USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 492 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 34 TYR OH : rot -130:sc= 0.511 USER MOD Set 1.2: A 72 MET CE :methyl -165:sc= -0.333 (180deg=-0.451) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.363 K(o=-2,f=-0.42) USER MOD Set 2.2: A 56 GLN : amide:sc= -1.65 K(o=-2,f=-0.42) USER MOD Set 3.1: A 19 GLN : amide:sc= -2.31! K(o=-3.8!,f=0.043) USER MOD Set 3.2: A 20 GLN : amide:sc= -1.48! K(o=-3.8!,f=-0.098) USER MOD Single : A 14 TYR OH : rot -144:sc= -0.224 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -22:sc= 0.171 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 26 MET CE :methyl 171:sc= -1.28 (180deg=-1.61) USER MOD Single : A 30 MET CE :methyl -144:sc= -0.664 (180deg=-2.55!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -6.86! C(o=-6.9!,f=-3.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -170:sc= 0 USER MOD Single : A 62 THR OG1 : rot -18:sc= 0.292 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.755 USER MOD Single : A 69 HIS : no HE2:sc= -0.554 X(o=-0.55,f=-0.59) USER MOD Single : A 71 HIS : no HD1:sc= -0.837 X(o=-0.84,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.431 5.325 -5.432 1.00 0.00 N ATOM 2 CA TYR A 14 -11.392 5.533 -4.391 1.00 0.00 C ATOM 3 C TYR A 14 -10.054 4.870 -4.791 1.00 0.00 C ATOM 4 O TYR A 14 -8.979 5.429 -4.552 1.00 0.00 O ATOM 5 CB TYR A 14 -11.919 4.983 -3.036 1.00 0.00 C ATOM 6 CG TYR A 14 -10.899 4.942 -1.879 1.00 0.00 C ATOM 7 CD1 TYR A 14 -10.467 6.112 -1.247 1.00 0.00 C ATOM 8 CD2 TYR A 14 -10.377 3.728 -1.416 1.00 0.00 C ATOM 9 CE1 TYR A 14 -9.562 6.067 -0.202 1.00 0.00 C ATOM 10 CE2 TYR A 14 -9.479 3.683 -0.371 1.00 0.00 C ATOM 11 CZ TYR A 14 -9.076 4.850 0.229 1.00 0.00 C ATOM 12 OH TYR A 14 -8.194 4.800 1.272 1.00 0.00 O ATOM 0 HA TYR A 14 -11.192 6.600 -4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.767 5.593 -2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.295 3.973 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.846 7.067 -1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.685 2.807 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.237 6.980 0.274 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.095 2.734 -0.026 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.542 4.085 1.115 1.00 0.00 H new ATOM 22 N GLY A 15 -10.152 3.693 -5.430 1.00 0.00 N ATOM 23 CA GLY A 15 -8.982 2.967 -5.919 1.00 0.00 C ATOM 24 C GLY A 15 -8.345 3.635 -7.125 1.00 0.00 C ATOM 25 O GLY A 15 -7.118 3.700 -7.243 1.00 0.00 O ATOM 0 H GLY A 15 -11.039 3.226 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.246 2.890 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.273 1.950 -6.183 1.00 0.00 H new ATOM 29 N GLU A 16 -9.202 4.132 -8.023 1.00 0.00 N ATOM 30 CA GLU A 16 -8.786 4.857 -9.230 1.00 0.00 C ATOM 31 C GLU A 16 -8.201 6.234 -8.866 1.00 0.00 C ATOM 32 O GLU A 16 -7.381 6.770 -9.610 1.00 0.00 O ATOM 33 CB GLU A 16 -9.987 5.003 -10.205 1.00 0.00 C ATOM 34 CG GLU A 16 -10.439 3.694 -10.905 1.00 0.00 C ATOM 35 CD GLU A 16 -11.102 2.672 -9.959 1.00 0.00 C ATOM 36 OE1 GLU A 16 -12.319 2.786 -9.709 1.00 0.00 O ATOM 37 OE2 GLU A 16 -10.406 1.765 -9.439 1.00 0.00 O ATOM 0 H GLU A 16 -10.214 4.042 -7.932 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.004 4.285 -9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.834 5.411 -9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.725 5.733 -10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.140 3.944 -11.702 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.573 3.229 -11.376 1.00 0.00 H new ATOM 44 N TYR A 17 -8.630 6.782 -7.709 1.00 0.00 N ATOM 45 CA TYR A 17 -8.165 8.084 -7.198 1.00 0.00 C ATOM 46 C TYR A 17 -6.745 7.965 -6.622 1.00 0.00 C ATOM 47 O TYR A 17 -5.857 8.753 -6.984 1.00 0.00 O ATOM 48 CB TYR A 17 -9.156 8.611 -6.108 1.00 0.00 C ATOM 49 CG TYR A 17 -8.591 9.724 -5.203 1.00 0.00 C ATOM 50 CD1 TYR A 17 -8.343 