATOM 267 CB ALA A 19 8.340 -1.492 -4.054 1.00 0.28 C ATOM 0 H ALA A 19 7.148 -1.317 -6.154 1.00 0.23 H new ATOM 0 HA ALA A 19 9.730 -0.393 -5.274 1.00 0.26 H new ATOM 0 HB1 ALA A 19 9.067 -1.674 -3.263 1.00 0.28 H new ATOM 0 HB2 ALA A 19 7.745 -0.613 -3.804 1.00 0.28 H new ATOM 0 HB3 ALA A 19 7.685 -2.358 -4.151 1.00 0.28 H new ATOM 273 N GLY A 20 9.266 -3.476 -6.268 1.00 0.23 N ATOM 274 CA GLY A 20 9.944 -4.692 -6.643 1.00 0.26 C ATOM 275 C GLY A 20 9.973 -5.678 -5.507 1.00 0.29 C ATOM 276 O GLY A 20 10.797 -6.569 -5.471 1.00 0.46 O ATOM 0 H GLY A 20 8.263 -3.475 -6.452 1.00 0.23 H new ATOM 0 HA2 GLY A 20 9.444 -5.139 -7.502 1.00 0.26 H new ATOM 0 HA3 GLY A 20 10.963 -4.461 -6.952 1.00 0.26 H new ATOM 280 N ILE A 21 9.070 -5.515 -4.576 1.00 0.27 N ATOM 281 CA ILE A 21 9.025 -6.382 -3.421 1.00 0.30 C ATOM 282 C ILE A 21 8.005 -7.496 -3.667 1.00 0.28 C ATOM 283 O ILE A 21 6.917 -7.223 -4.177 1.00 0.28 O ATOM 284 CB ILE A 21 8.655 -5.588 -2.126 1.00 0.32 C ATOM 285 CG1 ILE A 21 9.637 -4.423 -1.891 1.00 0.37 C ATOM 286 CG2 ILE A 21 8.618 -6.499 -0.899 1.00 0.36 C ATOM 287 CD1 ILE A 21 11.088 -4.842 -1.724 1.00 0.42 C ATOM 0 H ILE A 21 8.353 -4.789 -4.592 1.00 0.27 H new ATOM 0 HA ILE A 21 10.015 -6.813 -3.271 1.00 0.30 H new ATOM 0 HB ILE A 21 7.656 -5.179 -2.275 1.00 0.32 H new ATOM 0 HG12 ILE A 21 9.567 -3.731 -2.730 1.00 0.37 H new ATOM 0 HG13 ILE A 21 9.326 -3.877 -1.001 1.00 0.37 H new ATOM 0 HG21 ILE A 21 8.358 -5.912 -0.018 1.00 0.36 H new ATOM 0 HG22 ILE A 21 7.873 -7.280 -1.048 1.00 0.36 H new ATOM 0 HG23 ILE A 21 9.597 -6.955 -0.755 1.00 0.36 H new ATOM 0 HD11 ILE A 21 11.706 -3.958 -1.564 1.00 0.42 H new ATOM 0 HD12 ILE A 21 11.178 -5.508 -0.866 1.00 0.42 H new ATOM 0 HD13 ILE A 21 11.423 -5.360 -2.623 1.00 0.42 H new ATOM 299 N PRO A 22 8.406 -8.771 -3.416 1.00 0.31 N ATOM 300 CA PRO A 22 7.565 -9.960 -3.484 1.00 0.34 C ATOM 301 C PRO A 22 6.119 -9.735 -3.133 1.00 0.30 C ATOM 302 O PRO A 22 5.783 -9.252 -2.043 1.00 0.28 O ATOM 303 CB PRO A 22 8.222 -10.907 -2.466 1.00 0.39 C ATOM 304 CG PRO A 22 9.547 -10.285 -2.120 1.00 0.41 C ATOM 305 CD PRO A 22 9.764 -9.175 -3.100 1.00 0.36 C ATOM 0 HA PRO A 22 7.518 -10.339 -4.505 1.00 0.34 H new ATOM 0 HB2 PRO A 22 7.599 -11.019 -1.578 1.00 0.39 H new ATOM 0 HB3 PRO A 22 8.356 -11.903 -2.889 1.00 0.39 H new ATOM 0 HG2 PRO A 22 9.542 -9.905 -1.098 1.00 0.41 H new ATOM 0 HG3 PRO A 22 10.349 -11.020 -2.183 1.00 0.41 H new ATOM 0 HD2 PRO A 22 10.341 -8.358 -2.667 1.00 0.36 H new ATOM 0 HD3 PRO A 22 10.304 -9.513 -3.984 1.00 0.36 H new ATOM 313 N VAL A 23 5.274 -10.139 -4.061 1.00 0.31 N ATOM 314 CA VAL A 23 3.831 -10.049 -3.952 1.00 0.29 C ATOM 315 C VAL A 23 3.382 -10.842 -2.738 1.00 0.29 C ATOM 316 O VAL A 23 2.434 -10.476 -2.047 1.00 0.42 O ATOM 317 CB VAL A 23 3.156 -10.648 -5.234 1.00 0.36 C ATOM 318 CG1 VAL A 23 1.635 -10.606 -5.163 1.00 0.69 C ATOM 319 CG2 VAL A 23 3.635 -9.934 -6.479 1.00 0.41 C ATOM 0 H VAL A 23 5.583 -10.553 -4.941 1.00 0.31 H new ATOM 0 HA VAL A 23 3.540 -9.003 -3.851 1.00 0.29 H new ATOM 0 HB VAL A 23 3.455 -11.695 -5.283 1.00 0.36 H new ATOM 0 HG11 VAL A 23 1.216 -11.032 -6.075 1.00 0.69 H new ATOM 0 HG12 VAL A 23 1.295 -11.183 -4.303 1.00 0.69 H new ATOM 0 HG13 VAL A 23 1.304 -9.573 -5.060 1.00 0.69 H new ATOM 0 HG21 VAL A 23 3.153 -10.367 -7.355 1.00 0.41 H new ATOM 0 HG22 VAL A 23 3.382 -8.876 -6.412 1.00 0.41 H new ATOM 0 HG23 VAL A 23 4.716 -10.044 -6.568 1.00 0.41 H new ATOM 329 N GLU A 24 4.099 -11.904 -2.453 1.00 0.31 N ATOM 330 CA GLU A 24 3.725 -12.736 -1.358 1.00 0.36 C ATOM 331 C GLU A 24 4.362 -12.315 -0.029 1.00 0.35 C ATOM 332 O GLU A 24 3.921 -12.754 1.036 1.00 0.48 O ATOM 333 CB GLU A 24 3.945 -14.219 -1.627 1.00 0.55 C ATOM 334 CG GLU A 24 5.386 -14.608 -1.860 1.00 1.41 C ATOM 335 CD GLU A 24 5.563 -16.099 -1.867 1.00 1.82 C ATOM 336 OE1 GLU A 24 5.684 -16.706 -0.785 1.00 2.34 O ATOM 337 OE2 GLU A 24 5.593 -16.691 -2.974 1.00 2.01 O ATOM 0 H GLU A 24 4.931 -12.201 -2.962 1.00 0.31 H new ATOM 0 HA GLU A 24 2.650 -12.586 -1.256 1.00 0.36 H new ATOM 0 HB2 GLU A 24 3.560 -14.789 -0.781 1.00 0.55 H new ATOM 0 HB3 GLU A 24 3.359 -14.508 -2.499 1.00 0.55 H new ATOM 0 HG2 GLU A 24 5.725 -14.197 -2.811 1.00 1.41 H new ATOM 0 HG3 GLU A 24 6.012 -14.171 -1.082 1.00 1.41 H new ATOM 344 N ASP A 25 5.374 -11.462 -0.079 1.00 0.30 N ATOM 345 CA ASP A 25 6.042 -11.036 1.161 1.00 0.32 C ATOM 346 C ASP A 25 5.287 -9.855 1.731 1.00 0.29 C ATOM 347 O ASP A 25 5.389 -9.516 2.914 1.00 0.32 O ATOM 348 CB ASP A 25 7.509 -10.683 0.919 1.00 0.38 C ATOM 349 CG ASP A 25 8.320 -10.698 2.194 1.00 0.46 C ATOM 350 OD1 ASP A 25 8.560 -11.800 2.732 1.00 0.69 O ATOM 351 OD2 ASP A 25 8.765 -9.640 2.661 1.00 0.53 O ATOM 0 H ASP A 25 5.750 -11.055 -0.936 1.00 0.30 H new ATOM 0 HA ASP A 25 6.034 -11.860 1.874 1.00 0.32 H new ATOM 0 HB2 ASP A 25 7.938 -11.390 0.209 1.00 0.38 H new ATOM 0 HB3 ASP A 25 7.572 -9.695 0.462 1.00 0.38 H new ATOM 356 N VAL A 26 4.515 -9.244 0.858 1.00 0.27 N ATOM 357 CA VAL A 26 3.579 -8.200 1.189 1.00 0.27 C ATOM 358 C VAL A 26 2.388 -8.835 1.932 1.00 0.29 C ATOM 359 O VAL A 26 1.436 -9.347 1.336 1.00 0.37 O ATOM 360 CB VAL A 26 3.143 -7.446 -0.115 1.00 0.29 C ATOM 361 CG1 VAL A 26 1.908 -6.589 0.094 1.00 0.40 C ATOM 362 CG2 VAL A 26 4.284 -6.555 -0.584 1.00 0.38 C ATOM 0 H VAL A 26 4.525 -9.471 -0.136 1.00 0.27 H new ATOM 0 HA VAL A 26 4.033 -7.457 1.845 1.00 0.27 H new ATOM 0 HB VAL A 26 2.901 -8.202 -0.862 1.00 0.29 H new ATOM 0 HG11 VAL A 26 1.650 -6.089 -0.840 1.00 0.40 H new ATOM 0 HG12 VAL A 26 1.077 -7.219 0.410 1.00 0.40 H new ATOM 0 HG13 VAL A 26 2.109 -5.842 0.862 1.00 0.40 H new ATOM 0 HG21 VAL A 26 3.986 -6.029 -1.491 1.00 0.38 H new ATOM 0 HG22 VAL A 26 4.523 -5.830 0.194 1.00 0.38 H new ATOM 0 HG23 VAL A 26 5.162 -7.167 -0.792 1.00 0.38 H new ATOM 372 N LYS A 27 2.573 -8.956 3.224 1.00 0.33 N ATOM 373 CA LYS A 27 1.594 -9.529 4.123 1.00 0.38 C ATOM 374 C LYS A 27 0.778 -8.415 4.753 1.00 0.43 C ATOM 375 O LYS A 27 0.160 -7.648 4.030 1.00 0.98 O ATOM 376 CB LYS A 27 2.335 -10.400 5.142 1.00 0.57 C ATOM 377 CG LYS A 27 3.153 -11.479 4.450 1.00 0.47 C ATOM 378 CD LYS A 27 4.016 -12.280 5.393 1.00 0.96 C ATOM 379 CE LYS A 27 4.738 -13.382 4.635 1.00 1.16 C ATOM 380 NZ LYS A 27 5.755 -14.062 5.458 1.00 1.67 N ATOM 0 H LYS A 27 3.427 -8.653 3.693 1.00 0.33 H new ATOM 0 HA LYS A 27 0.884 -10.169 3.599 1.00 0.38 H new ATOM 0 HB2 LYS A 27 2.991 -9.776 5.749 1.00 0.57 H new ATOM 0 HB3 LYS A 27 1.617 -10.862 5.820 1.00 0.57 H new ATOM 0 HG2 LYS A 27 2.478 -12.155 3.926 1.00 0.47 H new ATOM 0 HG3 LYS A 27 3.788 -11.014 3.696 1.00 0.47 H new ATOM 0 HD2 LYS A 27 4.741 -11.627 5.878 1.00 0.96 H new ATOM 0 HD3 LYS A 27 3.401 -12.714 6.181 1.00 0.96 H new ATOM 0 HE2 LYS A 27 4.010 -14.114 4.285 1.00 1.16 H new ATOM 0 HE3 LYS A 27 5.215 -12.958 3.751 1.00 1.16 H new ATOM 0 HZ1 LYS A 27 6.218 -14.804 4.895 1.00 1.67 H new ATOM 0 HZ2 LYS A 27 6.466 -13.371 5.772 1.00 1.67 H new ATOM 0 HZ3 LYS A 27 5.299 -14.491 6.288 1.00 1.67 H new ATOM 394 N LEU A 28 0.753 -8.306 6.071 1.00 0.37 N ATOM 395 CA LEU A 28 0.036 -7.200 6.709 1.00 0.37 C ATOM 396 C LEU A 28 0.878 -6.441 7.739 1.00 0.41 C ATOM 397 O LEU A 28 0.759 -5.223 7.876 1.00 0.55 O ATOM 398 CB LEU A 28 -1.311 -7.611 7.307 1.00 0.51 C ATOM 399 CG LEU A 28 -2.518 -7.678 6.357 1.00 0.47 C ATOM 400 CD1 LEU A 28 -2.496 -8.889 5.452 1.00 1.08 C ATOM 401 CD2 LEU A 28 -3.798 -7.607 7.138 1.00 0.99 C ATOM 0 H LEU A 28 1.209 -8.953 6.715 1.00 0.37 H new ATOM 0 HA LEU A 28 -0.171 -6.511 5.890 1.00 0.37 H new ATOM 0 HB2 LEU A 28 -1.190 -8.592 7.767 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -1.551 -6.911 8.107 1.00 0.51 H new ATOM 0 HG LEU A 28 -2.453 -6.812 5.699 1.00 0.47 H new ATOM 0 HD11 LEU A 28 -3.374 -8.877 4.807 1.00 1.08 H new ATOM 0 HD12 LEU A 28 -1.595 -8.869 4.839 1.00 1.08 H new ATOM 0 HD13 LEU A 28 -2.503 -9.796 6.057 1.00 1.08 H new ATOM 0 HD21 LEU A 28 -4.645 -7.655 6.454 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -3.846 -8.444 7.835 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -3.834 -6.670 7.694 1.00 0.99 H new ATOM 413 N ASP A 29 1.782 -7.141 8.385 1.00 0.41 N ATOM 414 CA ASP A 29 2.640 -6.573 9.455 1.00 0.51 C ATOM 415 C ASP A 29 3.822 -5.853 8.825 1.00 0.45 C ATOM 416 O ASP A 29 4.593 -5.136 9.474 1.00 0.63 O ATOM 417 CB ASP A 29 3.134 -7.725 10.363 1.00 0.66 C ATOM 418 CG ASP A 29 4.061 -7.297 11.491 1.00 1.43 C ATOM 419 OD1 ASP A 29 3.566 -6.925 12.586 1.00 1.81 O ATOM 420 OD2 ASP A 29 5.297 -7.335 11.314 1.00 2.11 O ATOM 0 H ASP A 29 1.961 -8.128 8.198 1.00 0.41 H new ATOM 0 HA ASP A 29 2.074 -5.860 10.054 1.00 0.51 H new ATOM 0 HB2 ASP A 29 2.267 -8.226 10.794 1.00 0.66 H new ATOM 0 HB3 ASP A 29 3.651 -8.459 9.745 1.00 0.66 H new ATOM 425 N LYS A 30 3.907 -6.007 7.542 1.00 0.31 N ATOM 426 CA LYS A 30 5.004 -5.509 6.775 1.00 0.30 C ATOM 427 C LYS A 30 4.902 -4.025 6.521 1.00 0.28 C ATOM 428 O LYS A 30 4.065 -3.562 5.742 1.00 0.35 O ATOM 429 CB LYS A 30 5.099 -6.244 5.453 1.00 0.33 C ATOM 430 CG LYS A 30 5.685 -7.646 5.526 1.00 0.37 C ATOM 431 CD LYS A 30 7.174 -7.586 5.842 1.00 0.38 C ATOM 432 CE LYS A 30 7.863 -8.924 5.613 1.00 0.48 C ATOM 433 NZ LYS A 30 7.542 -9.941 6.637 1.00 1.02 N ATOM 0 H LYS A 30 3.202 -6.492 6.987 1.00 0.31 H new ATOM 0 HA LYS A 30 5.906 -5.684 7.362 1.00 0.30 H new ATOM 0 HB2 LYS A 30 4.101 -6.308 5.020 1.00 0.33 H new ATOM 0 HB3 LYS A 30 5.706 -5.650 4.769 1.00 0.33 H new ATOM 0 HG2 LYS A 30 5.168 -8.223 6.292 1.00 0.37 H new ATOM 0 HG3 LYS A 30 5.529 -8.162 4.578 1.00 0.37 H new ATOM 0 HD2 LYS A 30 7.646 -6.825 5.220 1.00 0.38 H new ATOM 0 HD3 LYS A 30 7.312 -7.281 6.879 1.00 0.38 H new ATOM 0 HE2 LYS A 30 7.578 -9.306 4.633 1.00 0.48 H new ATOM 0 HE3 LYS A 30 8.942 -8.769 5.594 1.00 0.48 H new ATOM 0 HZ1 LYS A 30 8.045 -10.825 6.418 1.00 1.02 H new ATOM 0 HZ2 LYS A 30 7.838 -9.597 7.573 1.00 1.02 H new ATOM 0 HZ3 LYS A 30 6.517 -10.118 6.641 1.00 1.02 H new ATOM 447 N SER A 31 5.689 -3.275 7.210 1.00 0.26 N ATOM 448 CA SER A 31 5.816 -1.912 6.925 1.00 0.28 C ATOM 449 C SER A 31 6.594 -1.791 5.629 1.00 0.43 C ATOM 450 O SER A 31 7.720 -2.283 5.553 1.00 1.05 O ATOM 451 CB SER A 31 6.583 -1.261 8.038 1.00 0.28 C ATOM 452 OG SER A 31 6.007 -1.548 9.300 1.00 1.16 O ATOM 0 H SER A 31 6.260 -3.603 7.989 1.00 0.26 H new ATOM 0 HA SER A 31 4.842 -1.431 6.830 1.00 0.28 H new ATOM 0 HB2 SER A 31 7.616 -1.607 8.021 1.00 0.28 H new ATOM 0 HB3 SER A 31 6.606 -0.182 7.884 1.00 0.28 H new ATOM 0 HG SER A 31 6.530 -1.112 10.005 1.00 1.16 H new ATOM 458 N PHE A 32 5.951 -1.267 4.613 1.00 0.26 N ATOM 459 CA PHE A 32 6.556 -0.999 3.294 1.00 0.25 C ATOM 460 C PHE A 32 8.029 -0.557 3.355 1.00 0.26 C ATOM 461 O PHE A 32 8.934 -1.370 3.218 1.00 0.32 O ATOM 462 CB PHE A 32 5.783 0.067 2.560 1.00 0.32 C ATOM 463 CG PHE A 32 4.413 -0.310 2.143 1.00 0.26 C ATOM 464 CD1 PHE A 32 4.179 -0.995 0.966 1.00 0.33 C ATOM 465 CD2 PHE A 32 3.358 0.004 2.956 1.00 0.26 C ATOM 466 CE1 PHE A 32 2.897 -1.362 0.612 1.00 0.36 C ATOM 467 CE2 PHE A 32 2.074 -0.355 2.605 1.00 0.28 C ATOM 468 CZ PHE A 32 1.872 -0.986 1.297 1.00 0.32 C ATOM 0 H PHE A 32 4.967 -1.002 4.664 1.00 0.26 H new ATOM 0 HA PHE A 32 6.516 -1.954 2.769 1.00 0.25 H new ATOM 0 HB2 PHE A 32 5.720 0.949 3.197 1.00 0.32 H new ATOM 0 HB3 PHE A 32 6.348 0.354 1.673 1.00 0.32 H new ATOM 0 HD1 PHE A 32 5.006 -1.245 0.318 1.00 0.33 H new ATOM 0 HD2 PHE A 32 3.532 0.537 3.879 1.00 0.26 H new ATOM 0 HE1 PHE A 32 2.749 -1.980 -0.261 1.00 0.36 H new ATOM 0 HE2 PHE A 32 1.244 -0.177 3.272 1.00 0.28 H new ATOM 0 HZ PHE A 32 0.874 -1.134 0.911 1.00 0.32 H new ATOM 478 N THR A 33 8.262 0.700 3.559 1.00 0.27 N ATOM 479 CA THR A 33 9.596 1.244 3.634 1.00 0.31 C ATOM 480 C THR A 33 10.248 1.103 5.021 1.00 0.33 C ATOM 481 O THR A 33 10.911 2.014 5.512 1.00 0.47 O ATOM 482 CB THR A 33 9.524 2.685 3.201 1.00 0.37 C ATOM 483 OG1 THR A 33 8.116 3.061 3.183 1.00 0.47 O ATOM 484 CG2 THR A 33 10.114 2.806 1.816 1.00 0.39 C ATOM 0 H THR A 33 7.525 1.395 3.681 1.00 0.27 H new ATOM 0 HA THR A 33 10.243 0.669 2.972 1.00 0.31 H new ATOM 0 HB THR A 33 10.079 3.336 3.876 1.00 0.37 H new ATOM 0 HG1 THR A 33 7.806 3.214 4.100 1.00 0.47 H new ATOM 0 HG21 THR A 33 10.068 3.845 1.490 1.00 0.39 H new ATOM 0 HG22 THR A 33 11.153 2.477 1.833 1.00 0.39 H new ATOM 0 HG23 THR A 33 9.547 2.183 1.124 1.00 0.39 H new ATOM 492 N ASP A 34 10.127 -0.075 5.597 1.00 0.34 N ATOM 493 CA ASP A 34 10.707 -0.359 6.901 1.00 0.39 C ATOM 494 C ASP A 34 10.988 -1.840 7.045 1.00 0.42 C ATOM 495 O ASP A 34 12.130 -2.255 7.130 1.00 0.57 O ATOM 496 CB ASP A 34 9.766 0.100 8.023 1.00 0.43 C ATOM 497 CG ASP A 34 10.264 -0.241 9.433 1.00 0.59 C ATOM 498 OD1 ASP A 34 10.147 -1.412 9.869 1.00 0.73 O ATOM 499 OD2 ASP A 34 10.734 0.665 10.139 1.00 0.72 O ATOM 0 H ASP A 34 9.628 -0.861 5.181 1.00 0.34 H new ATOM 0 HA ASP A 34 11.645 0.190 6.980 1.00 0.39 H new ATOM 0 HB2 ASP A 34 9.628 1.179 7.949 1.00 0.43 H new ATOM 0 HB3 ASP A 34 8.788 -0.358 7.873 1.00 0.43 H new ATOM 504 N ASP A 35 9.934 -2.632 7.016 1.00 0.36 N ATOM 505 CA ASP A 35 10.038 -4.065 7.254 1.00 0.43 C ATOM 506 C ASP A 35 10.304 -4.772 5.944 1.00 0.44 C ATOM 507 O ASP A 35 11.154 -5.656 5.867 1.00 