11.009 -5.695 1.00 0.00 C ATOM 51 CD2 TYR A 17 -8.277 9.471 -3.862 1.00 0.00 C ATOM 52 CE1 TYR A 17 -7.810 11.994 -4.884 1.00 0.00 C ATOM 53 CE2 TYR A 17 -7.750 10.454 -3.053 1.00 0.00 C ATOM 54 CZ TYR A 17 -7.516 11.711 -3.565 1.00 0.00 C ATOM 55 OH TYR A 17 -6.980 12.687 -2.757 1.00 0.00 O ATOM 0 H TYR A 17 -9.313 6.329 -7.102 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.137 8.795 -8.024 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.053 8.985 -6.603 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.463 7.774 -5.481 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.572 11.236 -6.726 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.451 8.486 -3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.624 12.981 -5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.521 10.239 -2.020 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.834 12.324 -1.859 1.00 0.00 H new ATOM 65 N VAL A 18 -6.538 6.960 -5.739 1.00 0.00 N ATOM 66 CA VAL A 18 -5.233 6.732 -5.082 1.00 0.00 C ATOM 67 C VAL A 18 -4.167 6.364 -6.128 1.00 0.00 C ATOM 68 O VAL A 18 -3.021 6.782 -6.016 1.00 0.00 O ATOM 69 CB VAL A 18 -5.286 5.681 -3.910 1.00 0.00 C ATOM 70 CG1 VAL A 18 -6.244 6.150 -2.781 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.666 4.279 -4.418 1.00 0.00 C ATOM 0 H VAL A 18 -7.261 6.294 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.954 7.672 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.283 5.611 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.261 5.405 -1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.895 7.102 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.249 6.273 -3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.692 3.583 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.648 4.317 -4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.927 3.943 -5.146 1.00 0.00 H new ATOM 81 N GLN A 19 -4.601 5.631 -7.176 1.00 0.00 N ATOM 82 CA GLN A 19 -3.752 5.214 -8.315 1.00 0.00 C ATOM 83 C GLN A 19 -3.060 6.439 -8.972 1.00 0.00 C ATOM 84 O GLN A 19 -1.934 6.331 -9.464 1.00 0.00 O ATOM 85 CB GLN A 19 -4.637 4.429 -9.348 1.00 0.00 C ATOM 86 CG GLN A 19 -3.893 3.470 -10.326 1.00 0.00 C ATOM 87 CD GLN A 19 -3.118 4.133 -11.482 1.00 0.00 C ATOM 88 OE1 GLN A 19 -2.101 3.610 -11.937 1.00 0.00 O ATOM 89 NE2 GLN A 19 -3.608 5.253 -11.993 1.00 0.00 N ATOM 0 H GLN A 19 -5.565 5.307 -7.256 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.958 4.559 -7.957 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.370 3.845 -8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.192 5.156 -9.941 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.193 2.868 -9.747 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.624 2.785 -10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.452 5.667 -11.598 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.141 5.701 -12.781 1.00 0.00 H new ATOM 98 N GLN A 20 -3.738 7.608 -8.932 1.00 0.00 N ATOM 99 CA GLN A 20 -3.252 8.842 -9.582 1.00 0.00 C ATOM 100 C GLN A 20 -2.354 9.653 -8.627 1.00 0.00 C ATOM 101 O GLN A 20 -1.293 10.142 -9.025 1.00 0.00 O ATOM 102 CB GLN A 20 -4.436 9.732 -10.054 1.00 0.00 C ATOM 103 CG GLN A 20 -5.557 8.992 -10.811 1.00 0.00 C ATOM 104 CD GLN A 20 -5.104 8.155 -12.015 1.00 0.00 C ATOM 105 OE1 GLN A 20 -4.114 8.458 -12.682 1.00 0.00 O ATOM 106 NE2 GLN A 20 -5.843 7.087 -12.304 1.00 0.00 N ATOM 0 H GLN A 20 -4.631 7.721 -8.452 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.668 8.540 -10.451 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.871 10.221 -9.182 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.043 10.518 -10.698 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.073 8.337 -10.109 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.285 9.727 -11.155 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.658 6.861 -11.733 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.595 6.494 -13.096 1.00 0.00 H