0.58 O ATOM 508 CB ASP A 35 8.759 -4.594 7.913 1.00 0.48 C ATOM 509 CG ASP A 35 9.014 -5.817 8.764 1.00 0.95 C ATOM 510 OD1 ASP A 35 9.946 -5.823 9.571 1.00 1.46 O ATOM 511 OD2 ASP A 35 8.327 -6.832 8.565 1.00 1.34 O ATOM 0 H ASP A 35 8.986 -2.307 6.828 1.00 0.36 H new ATOM 0 HA ASP A 35 10.867 -4.260 7.935 1.00 0.43 H new ATOM 0 HB2 ASP A 35 8.320 -3.810 8.530 1.00 0.48 H new ATOM 0 HB3 ASP A 35 8.029 -4.837 7.141 1.00 0.48 H new ATOM 516 N LEU A 36 9.573 -4.364 4.902 1.00 0.36 N ATOM 517 CA LEU A 36 9.838 -4.851 3.548 1.00 0.39 C ATOM 518 C LEU A 36 11.139 -4.219 3.110 1.00 0.46 C ATOM 519 O LEU A 36 12.080 -4.904 2.724 1.00 0.58 O ATOM 520 CB LEU A 36 8.719 -4.432 2.574 1.00 0.35 C ATOM 521 CG LEU A 36 7.342 -5.050 2.790 1.00 0.33 C ATOM 522 CD1 LEU A 36 6.322 -4.379 1.887 1.00 0.35 C ATOM 523 CD2 LEU A 36 7.387 -6.535 2.488 1.00 0.34 C ATOM 0 H LEU A 36 8.799 -3.703 4.970 1.00 0.36 H new ATOM 0 HA LEU A 36 9.887 -5.940 3.544 1.00 0.39 H new ATOM 0 HB2 LEU A 36 8.615 -3.348 2.625 1.00 0.35 H new ATOM 0 HB3 LEU A 36 9.043 -4.674 1.562 1.00 0.35 H new ATOM 0 HG LEU A 36 7.052 -4.903 3.830 1.00 0.33 H new ATOM 0 HD11 LEU A 36 5.342 -4.828 2.049 1.00 0.35 H new ATOM 0 HD12 LEU A 36 6.276 -3.315 2.117 1.00 0.35 H new ATOM 0 HD13 LEU A 36 6.615 -4.513 0.846 1.00 0.35 H new ATOM 0 HD21 LEU A 36 6.399 -6.968 2.645 1.00 0.34 H new ATOM 0 HD22 LEU A 36 7.689 -6.687 1.452 1.00 0.34 H new ATOM 0 HD23 LEU A 36 8.105 -7.019 3.150 1.00 0.34 H new ATOM 535 N ASP A 37 11.153 -2.883 3.203 1.00 0.41 N ATOM 536 CA ASP A 37 12.319 -2.043 2.971 1.00 0.52 C ATOM 537 C ASP A 37 12.675 -1.955 1.507 1.00 0.63 C ATOM 538 O ASP A 37 13.429 -2.777 0.973 1.00 0.85 O ATOM 539 CB ASP A 37 13.513 -2.459 3.858 1.00 0.75 C ATOM 540 CG ASP A 37 14.783 -1.691 3.572 1.00 0.91 C ATOM 541 OD1 ASP A 37 14.747 -0.446 3.592 1.00 1.02 O ATOM 542 OD2 ASP A 37 15.838 -2.304 3.344 1.00 1.14 O ATOM 0 H ASP A 37 10.322 -2.346 3.450 1.00 0.41 H new ATOM 0 HA ASP A 37 12.052 -1.031 3.275 1.00 0.52 H new ATOM 0 HB2 ASP A 37 13.242 -2.318 4.904 1.00 0.75 H new ATOM 0 HB3 ASP A 37 13.704 -3.523 3.718 1.00 0.75 H new ATOM 547 N VAL A 38 12.041 -1.024 0.825 1.00 0.56 N ATOM 548 CA VAL A 38 12.351 -0.803 -0.556 1.00 0.80 C ATOM 549 C VAL A 38 13.035 0.566 -0.835 1.00 0.70 C ATOM 550 O VAL A 38 14.254 0.654 -0.781 1.00 0.96 O ATOM 551 CB VAL A 38 11.138 -1.089 -1.473 1.00 1.06 C ATOM 552 CG1 VAL A 38 9.864 -0.360 -1.027 1.00 0.89 C ATOM 553 CG2 VAL A 38 11.490 -0.794 -2.921 1.00 1.79 C ATOM 0 H VAL A 38 11.316 -0.417 1.207 1.00 0.56 H new ATOM 0 HA VAL A 38 13.113 -1.538 -0.817 1.00 0.80 H new ATOM 0 HB VAL A 38 10.908 -2.151 -1.386 1.00 1.06 H new ATOM 0 HG11 VAL A 38 9.049 -0.601 -1.710 1.00 0.89 H new ATOM 0 HG12 VAL A 38 9.598 -0.676 -0.018 1.00 0.89 H new ATOM 0 HG13 VAL A 38 10.039 0.716 -1.036 1.00 0.89 H new ATOM 0 HG21 VAL A 38 10.627 -1.000 -3.554 1.00 1.79 H new ATOM 0 HG22 VAL A 38 11.772 0.254 -3.021 1.00 1.79 H new ATOM 0 HG23 VAL A 38 12.324 -1.425 -3.228 1.00 1.79 H new ATOM 563 N ASP A 39 12.269 1.620 -1.105 1.00 0.50 N ATOM 564 CA ASP A 39 12.841 2.901 -1.496 1.00 0.50 C ATOM 565 C ASP A 39 11.822 3.988 -1.239 1.00 0.53 C ATOM 566 O ASP A 39 10.640 3.706 -1.033 1.00 0.78 O ATOM 567 CB ASP A 39 13.186 2.916 -2.989 1.00 0.56 C ATOM 568 CG ASP A 39 14.129 4.035 -3.390 1.00 0.66 C ATOM 569 OD1 ASP A 39 15.349 3.841 -3.347 1.00 0.79 O ATOM 570 OD2 ASP A 39 13.654 5.138 -3.751 1.00 0.69 O ATOM 0 H ASP A 39 11.250 1.610 -1.060 1.00 0.50 H new ATOM 0 HA ASP A 39 13.750 3.064 -0.917 1.00 0.50 H new ATOM 0 HB2 ASP A 39 13.637 1.960 -3.258 1.00 0.56 H new ATOM 0 HB3 ASP A 39 12.265 3.007 -3.564 1.00 0.56 H new ATOM 575 N SER A 40 12.257 5.180 -1.406 1.00 0.59 N ATOM 576 CA SER A 40 11.541 6.371 -1.076 1.00 0.68 C ATOM 577 C SER A 40 10.604 6.771 -2.198 1.00 0.64 C ATOM 578 O SER A 40 9.393 6.893 -2.002 1.00 0.71 O ATOM 579 CB SER A 40 12.556 7.477 -0.819 1.00 0.90 C ATOM 580 OG SER A 40 11.901 8.761 -0.679 1.00 1.23 O ATOM 0 H SER A 40 13.178 5.371 -1.800 1.00 0.59 H new ATOM 0 HA SER A 40 10.933 6.198 -0.188 1.00 0.68 H new ATOM 0 HB2 SER A 40 13.122 7.253 0.085 1.00 0.90 H new ATOM 0 HB3 SER A 40 13.271 7.517 -1.641 1.00 0.90 H new ATOM 0 HG SER A 40 12.573 9.455 -0.513 1.00 1.23 H new ATOM 585 N LEU A 41 11.143 6.898 -3.391 1.00 0.60 N ATOM 586 CA LEU A 41 10.357 7.407 -4.504 1.00 0.64 C ATOM 587 C LEU A 41 9.390 6.366 -4.959 1.00 0.54 C ATOM 588 O LEU A 41 8.287 6.676 -5.418 1.00 0.60 O ATOM 589 CB LEU A 41 11.221 7.869 -5.678 1.00 0.75 C ATOM 590 CG LEU A 41 12.238 8.975 -5.402 1.00 0.89 C ATOM 591 CD1 LEU A 41 12.876 9.423 -6.701 1.00 1.02 C ATOM 592 CD2 LEU A 41 11.596 10.156 -4.690 1.00 1.02 C ATOM 0 H LEU A 41 12.109 6.661 -3.618 1.00 0.60 H new ATOM 0 HA LEU A 41 9.819 8.284 -4.142 1.00 0.64 H new ATOM 0 HB2 LEU A 41 11.759 7.003 -6.063 1.00 0.75 H new ATOM 0 HB3 LEU A 41 10.557 8.211 -6.472 1.00 0.75 H new ATOM 0 HG LEU A 41 13.008 8.573 -4.744 1.00 0.89 H new ATOM 0 HD11 LEU A 41 13.600 10.212 -6.498 1.00 1.02 H new ATOM 0 HD12 LEU A 41 13.381 8.578 -7.168 1.00 1.02 H new ATOM 0 HD13 LEU A 41 12.106 9.802 -7.373 1.00 1.02 H new ATOM 0 HD21 LEU A 41 12.348 10.924 -4.509 1.00 1.02 H new ATOM 0 HD22 LEU A 41 10.800 10.566 -5.311 1.00 1.02 H new ATOM 0 HD23 LEU A 41 11.180 9.825 -3.739 1.00 1.02 H new ATOM 604 N SER A 42 9.770 5.125 -4.750 1.00 0.43 N ATOM 605 CA SER A 42 8.960 4.015 -5.124 1.00 0.38 C ATOM 606 C SER A 42 7.733 3.977 -4.232 1.00 0.30 C ATOM 607 O SER A 42 6.668 3.569 -4.649 1.00 0.33 O ATOM 608 CB SER A 42 9.766 2.733 -4.975 1.00 0.39 C ATOM 609 OG SER A 42 10.999 2.832 -5.673 1.00 1.02 O ATOM 0 H SER A 42 10.655 4.869 -4.313 1.00 0.43 H new ATOM 0 HA SER A 42 8.643 4.111 -6.162 1.00 0.38 H new ATOM 0 HB2 SER A 42 9.955 2.537 -3.920 1.00 0.39 H new ATOM 0 HB3 SER A 42 9.192 1.890 -5.359 1.00 0.39 H new ATOM 0 HG SER A 42 11.504 1.999 -5.564 1.00 1.02 H new ATOM 615 N MET A 43 7.886 4.493 -3.028 1.00 0.26 N ATOM 616 CA MET A 43 6.836 4.482 -2.059 1.00 0.26 C ATOM 617 C MET A 43 5.739 5.450 -2.455 1.00 0.25 C ATOM 618 O MET A 43 4.560 5.133 -2.384 1.00 0.26 O ATOM 619 CB MET A 43 7.396 4.831 -0.697 1.00 0.35 C ATOM 620 CG MET A 43 6.439 4.515 0.408 1.00 0.48 C ATOM 621 SD MET A 43 5.757 2.855 0.216 1.00 0.55 S ATOM 622 CE MET A 43 7.258 1.911 0.070 1.00 0.52 C ATOM 0 H MET A 43 8.749 4.930 -2.705 1.00 0.26 H new ATOM 0 HA MET A 43 6.402 3.483 -2.014 1.00 0.26 H new ATOM 0 HB2 MET A 43 8.325 4.284 -0.538 1.00 0.35 H new ATOM 0 HB3 MET A 43 7.642 5.892 -0.669 1.00 0.35 H new ATOM 0 HG2 MET A 43 6.948 4.594 1.369 1.00 0.48 H new ATOM 0 HG3 MET A 43 5.630 5.246 0.414 1.00 0.48 H new ATOM 0 HE1 MET A 43 7.016 0.882 -0.197 1.00 0.52 H new ATOM 0 HE2 MET A 43 7.889 2.348 -0.704 1.00 0.52 H new ATOM 0 HE3 MET A 43 7.790 1.924 1.021 1.00 0.52 H new ATOM 632 N VAL A 44 6.144 6.600 -2.952 1.00 0.29 N ATOM 633 CA VAL A 44 5.231 7.628 -3.378 1.00 0.33 C ATOM 634 C VAL A 44 4.485 7.149 -4.620 1.00 0.26 C ATOM 635 O VAL A 44 3.288 7.380 -4.760 1.00 0.28 O ATOM 636 CB VAL A 44 5.979 8.955 -3.669 1.00 0.47 C ATOM 637 CG1 VAL A 44 5.002 10.063 -4.030 1.00 0.55 C ATOM 638 CG2 VAL A 44 6.832 9.366 -2.470 1.00 0.56 C ATOM 0 H VAL A 44 7.127 6.845 -3.071 1.00 0.29 H new ATOM 0 HA VAL A 44 4.518 7.824 -2.577 1.00 0.33 H new ATOM 0 HB VAL A 44 6.637 8.790 -4.522 1.00 0.47 H new ATOM 0 HG11 VAL A 44 5.552 10.983 -4.229 1.00 0.55 H new ATOM 0 HG12 VAL A 44 4.440 9.777 -4.919 1.00 0.55 H new ATOM 0 HG13 VAL A 44 4.313 10.225 -3.201 1.00 0.55 H new ATOM 0 HG21 VAL A 44 7.349 10.299 -2.694 1.00 0.56 H new ATOM 0 HG22 VAL A 44 6.192 9.506 -1.599 1.00 0.56 H new ATOM 0 HG23 VAL A 44 7.565 8.587 -2.261 1.00 0.56 H new ATOM 648 N GLU A 45 5.192 6.421 -5.491 1.00 0.24 N ATOM 649 CA GLU A 45 4.587 5.868 -6.675 1.00 0.22 C ATOM 650 C GLU A 45 3.529 4.837 -6.293 1.00 0.19 C ATOM 651 O GLU A 45 2.502 4.732 -6.963 1.00 0.21 O ATOM 652 CB GLU A 45 5.636 5.231 -7.569 1.00 0.29 C ATOM 653 CG GLU A 45 6.676 6.184 -8.121 1.00 0.47 C ATOM 654 CD GLU A 45 6.078 7.255 -8.983 1.00 1.18 C ATOM 655 OE1 GLU A 45 5.396 6.921 -9.989 1.00 1.25 O ATOM 656 OE2 GLU A 45 6.235 8.445 -8.645 1.00 2.08 O ATOM 0 H GLU A 45 6.184 6.209 -5.385 1.00 0.24 H new ATOM 0 HA GLU A 45 4.111 6.679 -7.226 1.00 0.22 H new ATOM 0 HB2 GLU A 45 6.145 4.449 -7.005 1.00 0.29 H new ATOM 0 HB3 GLU A 45 5.132 4.745 -8.404 1.00 0.29 H new ATOM 0 HG2 GLU A 45 7.214 6.647 -7.294 1.00 0.47 H new ATOM 0 HG3 GLU A 45 7.407 5.621 -8.702 1.00 0.47 H new ATOM 663 N VAL A 46 3.798 4.070 -5.218 1.00 0.20 N ATOM 664 CA VAL A 46 2.842 3.091 -4.688 1.00 0.22 C ATOM 665 C VAL A 46 1.574 3.810 -4.265 1.00 0.25 C ATOM 666 O VAL A 46 0.491 3.393 -4.632 1.00 0.31 O ATOM 667 CB VAL A 46 3.428 2.273 -3.484 1.00 0.27 C ATOM 668 CG1 VAL A 46 2.367 1.366 -2.860 1.00 0.52 C ATOM 669 CG2 VAL A 46 4.602 1.422 -3.938 1.00 0.49 C ATOM 0 H VAL A 46 4.676 4.114 -4.701 1.00 0.20 H new ATOM 0 HA VAL A 46 2.623 2.375 -5.480 1.00 0.22 H new ATOM 0 HB VAL A 46 3.763 2.991 -2.736 1.00 0.27 H new ATOM 0 HG11 VAL A 46 2.804 0.813 -2.029 1.00 0.52 H new ATOM 0 HG12 VAL A 46 1.538 1.973 -2.496 1.00 0.52 H new ATOM 0 HG13 VAL A 46 2.001 0.665 -3.610 1.00 0.52 H new ATOM 0 HG21 VAL A 46 4.995 0.862 -3.089 1.00 0.49 H new ATOM 0 HG22 VAL A 46 4.271 0.727 -4.709 1.00 0.49 H new ATOM 0 HG23 VAL A 46 5.384 2.066 -4.341 1.00 0.49 H new ATOM 679 N VAL A 47 1.736 4.895 -3.505 1.00 0.25 N ATOM 680 CA VAL A 47 0.618 5.752 -3.070 1.00 0.28 C ATOM 681 C VAL A 47 -0.234 6.125 -4.282 1.00 0.27 C ATOM 682 O VAL A 47 -1.404 5.738 -4.373 1.00 0.30 O ATOM 683 CB VAL A 47 1.162 7.063 -2.434 1.00 0.31 C ATOM 684 CG1 VAL A 47 0.027 7.970 -1.976 1.00 0.38 C ATOM 685 CG2 VAL A 47 2.099 6.755 -1.283 1.00 0.32 C ATOM 0 H VAL A 47 2.647 5.210 -3.170 1.00 0.25 H new ATOM 0 HA VAL A 47 0.024 5.206 -2.337 1.00 0.28 H new ATOM 0 HB VAL A 47 1.724 7.595 -3.202 1.00 0.31 H new ATOM 0 HG11 VAL A 47 0.441 8.877 -1.536 1.00 0.38 H new ATOM 0 HG12 VAL A 47 -0.596 8.233 -2.831 1.00 0.38 H new ATOM 0 HG13 VAL A 47 -0.577 7.450 -1.233 1.00 0.38 H new ATOM 0 HG21 VAL A 47 2.467 7.687 -0.854 1.00 0.32 H new ATOM 0 HG22 VAL A 47 1.564 6.190 -0.519 1.00 0.32 H new ATOM 0 HG23 VAL A 47 2.941 6.166 -1.647 1.00 0.32 H new ATOM 695 N VAL A 48 0.386 6.853 -5.209 1.00 0.25 N ATOM 696 CA VAL A 48 -0.259 7.277 -6.470 1.00 0.28 C ATOM 697 C VAL A 48 -0.984 6.094 -7.166 1.00 0.28 C ATOM 698 O VAL A 48 -2.181 6.183 -7.479 1.00 0.31 O ATOM 699 CB VAL A 48 0.793 7.874 -7.455 1.00 0.35 C ATOM 700 CG1 VAL A 48 0.137 8.327 -8.757 1.00 0.56 C ATOM 701 CG2 VAL A 48 1.530 9.036 -6.814 1.00 0.58 C ATOM 0 H VAL A 48 1.351 7.171 -5.116 1.00 0.25 H new ATOM 0 HA VAL A 48 -0.995 8.038 -6.211 1.00 0.28 H new ATOM 0 HB VAL A 48 1.510 7.087 -7.688 1.00 0.35 H new ATOM 0 HG11 VAL A 48 0.896 8.738 -9.423 1.00 0.56 H new ATOM 0 HG12 VAL A 48 -0.344 7.475 -9.238 1.00 0.56 H new ATOM 0 HG13 VAL A 48 -0.610 9.091 -8.542 1.00 0.56 H new ATOM 0 HG21 VAL A 48 2.259 9.437 -7.518 1.00 0.58 H new ATOM 0 HG22 VAL A 48 0.817 9.816 -6.546 1.00 0.58 H new ATOM 0 HG23 VAL A 48 2.044 8.690 -5.917 1.00 0.58 H new ATOM 711 N ALA A 49 -0.263 5.006 -7.400 1.00 0.29 N ATOM 712 CA ALA A 49 -0.813 3.842 -8.094 1.00 0.34 C ATOM 713 C ALA A 49 -1.952 3.179 -7.319 1.00 0.36 C ATOM 714 O ALA A 49 -2.906 2.702 -7.915 1.00 0.42 O ATOM 715 CB ALA A 49 0.270 2.831 -8.410 1.00 0.38 C ATOM 0 H ALA A 49 0.712 4.902 -7.118 1.00 0.29 H new ATOM 0 HA ALA A 49 -1.232 4.212 -9.030 1.00 0.34 H new ATOM 0 HB1 ALA A 49 -0.169 1.977 -8.926 1.00 0.38 H new ATOM 0 HB2 ALA A 49 1.023 3.292 -9.048 1.00 0.38 H new ATOM 0 HB3 ALA A 49 0.736 2.495 -7.484 1.00 0.38 H new ATOM 721 N ALA A 50 -1.862 3.166 -5.998 1.00 0.34 N ATOM 722 CA ALA A 50 -2.898 2.570 -5.155 1.00 0.37 C ATOM 723 C ALA A 50 -4.219 3.294 -5.339 1.00 0.36 C ATOM 724 O ALA A 50 -5.280 2.663 -5.437 1.00 0.38 O ATOM 725 CB ALA A 50 -2.488 2.573 -3.689 1.00 0.38 C ATOM 0 H ALA A 50 -1.078 3.563 -5.480 1.00 0.34 H new ATOM 0 HA ALA A 50 -3.023 1.533 -5.466 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.279 2.124 -3.089 1.00 0.38 H new ATOM 0 HB2 ALA A 50 -1.569 1.999 -3.567 1.00 0.38 H new ATOM 0 HB3 ALA A 50 -2.321 3.599 -3.360 1.00 0.38 H new ATOM 731 N GLU A 51 -4.147 4.607 -5.449 1.00 0.36 N ATOM 732 CA GLU A 51 -5.317 5.442 -5.656 1.00 0.39 C ATOM 733 C GLU A 51 -6.007 5.078 -6.974 1.00 0.42 C ATOM 734 O GLU A 51 -7.240 5.065 -7.088 1.00 0.53 O ATOM 735 CB GLU A 51 -4.902 6.902 -5.696 1.00 0.37 C ATOM 736 CG GLU A 51 -4.150 7.376 -4.468 1.00 0.47 C ATOM 737 CD GLU A 51 -3.838 8.849 -4.512 1.00 0.94 C ATOM 738 OE1 GLU A 51 -2.883 9.246 -5.183 1.00 1.36 O ATOM 739 OE2 GLU A 51 -4.567 9.650 -3.887 1.00 1.11 O ATOM 0 H GLU A 51 -3.271 5.128 -5.397 1.00 0.36 H new ATOM 0 HA GLU A 51 -6.012 5.277 -4.833 1.00 0.39 H new ATOM 0 HB2 GLU A 51 -4.277 7.065 -6.574 1.00 0.37 H new ATOM 0 HB3 GLU A 51 -5.794 7.517 -5.820 1.00 0.37 H new ATOM 0 HG2 GLU A 51 -4.742 7.160 -3.578 1.00 0.47 H new ATOM 0 HG3 GLU A 51 -3.220 6.814 -4.376 1.00 0.47 H new ATOM 746 N GLU A 52 -5.195 4.753 -7.942 1.00 0.40 N ATOM 747 CA GLU A 52 -5.626 4.404 -9.277 1.00 0.48 C ATOM 748 C GLU A 52 -6.167 2.959 -9.314 1.00 0.43 C ATOM 749 O GLU A 52 -7.171 2.671 -9.961 1.00 0.55 O ATOM 750 CB GLU A 52 -4.409 4.557 -10.206 1.00 0.61 C ATOM 751 CG GLU A 52 -4.620 4.219 -11.670 1.00 0.77 C ATOM 752 CD GLU A 52 -5.629 5.092 -12.357 1.00 1.23 C ATOM 753 OE1 GLU A 52 -5.448 6.326 -12.359 1.00 1.49 O ATOM 754 OE2 GLU A 52 -6.642 4.578 -12.860 1.00 2.09 O ATOM 0 H GLU A 52 -4.182 4.721 -7.825 1.00 0.40 H new ATOM 0 HA GLU A 52 -6.436 5.057 -9.601 1.00 0.48 H new ATOM 0 HB2 GLU A 52 -4.060 5.588 -10.142 1.00 0.61 H new ATOM 0 HB3 GLU A 52 -3.608 3.925 -9.823 1.00 0.61 H new ATOM 0 HG2 GLU A 52 -3.667 4.302 -12.193 1.00 0.77 H new ATOM 0 HG3 GLU A 52 -4.939 3.180 -11.750 1.00 0.77 H new ATOM 761 N ARG A 53 -5.527 2.083 -8.576 1.00 0.34 N ATOM 762 CA ARG A 53 -5.827 0.662 -8.617 1.00 0.34 C ATOM 763 C ARG A 53 -7.045 0.300 -7.774 1.00 0.31 C ATOM 764 O ARG A 53 -7.839 -0.559 -8.151 1.00 0.44 O ATOM 765 CB ARG A 53 -4.612 -0.132 -8.126 1.00 0.40 C ATOM 766 CG ARG A 53 -4.750 -1.639 -8.244 1.00 0.53 C ATOM 767 CD ARG A 53 -4.884 -2.041 -9.688 1.00 0.70 C ATOM 768 NE ARG A 53 -5.060 -3.476 -9.851 1.00 1.27 N ATOM 769 CZ ARG A 53 -5.430 -4.072 -10.978 1.00 1.88 C ATOM 770 NH1 ARG A 53 -5.915 -3.354 -11.996 1.00 2.23 N ATOM 771 NH2 ARG A 53 -5.364 -5.398 -11.066 1.00 2.75 N ATOM 0 H ARG A 53 -4.781 2.331 -7.927 1.00 0.34 H new ATOM 0 HA ARG A 53 -6.057 0.407 -9.651 1.00 0.34 H new ATOM 0 HB2 ARG A 53 -3.735 0.184 -8.691 1.00 0.40 H new ATOM 0 HB3 ARG A 53 -4.427 0.122 -7.082 1.00 0.40 H new ATOM 0 HG2 ARG A 53 -3.880 -2.126 -7.803 1.00 0.53 H new ATOM 0 HG3 ARG A 53 -5.622 -1.976 -7.683 1.00 0.53 H new ATOM 0 HD2 ARG A 53 -5.734 -1.521 -10.129 1.00 0.70 H new ATOM 0 HD3 ARG A 53 -3.997 -1.722 -10.235 1.00 0.70 H new ATOM 0 HE ARG A 53 -4.886 -4.068 -9.039 1.00 1.27 H new ATOM 0 HH11 ARG A 53 -6.003 -2.341 -11.910 1.00 2.23 H new ATOM 0 HH12 ARG A 53 -6.197 -3.819 -12.859 1.00 2.23 H new ATOM 0 HH21 ARG A 53 -5.032 -5.946 -10.272 1.00 2.75 H new ATOM 0 HH22 ARG A 53 -5.646 -5.867 -11.927 1.00 2.75 H new ATOM 785 N PHE A 54 -7.176 0.938 -6.641 1.00 0.25 N ATOM 786 CA PHE A 54 -8.239 0.608 -5.702 1.00 0.31 C ATOM 787 C PHE A 54 -9.421 1.555 -5.812 1.00 0.32 C ATOM 788 O PHE A 54 -10.445 1.345 -5.149 1.00 0.36 O ATOM 789 CB PHE A 54 -7.711 0.650 -4.276 1.00 0.38 C ATOM 790 CG PHE A 54 -6.678 -0.380 -3.925 1.00 0.38 C ATOM 791 CD1 PHE A 54 -5.390 -0.281 -4.416 1.00 0.62 C ATOM 792 CD2 PHE A 54 -7.001 -1.467 -3.142 1.00 0.69 C ATOM 793 CE1 PHE A 54 -4.458 -1.246 -4.127 1.00 0.63 C ATOM 794 CE2 PHE A 54 -6.072 -2.425 -2.855 1.00 0.73 C ATOM 795 CZ PHE A 54 -4.762 -2.220 -3.209 1.00 0.46 C ATOM 0 H PHE A 54 -6.562 1.694 -6.337 1.00 0.25 H new ATOM 0 HA PHE A 54 -8.581 -0.396 -5.954 1.00 0.31 H new ATOM 0 HB2 PHE A 54 -7.286 1.638 -4.096 1.00 0.38 H new ATOM 0 HB3 PHE A 54 -8.554 0.537 -3.594 1.00 0.38 H new ATOM 0 HD1 PHE A 54 -5.115 0.562 -5.032 1.00 0.62 H new ATOM 0 HD2 PHE A 54 -8.003 -1.562 -2.750 1.00 0.69 H new ATOM 0 HE1 PHE A 54 -3.495 -1.239 -4.617 1.00 0.63 H new ATOM 0 HE2 PHE A 54 -6.365 -3.336 -2.354 1.00 0.73 H new ATOM 0 HZ PHE A 54 -3.978 -2.819 -2.770 1.00 0.46 H new ATOM 805 N ASP A 55 -9.257 2.613 -6.619 1.00 0.38 N ATOM 806 CA ASP A 55 -10.289 3.668 -6.827 1.00 0.45 C ATOM 807 C ASP A 55 -10.524 4.500 -5.577 1.00 0.50 C ATOM 808 O ASP A 55 -11.494 5.246 -5.486 1.00 0.89 O ATOM 809 CB ASP A 55 -11.627 3.113 -7.366 1.00 0.51 C ATOM 810 CG ASP A 55 -11.584 2.763 -8.830 1.00 1.10 C ATOM 811 OD1 ASP A 55 -11.121 1.653 -9.175 1.00 2.02 O ATOM 812 OD2 ASP A 55 -11.991 3.588 -9.674 1.00 1.24 O ATOM 0 H ASP A 55 -8.403 2.772 -7.154 1.00 0.38 H new ATOM 0 HA ASP A 55 -9.877 4.320 -7.597 1.00 0.45 H new ATOM 0 HB2 ASP A 55 -11.899 2.225 -6.796 1.00 0.51 H new ATOM 0 HB3 ASP A 55 -12.411 3.851 -7.200 1.00 0.51 H new ATOM 817 N VAL A 56 -9.616 4.406 -4.647 1.00 0.40 N ATOM 818 CA VAL A 56 -9.702 5.151 -3.423 1.00 0.48 C ATOM 819 C VAL A 56 -8.502 6.065 -3.315 1.00 0.67 C ATOM 820 O VAL A 56 -7.350 5.626 -3.391 1.00 1.61 O ATOM 821 CB VAL A 56 -9.833 4.223 -2.169 1.00 0.50 C ATOM 822 CG1 VAL A 56 -8.703 3.213 -2.068 1.00 1.07 C ATOM 823 CG2 VAL A 56 -9.925 5.047 -0.893 1.00 1.21 C ATOM 0 H VAL A 56 -8.792 3.808 -4.717 1.00 0.40 H new ATOM 0 HA VAL A 56 -10.612 5.751 -3.446 1.00 0.48 H new ATOM 0 HB VAL A 56 -10.757 3.658 -2.294 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -8.845 2.596 -1.180 1.00 1.07 H new ATOM 0 HG12 VAL A 56 -8.702 2.579 -2.954 1.00 1.07 H new ATOM 0 HG13 VAL A 56 -7.751 3.738 -1.997 1.00 1.07 H new ATOM 0 HG21 VAL A 56 -10.015 4.381 -0.035 1.00 1.21 H new ATOM 0 HG22 VAL A 56 -9.027 5.655 -0.787 1.00 1.21 H new ATOM 0 HG23 VAL A 56 -10.799 5.696 -0.942 1.00 1.21 H new ATOM 833 N LYS A 57 -8.780 7.323 -3.229 1.00 0.51 N ATOM 834 CA LYS A 57 -7.766 8.331 -3.124 1.00 0.49 C ATOM 835 C LYS A 57 -7.160 8.329 -1.741 1.00 0.40 C ATOM 836 O LYS A 57 -7.752 8.837 -0.795 1.00 0.52 O ATOM 837 CB LYS A 57 -8.338 9.723 -3.450 1.00 0.67 C ATOM 838 CG LYS A 57 -8.759 9.902 -4.904 1.00 1.22 C ATOM 839 CD LYS A 57 -7.563 9.850 -5.863 1.00 1.26 C ATOM 840 CE LYS A 57 -6.738 11.154 -5.916 1.00 1.28 C ATOM 841 NZ LYS A 57 -6.154 11.565 -4.622 1.00 1.67 N ATOM 0 H LYS A 57 -9.732 7.690 -3.229 1.00 0.51 H new ATOM 0 HA LYS A 57 -6.986 8.101 -3.850 1.00 0.49 H new ATOM 0 HB2 LYS A 57 -9.200 9.908 -2.809 1.00 0.67 H new ATOM 0 HB3 LYS A 57 -7.590 10.477 -3.205 1.00 0.67 H new ATOM 0 HG2 LYS A 57 -9.472 9.123 -5.173 1.00 1.22 H new ATOM 0 HG3 LYS A 57 -9.272 10.857 -5.017 1.00 1.22 H new ATOM 0 HD2 LYS A 57 -6.908 9.031 -5.566 1.00 1.26 H new ATOM 0 HD3 LYS A 57 -7.925 9.621 -6.865 1.00 1.26 H new ATOM 0 HE2 LYS A 57 -5.933 11.030 -6.640 1.00 1.28 H new ATOM 0 HE3 LYS A 57 -7.376 11.958 -6.283 1.00 1.28 H new ATOM 0 HZ1 LYS A 57 -5.345 12.196 -4.791 1.00 1.67 H new ATOM 0 HZ2 LYS A 57 -6.872 12.066 -4.061 1.00 1.67 H new ATOM 0 HZ3 LYS A 57 -5.834 10.723 -4.102 1.00 1.67 H new ATOM 855 N ILE A 58 -6.042 7.686 -1.617 1.00 0.37 N ATOM 856 CA ILE A 58 -5.287 7.703 -0.401 1.00 0.33 C ATOM 857 C ILE A 58 -4.208 8.743 -0.600 1.00 0.32 C ATOM 858 O ILE A 58 -3.207 8.472 -1.257 1.00 0.35 O ATOM 859 CB ILE A 58 -4.601 6.350 -0.119 1.00 0.33 C ATOM 860 CG1 ILE A 58 -5.566 5.185 -0.356 1.00 0.39 C ATOM 861 CG2 ILE A 58 -4.107 6.332 1.325 1.00 0.38 C ATOM 862 CD1 ILE A 58 -4.928 3.826 -0.193 1.00 0.49 C ATOM 0 H ILE A 58 -5.623 7.130 -2.362 1.00 0.37 H new ATOM 0 HA ILE A 58 -5.950 7.914 0.438 1.00 0.33 H new ATOM 0 HB ILE A 58 -3.759 6.233 -0.801 1.00 0.33 H new ATOM 0 HG12 ILE A 58 -6.402 5.270 0.339 1.00 0.39 H new ATOM 0 HG13 ILE A 58 -5.978 5.265 -1.362 1.00 0.39 H new ATOM 0 HG21 ILE A 58 -3.621 5.378 1.531 1.00 0.38 H new ATOM 0 HG22 ILE A 58 -3.394 7.143 1.476 1.00 0.38 H new ATOM 0 HG23 ILE A 58 -4.953 6.462 2.000 1.00 0.38 H new ATOM 0 HD11 ILE A 58 -5.672 3.051 -0.376 1.00 0.49 H new ATOM 0 HD12 ILE A 58 -4.110 3.720 -0.906 1.00 0.49 H new ATOM 0 HD13 ILE A 58 -4.541 3.725 0.821 1.00 0.49 H new ATOM 874 N PRO A 59 -4.407 9.953 -0.097 1.00 0.39 N ATOM 875 CA PRO A 59 -3.492 11.040 -0.355 1.00 0.44 C ATOM 876 C PRO A 59 -2.141 10.842 0.299 1.00 0.37 C ATOM 877 O PRO A 59 -2.057 10.349 1.418 1.00 0.39 O ATOM 878 CB PRO A 59 -4.192 12.257 0.227 1.00 0.62 C ATOM 879 CG PRO A 59 -5.116 11.709 1.259 1.00 0.57 C ATOM 880 CD PRO A 59 -5.523 10.354 0.777 1.00 0.50 C ATOM 0 HA PRO A 59 -3.276 11.129 -1.420 1.00 0.44 H new ATOM 0 HB2 PRO A 59 -3.476 12.952 0.666 1.00 0.62 H new ATOM 0 HB3 PRO A 59 -4.738 12.804 -0.542 1.00 0.62 H new ATOM 0 HG2 PRO A 59 -4.623 11.645 2.229 1.00 0.57 H new ATOM 0 HG3 PRO A 59 -5.985 12.354 1.385 1.00 0.57 H new ATOM 0 HD2 PRO A 59 -5.656 9.657 1.604 1.00 0.50 H new ATOM 0 HD3 PRO A 59 -6.467 10.388 0.233 1.00 0.50 H new ATOM 888 N ASP A 60 -1.100 11.230 -0.426 1.00 0.39 N ATOM 889 CA ASP A 60 0.312 11.216 -0.016 1.00 0.46 C ATOM 890 C ASP A 60 0.515 11.676 1.429 1.00 0.50 C ATOM 891 O ASP A 60 1.375 11.179 2.121 1.00 0.63 O ATOM 892 CB ASP A 60 1.111 12.152 -0.927 1.00 0.64 C ATOM 893 CG ASP A 60 1.031 11.815 -2.404 1.00 1.34 C ATOM 894 OD1 ASP A 60 -0.090 11.751 -2.944 1.00 2.00 O ATOM 895 OD2 ASP A 60 2.101 11.564 -3.038 1.00 1.93 O ATOM 0 H ASP A 60 -1.218 11.586 -1.375 1.00 0.39 H new ATOM 0 HA ASP A 60 0.654 10.184 -0.095 1.00 0.46 H new ATOM 0 HB2 ASP A 60 0.755 13.172 -0.781 1.00 0.64 H new ATOM 0 HB3 ASP A 60 2.156 12.132 -0.619 1.00 0.64 H new ATOM 900 N ASP A 61 -0.275 12.620 1.868 1.00 0.51 N ATOM 901 CA ASP A 61 -0.174 13.126 3.222 1.00 0.63 C ATOM 902 C ASP A 61 -0.760 12.144 4.248 1.00 0.62 C ATOM 903 O ASP A 61 -0.153 11.890 5.288 1.00 0.74 O ATOM 904 CB ASP A 61 -0.837 14.519 3.365 1.00 0.74 C ATOM 905 CG ASP A 61 -2.352 14.525 3.198 1.00 1.36 C ATOM 906 OD1 ASP A 61 -2.839 14.568 2.046 1.00 1.65 O ATOM 907 OD2 ASP A 61 -3.084 14.483 4.220 1.00 2.09 O ATOM 0 H ASP A 61 -1.003 13.061 1.306 1.00 0.51 H new ATOM 0 HA ASP A 61 0.890 13.234 3.433 1.00 0.63 H new ATOM 0 HB2 ASP A 61 -0.592 14.923 4.347 1.00 0.74 H new ATOM 0 HB3 ASP A 61 -0.401 15.191 2.626 1.00 0.74 H new ATOM 912 N ASP A 62 -1.908 11.554 3.937 1.00 0.57 N ATOM 913 CA ASP A 62 -2.610 10.695 4.886 1.00 0.65 C ATOM 914 C ASP A 62 -2.107 9.276 4.793 1.00 0.53 C ATOM 915 O ASP A 62 -2.187 8.510 5.746 1.00 0.59 O ATOM 916 CB ASP A 62 -4.113 10.753 4.636 1.00 0.80 C ATOM 917 CG ASP A 62 -4.940 10.269 5.804 1.00 0.98 C ATOM 918 OD1 ASP A 62 -5.202 11.085 6.710 1.00 1.58 O ATOM 919 OD2 ASP A 62 -5.386 9.126 5.812 1.00 1.54 O ATOM 0 H ASP A 62 -2.374 11.654 3.035 1.00 0.57 H new ATOM 0 HA ASP A 62 -2.413 11.057 5.895 1.00 0.65 H new ATOM 0 HB2 ASP A 62 -4.395 11.780 4.403 1.00 0.80 H new ATOM 0 HB3 ASP A 62 -4.350 10.151 3.759 1.00 0.80 H new ATOM 924 N VAL A 63 -1.536 8.954 3.656 1.00 0.42 N ATOM 925 CA VAL A 63 -0.997 7.636 3.382 1.00 0.39 C ATOM 926 C VAL A 63 0.166 7.337 4.340 1.00 0.44 C ATOM 927 O VAL A 63 0.454 6.194 4.660 1.00 0.50 O ATOM 928 CB VAL A 63 -0.528 7.522 1.898 1.00 0.41 C ATOM 929 CG1 VAL A 63 0.813 8.176 1.655 1.00 0.69 C ATOM 930 CG2 VAL A 63 -0.539 6.108 1.407 1.00 0.59 C ATOM 0 H VAL A 63 -1.430 9.609 2.881 1.00 0.42 H new ATOM 0 HA VAL A 63 -1.785 6.900 3.541 1.00 0.39 H new ATOM 0 HB VAL A 63 -1.261 8.078 1.313 1.00 0.41 H new ATOM 0 HG11 VAL A 63 1.087 8.065 0.606 1.00 0.69 H new ATOM 0 HG12 VAL A 63 0.752 9.235 1.904 1.00 0.69 H new ATOM 0 HG13 VAL A 63 1.569 7.700 2.280 1.00 0.69 H new ATOM 0 HG21 VAL A 63 -0.205 6.080 0.370 1.00 0.59 H new ATOM 0 HG22 VAL A 63 0.131 5.505 2.020 1.00 0.59 H new ATOM 0 HG23 VAL A 63 -1.551 5.708 1.473 1.00 0.59 H new ATOM 940 N LYS A 64 0.770 8.406 4.858 1.00 0.49 N ATOM 941 CA LYS A 64 1.893 8.307 5.762 1.00 0.63 C ATOM 942 C LYS A 64 1.457 7.803 7.136 1.00 0.64 C ATOM 943 O LYS A 64 2.283 7.571 8.017 1.00 0.85 O ATOM 944 CB LYS A 64 2.604 9.647 5.892 1.00 0.76 C ATOM 945 CG LYS A 64 3.019 10.250 4.568 1.00 0.76 C ATOM 946 CD LYS A 64 3.786 11.536 4.771 1.00 1.04 C ATOM 947 CE LYS A 64 4.071 12.221 3.448 1.00 1.55 C ATOM 948 NZ LYS A 64 4.895 13.426 3.628 1.00 2.44 N ATOM 0 H LYS A 64 0.486 9.364 4.656 1.00 0.49 H new ATOM 0 HA LYS A 64 2.590 7.583 5.341 1.00 0.63 H new ATOM 0 HB2 LYS A 64 1.948 10.347 6.409 1.00 0.76 H new ATOM 0 HB3 LYS A 64 3.489 9.519 6.515 1.00 0.76 H new ATOM 0 HG2 LYS A 64 3.635 9.539 4.018 1.00 0.76 H new ATOM 0 HG3 LYS A 64 2.135 10.442 3.960 1.00 0.76 H new ATOM 0 HD2 LYS A 64 3.215 12.205 5.414 1.00 1.04 H new ATOM 0 HD3 LYS A 64 4.725 11.325 5.284 1.00 1.04 H new ATOM 0 HE2 LYS A 64 4.582 11.527 2.781 1.00 1.55 H new ATOM 0 HE3 LYS A 64 3.131 12.491 2.968 1.00 1.55 H new ATOM 0 HZ1 LYS A 64 5.070 13.868 2.703 1.00 2.44 H new ATOM 0 HZ2 LYS A 64 4.396 14.099 4.245 1.00 2.44 H new ATOM 0 HZ3 LYS A 64 5.802 13.164 4.064 1.00 2.44 H new ATOM 962 N ASN A 65 0.157 7.666 7.325 1.00 0.51 N ATOM 963 CA ASN A 65 -0.375 7.124 8.558 1.00 0.57 C ATOM 964 C ASN A 65 -0.470 5.620 8.449 1.00 0.50 C ATOM 965 O ASN A 65 -0.462 4.924 9.460 1.00 0.66 O ATOM 966 CB ASN A 65 -1.776 7.684 8.903 1.00 0.65 C ATOM 967 CG ASN A 65 -1.813 9.185 9.131 1.00 1.37 C ATOM 968 OD1 ASN A 65 -1.569 9.666 10.233 1.00 1.93 O ATOM 969 ND2 ASN A 65 -2.178 9.922 8.129 1.00 1.94 N ATOM 0 H ASN A 65 -0.550 7.924 6.637 1.00 0.51 H new ATOM 0 HA ASN A 65 0.308 7.419 9.355 1.00 0.57 H new ATOM 0 HB2 ASN A 65 -2.463 7.435 8.094 1.00 0.65 H new ATOM 0 HB3 ASN A 65 -2.143 7.184 9.799 1.00 0.65 H new ATOM 0 HD21 ASN A 65 -2.269 10.931 8.245 1.00 1.94 H new ATOM 0 HD22 ASN A 65 -2.374 9.493 7.225 1.00 1.94 H new ATOM 976 N LEU A 66 -0.523 5.118 7.214 1.00 0.42 N ATOM 977 CA LEU A 66 -0.719 3.693 6.966 1.00 0.43 C ATOM 978 C LEU A 66 0.495 2.909 7.414 1.00 0.66 C ATOM 979 O LEU A 66 0.417 2.153 8.393 1.00 1.67 O ATOM 980 CB LEU A 66 -1.015 3.413 5.482 1.00 0.41 C ATOM 981 CG LEU A 66 -2.176 4.197 4.854 1.00 0.38 C ATOM 982 CD1 LEU A 66 -2.362 3.801 3.408 1.00 0.45 C ATOM 983 CD2 LEU A 66 -3.459 3.984 5.621 1.00 0.39 C ATOM 0 H LEU A 66 -0.432 5.682 6.369 1.00 0.42 H new ATOM 0 HA LEU A 66 -1.585 3.372 7.545 1.00 0.43 H new ATOM 0 HB2 LEU A 66 -0.112 3.623 4.909 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -1.223 2.349 5.371 1.00 0.41 H new ATOM 0 HG LEU A 66 -1.925 5.257 4.901 1.00 0.38 H new ATOM 0 HD11 LEU A 66 -3.189 4.367 2.979 1.00 0.45 H new ATOM 0 HD12 LEU A 66 -1.449 4.015 2.852 1.00 0.45 H new ATOM 0 HD13 LEU A 66 -2.582 2.735 3.348 1.00 0.45 H new ATOM 0 HD21 LEU A 66 -4.262 4.552 5.152 1.00 0.39 H new ATOM 0 HD22 LEU A 66 -3.714 2.924 5.617 1.00 0.39 H new ATOM 0 HD23 LEU A 66 -3.329 4.322 6.649 1.00 0.39 H new ATOM 995 N LYS A 67 1.620 3.095 6.699 1.00 0.54 N ATOM 996 CA LYS A 67 2.922 2.468 7.014 1.00 0.48 C ATOM 997 C LYS A 67 2.992 1.011 6.642 1.00 0.44 C ATOM 998 O LYS A 67 3.988 0.534 6.084 1.00 0.58 O ATOM 999 CB LYS A 67 3.302 2.662 8.492 1.00 0.60 C ATOM 1000 CG LYS A 67 3.668 4.069 8.837 1.00 0.99 C ATOM 1001 CD LYS A 67 5.027 4.375 8.293 1.00 1.79 C ATOM 1002 CE LYS A 67 5.372 5.854 8.429 1.00 2.52 C ATOM 1003 NZ LYS A 67 5.299 6.333 9.827 1.00 3.18 N ATOM 0 H LYS A 67 1.653 3.693 5.874 1.00 0.54 H new ATOM 0 HA LYS A 67 3.651 2.987 6.392 1.00 0.48 H new ATOM 0 HB2 LYS A 67 2.466 2.349 9.117 1.00 0.60 H new ATOM 0 HB3 LYS A 67 4.141 2.008 8.731 1.00 0.60 H new ATOM 0 HG2 LYS A 67 2.934 4.760 8.422 1.00 0.99 H new ATOM 0 HG3 LYS A 67 3.658 4.205 9.918 1.00 0.99 H new ATOM 0 HD2 LYS A 67 5.772 3.778 8.819 1.00 1.79 H new ATOM 0 HD3 LYS A 67 5.071 4.087 7.243 1.00 1.79 H new ATOM 0 HE2 LYS A 67 6.377 6.025 8.043 1.00 2.52 H new ATOM 0 HE3 LYS A 67 4.690 6.440 7.813 1.00 2.52 H new ATOM 0 HZ1 LYS A 67 5.640 7.314 9.876 1.00 3.18 H new ATOM 0 HZ2 LYS A 67 4.314 6.292 10.157 1.00 3.18 H new ATOM 0 HZ3 LYS A 67 5.892 5.730 10.432 1.00 3.18 H new ATOM 1017 N THR A 68 1.983 0.300 6.961 1.00 0.36 N ATOM 1018 CA THR A 68 1.983 -1.074 6.739 1.00 0.32 C ATOM 1019 C THR A 68 1.016 -1.474 5.694 1.00 0.30 C ATOM 1020 O THR A 68 0.033 -0.775 5.419 1.00 0.35 O ATOM 1021 CB THR A 68 1.698 -1.813 8.029 1.00 0.35 C ATOM 1022 OG1 THR A 68 0.518 -1.271 8.634 1.00 0.51 O ATOM 1023 CG2 THR A 68 2.866 -1.659 8.945 1.00 0.34 C ATOM 0 H THR A 68 1.131 0.666 7.386 1.00 0.36 H new ATOM 0 HA THR A 68 2.976 -1.343 6.379 1.00 0.32 H new ATOM 0 HB THR A 68 1.537 -2.872 7.828 1.00 0.35 H new ATOM 0 HG1 THR A 68 0.330 -1.748 9.469 1.00 0.51 H new ATOM 0 HG21 THR A 68 2.669 -2.188 9.877 1.00 0.34 H new ATOM 0 HG22 THR A 68 3.756 -2.074 8.473 1.00 0.34 H new ATOM 0 HG23 THR A 68 3.027 -0.602 9.155 1.00 0.34 H new ATOM 1031 N VAL A 69 1.288 -2.603 5.125 1.00 0.27 N ATOM 1032 CA VAL A 69 0.439 -3.218 4.147 1.00 0.26 C ATOM 1033 C VAL A 69 -0.941 -3.568 4.735 1.00 0.27 C ATOM 1034 O VAL A 69 -1.952 -3.571 4.029 1.00 0.34 O ATOM 1035 CB VAL A 69 1.116 -4.464 3.556 1.00 0.28 C ATOM 1036 CG1 VAL A 69 2.144 -4.080 2.527 1.00 0.29 C ATOM 1037 CG2 VAL A 69 1.817 -5.230 4.630 1.00 0.35 C ATOM 0 H VAL A 69 2.130 -3.141 5.331 1.00 0.27 H new ATOM 0 HA VAL A 69 0.277 -2.498 3.345 1.00 0.26 H new ATOM 0 HB VAL A 69 0.336 -5.071 3.096 1.00 0.28 H new ATOM 0 HG11 VAL A 69 2.609 -4.980 2.124 1.00 0.29 H new ATOM 0 HG12 VAL A 69 1.662 -3.528 1.720 1.00 0.29 H new ATOM 0 HG13 VAL A 69 2.907 -3.454 2.990 1.00 0.29 H new ATOM 0 HG21 VAL A 69 2.292 -6.110 4.198 1.00 0.35 H new ATOM 0 HG22 VAL A 69 2.575 -4.598 5.092 1.00 0.35 H new ATOM 0 HG23 VAL A 69 1.095 -5.541 5.385 1.00 0.35 H new ATOM 1047 N GLY A 70 -0.976 -3.809 6.030 1.00 0.26 N ATOM 1048 CA GLY A 70 -2.216 -4.095 6.692 1.00 0.30 C ATOM 1049 C GLY A 70 -3.023 -2.844 6.938 1.00 0.28 C ATOM 1050 O GLY A 70 -4.242 -2.843 6.767 1.00 0.30 O ATOM 0 H GLY A 70 -0.157 -3.811 6.637 1.00 0.26 H new ATOM 0 HA2 GLY A 70 -2.799 -4.790 6.087 1.00 0.30 H new ATOM 0 HA3 GLY A 70 -2.015 -4.590 7.642 1.00 0.30 H new ATOM 1054 N ASP A 71 -2.349 -1.757 7.290 1.00 0.29 N ATOM 1055 CA ASP A 71 -3.047 -0.514 7.598 1.00 0.32 C ATOM 1056 C ASP A 71 -3.484 0.152 6.313 1.00 0.27 C ATOM 1057 O ASP A 71 -4.508 0.838 6.272 1.00 0.29 O ATOM 1058 CB ASP A 71 -2.162 0.411 8.391 1.00 0.46 C ATOM 1059 CG ASP A 71 -2.924 1.488 9.125 1.00 1.01 C ATOM 1060 OD1 ASP A 71 -3.198 2.545 8.569 1.00 1.79 O ATOM 1061 OD2 ASP A 71 -3.201 1.299 10.323 1.00 1.19 O ATOM 0 H ASP A 71 -1.333 -1.709 7.369 1.00 0.29 H new ATOM 0 HA ASP A 71 -3.925 -0.743 8.202 1.00 0.32 H new ATOM 0 HB2 ASP A 71 -1.590 -0.174 9.111 1.00 0.46 H new ATOM 0 HB3 ASP A 71 -1.443 0.879 7.718 1.00 0.46 H new ATOM 1066 N ALA A 72 -2.704 -0.071 5.250 1.00 0.26 N ATOM 1067 CA ALA A 72 -3.064 0.382 3.913 1.00 0.26 C ATOM 1068 C ALA A 72 -4.418 -0.206 3.568 1.00 0.25 C ATOM 1069 O ALA A 72 -5.366 0.524 3.270 1.00 0.26 O ATOM 1070 CB ALA A 72 -2.014 -0.052 2.906 1.00 0.29 C ATOM 0 H ALA A 72 -1.814 -0.567 5.297 1.00 0.26 H new ATOM 0 HA ALA A 72 -3.114 1.470 3.883 1.00 0.26 H new ATOM 0 HB1 ALA A 72 -2.298 0.294 1.912 1.00 0.29 H new ATOM 0 HB2 ALA A 72 -1.050 0.377 3.178 1.00 0.29 H new ATOM 0 HB3 ALA A 72 -1.940 -1.139 2.904 1.00 0.29 H new ATOM 1076 N THR A 73 -4.493 -1.530 3.637 1.00 0.25 N ATOM 1077 CA THR A 73 -5.714 -2.264 3.557 1.00 0.26 C ATOM 1078 C THR A 73 -6.776 -1.677 4.491 1.00 0.28 C ATOM 1079 O THR A 73 -7.820 -1.376 4.040 1.00 0.31 O ATOM 1080 CB THR A 73 -5.425 -3.704 3.937 1.00 0.27 C ATOM 1081 OG1 THR A 73 -4.446 -4.192 3.033 1.00 0.28 O ATOM 1082 CG2 THR A 73 -6.681 -4.551 3.848 1.00 0.28 C ATOM 0 H THR A 73 -3.672 -2.124 3.754 1.00 0.25 H new ATOM 0 HA THR A 73 -6.105 -2.207 2.541 1.00 0.26 H new ATOM 0 HB THR A 73 -5.068 -3.755 4.966 1.00 0.27 H new ATOM 0 HG1 THR A 73 -3.557 -4.107 3.437 1.00 0.28 H new ATOM 0 HG21 THR A 73 -6.447 -5.579 4.125 1.00 0.28 H new ATOM 0 HG22 THR A 73 -7.436 -4.155 4.527 1.00 0.28 H new ATOM 0 HG23 THR A 73 -7.063 -4.529 2.828 1.00 0.28 H new ATOM 1090 N LYS A 74 -6.480 -1.519 5.776 1.00 0.29 N ATOM 1091 CA LYS A 74 -7.411 -0.930 6.766 1.00 0.34 C ATOM 1092 C LYS A 74 -8.032 0.403 6.267 1.00 0.31 C ATOM 1093 O LYS A 74 -9.207 0.685 6.524 1.00 0.37 O ATOM 1094 CB LYS A 74 -6.673 -0.723 8.107 1.00 0.41 C ATOM 1095 CG LYS A 74 -7.468 -0.021 9.208 1.00 0.58 C ATOM 1096 CD LYS A 74 -8.690 -0.809 9.652 1.00 1.60 C ATOM 1097 CE LYS A 74 -9.415 -0.069 10.766 1.00 2.24 C ATOM 1098 NZ LYS A 74 -10.569 -0.820 11.306 1.00 2.93 N ATOM 0 H LYS A 74 -5.583 -1.794 6.176 1.00 0.29 H new ATOM 0 HA LYS A 74 -8.238 -1.626 6.908 1.00 0.34 H new ATOM 0 HB2 LYS A 74 -6.357 -1.698 8.479 1.00 0.41 H new ATOM 0 HB3 LYS A 74 -5.768 -0.146 7.916 1.00 0.41 H new ATOM 0 HG2 LYS A 74 -6.819 0.146 10.067 1.00 0.58 H new ATOM 0 HG3 LYS A 74 -7.784 0.959 8.852 1.00 0.58 H new ATOM 0 HD2 LYS A 74 -9.362 -0.959 8.807 1.00 1.60 H new ATOM 0 HD3 LYS A 74 -8.388 -1.798 9.998 1.00 1.60 H new ATOM 0 HE2 LYS A 74 -8.713 0.137 11.574 1.00 2.24 H new ATOM 0 HE3 LYS A 74 -9.760 0.894 10.390 1.00 2.24 H new ATOM 0 HZ1 LYS A 74 -11.022 -0.266 12.061 1.00 2.93 H new ATOM 0 HZ2 LYS A 74 -11.256 -0.995 10.545 1.00 2.93 H new ATOM 0 HZ3 LYS A 74 -10.242 -1.728 11.693 1.00 2.93 H new ATOM 1112 N TYR A 75 -7.261 1.184 5.532 1.00 0.26 N ATOM 1113 CA TYR A 75 -7.750 2.440 4.987 1.00 0.25 C ATOM 1114 C TYR A 75 -8.704 2.123 3.860 1.00 0.23 C ATOM 1115 O TYR A 75 -9.847 2.526 3.879 1.00 0.29 O ATOM 1116 CB TYR A 75 -6.583 3.300 4.452 1.00 0.29 C ATOM 1117 CG TYR A 75 -6.969 4.689 3.936 1.00 0.30 C ATOM 1118 CD1 TYR A 75 -7.497 4.870 2.659 1.00 0.36 C ATOM 1119 CD2 TYR A 75 -6.802 5.817 4.730 1.00 0.41 C ATOM 1120 CE1 TYR A 75 -7.849 6.123 2.199 1.00 0.42 C ATOM 1121 CE2 TYR A 75 -7.159 7.076 4.272 1.00 0.47 C ATOM 1122 CZ TYR A 75 -7.682 7.219 3.010 1.00 0.45 C ATOM 1123 OH TYR A 75 -8.057 8.458 2.559 1.00 0.53 O ATOM 0 H TYR A 75 -6.291 0.971 5.298 1.00 0.26 H new ATOM 0 HA TYR A 75 -8.253 3.006 5.772 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -5.848 3.419 5.248 1.00 0.29 H new ATOM 0 HB3 TYR A 75 -6.094 2.755 3.645 1.00 0.29 H new ATOM 0 HD1 TYR A 75 -7.634 4.013 2.016 1.00 0.36 H new ATOM 0 HD2 TYR A 75 -6.387 5.711 5.721 1.00 0.41 H new ATOM 0 HE1 TYR A 75 -8.254 6.241 1.205 1.00 0.42 H new ATOM 0 HE2 TYR A 75 -7.026 7.941 4.905 1.00 0.47 H new ATOM 0 HH TYR A 75 -7.875 9.127 3.251 1.00 0.53 H new ATOM 1133 N ILE A 76 -8.214 1.365 2.912 1.00 0.22 N ATOM 1134 CA ILE A 76 -8.932 0.970 1.720 1.00 0.23 C ATOM 1135 C ILE A 76 -10.194 0.186 2.072 1.00 0.24 C ATOM 1136 O ILE A 76 -11.250 0.504 1.605 1.00 0.27 O ATOM 1137 CB ILE A 76 -8.016 0.129 0.821 1.00 0.22 C ATOM 1138 CG1 ILE A 76 -6.743 0.917 0.513 1.00 0.23 C ATOM 1139 CG2 ILE A 76 -8.737 -0.216 -0.468 1.00 0.25 C ATOM 1140 CD1 ILE A 76 -5.673 0.125 -0.194 1.00 0.25 C ATOM 0 H ILE A 76 -7.266 0.990 2.948 1.00 0.22 H new ATOM 0 HA ILE A 76 -9.236 1.870 1.185 1.00 0.23 H new ATOM 0 HB ILE A 76 -7.751 -0.795 1.335 1.00 0.22 H new ATOM 0 HG12 ILE A 76 -7.004 1.779 -0.101 1.00 0.23 H new ATOM 0 HG13 ILE A 76 -6.334 1.302 1.447 1.00 0.23 H new ATOM 0 HG21 ILE A 76 -8.082 -0.813 -1.103 1.00 0.25 H new ATOM 0 HG22 ILE A 76 -9.638 -0.785 -0.240 1.00 0.25 H new ATOM 0 HG23 ILE A 76 -9.009 0.702 -0.989 1.00 0.25 H new ATOM 0 HD11 ILE A 76 -4.807 0.762 -0.373 1.00 0.25 H new ATOM 0 HD12 ILE A 76 -5.379 -0.722 0.425 1.00 0.25 H new ATOM 0 HD13 ILE A 76 -6.059 -0.238 -1.147 1.00 0.25 H new ATOM 1152 N LEU A 77 -10.043 -0.819 2.917 1.00 0.24 N ATOM 1153 CA LEU A 77 -11.127 -1.685 3.417 1.00 0.29 C ATOM 1154 C LEU A 77 -12.298 -0.858 3.903 1.00 0.34 C ATOM 1155 O LEU A 77 -13.453 -1.232 3.727 1.00 0.43 O ATOM 1156 CB LEU A 77 -10.589 -2.526 4.586 1.00 0.30 C ATOM 1157 CG LEU A 77 -11.577 -3.434 5.314 1.00 0.40 C ATOM 1158 CD1 LEU A 77 -12.076 -4.535 4.411 1.00 0.88 C ATOM 1159 CD2 LEU A 77 -10.945 -4.001 6.566 1.00 1.15 C ATOM 0 H LEU A 77 -9.131 -1.074 3.296 1.00 0.24 H new ATOM 0 HA LEU A 77 -11.468 -2.327 2.605 1.00 0.29 H new ATOM 0 HB2 LEU A 77 -9.777 -3.147 4.208 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -10.155 -1.845 5.318 1.00 0.30 H new ATOM 0 HG LEU A 77 -12.440 -2.835 5.605 1.00 0.40 H new ATOM 0 HD11 LEU A 77 -12.778 -5.165 4.958 1.00 0.88 H new ATOM 0 HD12 LEU A 77 -12.578 -4.098 3.548 1.00 0.88 H new ATOM 0 HD13 LEU A 77 -11.234 -5.139 4.074 1.00 0.88 H new ATOM 0 HD21 LEU A 77 -11.661 -4.646 7.075 1.00 1.15 H new ATOM 0 HD22 LEU A 77 -10.061 -4.580 6.297 1.00 1.15 H new ATOM 0 HD23 LEU A 77 -10.656 -3.186 7.229 1.00 1.15 H new ATOM 1171 N ASP A 78 -11.980 0.254 4.497 1.00 0.32 N ATOM 1172 CA ASP A 78 -12.987 1.158 5.033 1.00 0.39 C ATOM 1173 C ASP A 78 -13.448 2.153 3.974 1.00 0.41 C ATOM 1174 O ASP A 78 -14.629 2.262 3.671 1.00 0.50 O ATOM 1175 CB ASP A 78 -12.414 1.921 6.219 1.00 0.45 C ATOM 1176 CG ASP A 78 -13.406 2.871 6.846 1.00 0.57 C ATOM 1177 OD1 ASP A 78 -14.131 2.456 7.765 1.00 0.67 O ATOM 1178 OD2 ASP A 78 -13.453 4.061 6.459 1.00 0.64 O ATOM 0 H ASP A 78 -11.020 0.571 4.630 1.00 0.32 H new ATOM 0 HA ASP A 78 -13.843 0.562 5.350 1.00 0.39 H new ATOM 0 HB2 ASP A 78 -12.075 1.209 6.972 1.00 0.45 H new ATOM 0 HB3 ASP A 78 -11.538 2.482 5.894 1.00 0.45 H new ATOM 1183 N HIS A 79 -12.484 2.806 3.382 1.00 0.37 N ATOM 1184 CA HIS A 79 -12.656 3.916 2.436 1.00 0.43 C ATOM 1185 C HIS A 79 -13.036 3.479 1.008 1.00 0.51 C ATOM 1186 O HIS A 79 -13.040 4.306 0.112 1.00 0.91 O ATOM 1187 CB HIS A 79 -11.380 4.774 2.408 1.00 0.48 C ATOM 1188 CG HIS A 79 -11.172 5.674 3.605 1.00 0.83 C ATOM 1189 ND1 HIS A 79 -11.243 7.042 3.529 1.00 1.18 N ATOM 1190 CD2 HIS A 79 -10.815 5.401 4.890 1.00 1.15 C ATOM 1191 CE1 HIS A 79 -10.945 7.571 4.691 1.00 1.53 C ATOM 1192 NE2 HIS A 79 -10.679 6.603 5.534 1.00 1.52 N ATOM 0 H HIS A 79 -11.503 2.580 3.543 1.00 0.37 H new ATOM 0 HA HIS A 79 -13.503 4.498 2.800 1.00 0.43 H new ATOM 0 HB2 HIS A 79 -10.519 4.111 2.321 1.00 0.48 H new ATOM 0 HB3 HIS A 79 -11.399 5.392 1.510 1.00 0.48 H new ATOM 0 HD2 HIS A 79 -10.667 4.422 5.321 1.00 1.15 H new ATOM 0 HE1 HIS A 79 -10.922 8.627 4.916 1.00 1.53 H new ATOM 0 HE2 HIS A 79 -10.414 6.725 6.511 1.00 1.52 H new ATOM 1201 N GLN A 80 -13.282 2.184 0.824 1.00 0.41 N ATOM 1202 CA GLN A 80 -13.657 1.548 -0.474 1.00 0.55 C ATOM 1203 C GLN A 80 -14.469 2.418 -1.422 1.00 0.62 C ATOM 1204 O GLN A 80 -15.627 2.747 -1.134 1.00 0.89 O ATOM 1205 CB GLN A 80 -14.453 0.278 -0.237 1.00 0.87 C ATOM 1206 CG GLN A 80 -13.656 -0.896 0.258 1.00 0.64 C ATOM 1207 CD GLN A 80 -12.632 -1.354 -0.745 1.00 0.49 C ATOM 1208 OE1 GLN A 80 -11.541 -1.864 -0.263 1.00 0.57 O flip ATOM 1209 NE2 GLN A 80 -12.822 -1.227 -1.951 1.00 0.51 N flip ATOM 0 H GLN A 80 -13.229 1.511 1.588 1.00 0.41 H new ATOM 0 HA GLN A 80 -12.697 1.357 -0.953 1.00 0.55 H new ATOM 0 HB2 GLN A 80 -15.241 0.492 0.485 1.00 0.87 H new ATOM 0 HB3 GLN A 80 -14.943 -0.003 -1.169 1.00 0.87 H new ATOM 0 HG2 GLN A 80 -13.155 -0.626 1.188 1.00 0.64 H new ATOM 0 HG3 GLN A 80 -14.331 -1.720 0.487 1.00 0.64 H new ATOM 0 HE21 GLN A 80 -13.694 -0.821 -2.290 1.00 0.51 H new ATOM 0 HE22 GLN A 80 -12.108 -1.528 -2.614 1.00 0.51 H new ATOM 1218 N ALA A 81 -13.806 2.771 -2.534 1.00 0.68 N ATOM 1219 CA ALA A 81 -14.356 3.479 -3.691 1.00 0.96 C ATOM 1220 C ALA A 81 -15.347 4.579 -3.346 1.00 1.47 C ATOM 1221 O ALA A 81 -16.566 4.306 -3.266 1.00 1.72 O ATOM 1222 CB ALA A 81 -14.931 2.500 -4.703 1.00 1.11 C ATOM 1223 OXT ALA A 81 -14.917 5.730 -3.170 1.00 2.36 O ATOM 0 H ALA A 81 -12.816 2.556 -2.652 1.00 0.68 H new ATOM 0 HA ALA A 81 -13.513 4.000 -4.145 1.00 0.96 H new ATOM 0 HB1 ALA A 81 -15.334 3.050 -5.553 1.00 1.11 H new ATOM 0 HB2 ALA A 81 -14.145 1.827 -5.045 1.00 1.11 H new ATOM 0 HB3 ALA A 81 -15.727 1.920 -4.236 1.00 1.11 H new