new ATOM 115 N THR A 21 -2.797 9.791 -7.363 1.00 0.00 N ATOM 116 CA THR A 21 -2.150 10.690 -6.375 1.00 0.00 C ATOM 117 C THR A 21 -0.936 10.043 -5.662 1.00 0.00 C ATOM 118 O THR A 21 -0.113 10.768 -5.101 1.00 0.00 O ATOM 119 CB THR A 21 -3.194 11.221 -5.322 1.00 0.00 C ATOM 120 OG1 THR A 21 -2.569 12.064 -4.331 1.00 0.00 O ATOM 121 CG2 THR A 21 -3.944 10.090 -4.616 1.00 0.00 C ATOM 0 H THR A 21 -3.606 9.290 -6.995 1.00 0.00 H new ATOM 0 HA THR A 21 -1.762 11.534 -6.945 1.00 0.00 H new ATOM 0 HB THR A 21 -3.915 11.807 -5.893 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.610 11.868 -4.293 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.650 10.512 -3.901 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.485 9.496 -5.353 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.232 9.454 -4.090 1.00 0.00 H new ATOM 129 N LEU A 22 -0.818 8.698 -5.706 1.00 0.00 N ATOM 130 CA LEU A 22 0.272 7.954 -5.020 1.00 0.00 C ATOM 131 C LEU A 22 1.656 8.276 -5.645 1.00 0.00 C ATOM 132 O LEU A 22 1.886 8.015 -6.826 1.00 0.00 O ATOM 133 CB LEU A 22 -0.018 6.417 -5.053 1.00 0.00 C ATOM 134 CG LEU A 22 -0.843 5.851 -3.844 1.00 0.00 C ATOM 135 CD1 LEU A 22 -1.377 4.427 -4.123 1.00 0.00 C ATOM 136 CD2 LEU A 22 0.003 5.873 -2.554 1.00 0.00 C ATOM 0 H LEU A 22 -1.468 8.097 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 22 0.303 8.277 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.555 6.187 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.934 5.888 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.708 6.499 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.942 4.075 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.026 4.447 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.540 3.754 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.585 5.477 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.893 5.260 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.299 6.898 -2.331 1.00 0.00 H new ATOM 148 N GLN A 23 2.558 8.846 -4.821 1.00 0.00 N ATOM 149 CA GLN A 23 3.908 9.305 -5.233 1.00 0.00 C ATOM 150 C GLN A 23 4.992 8.404 -4.602 1.00 0.00 C ATOM 151 O GLN A 23 4.841 8.009 -3.441 1.00 0.00 O ATOM 152 CB GLN A 23 4.122 10.772 -4.777 1.00 0.00 C ATOM 153 CG GLN A 23 3.136 11.779 -5.392 1.00 0.00 C ATOM 154 CD GLN A 23 3.302 13.184 -4.823 1.00 0.00 C ATOM 155 OE1 GLN A 23 2.649 13.555 -3.846 1.00 0.00 O ATOM 156 NE2 GLN A 23 4.202 13.962 -5.406 1.00 0.00 N ATOM 0 H GLN A 23 2.369 9.005 -3.831 1.00 0.00 H new ATOM 0 HA GLN A 23 3.985 9.246 -6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.039 10.818 -3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.138 11.074 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.279 11.809 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.116 11.438 -5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.724 13.621 -6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.373 14.902 -5.048 1.00 0.00 H new ATOM 165 N PRO A 24 6.099 8.061 -5.350 1.00 0.00 N ATOM 166 CA PRO A 24 7.168 7.148 -4.858 1.00 0.00 C ATOM 167 C PRO A 24 7.974 7.760 -3.690 1.00 0.00 C ATOM 168 O PRO A 24 9.008 8.414 -3.892 1.00 0.00 O ATOM 169 CB PRO A 24 8.033 6.891 -6.122 1.00 0.00 C ATOM 170 CG PRO A 24 7.831 8.118 -6.962 1.00 0.00 C ATOM 171 CD PRO A 24 6.396 8.540 -6.730 1.00 0.00 C ATOM 0 HA PRO A 24 6.773 6.225 -4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.083 6.753 -5.865 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.713 5.991 -6.648 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.523 8.909 -6.673 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.011 7.905 -8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.279 9.621 -6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.724 8.091 -7.462 1.00 0.00 H new ATOM 179 N GLY A 25 7.438 7.591 -2.471 1.00 0.00 N ATOM 180 CA GLY A 25 8.072 8.081 -1.250 1.00 0.00 C ATOM 181 C GLY A 25 7.070 8.648 -0.255 1.00 0.00 C ATOM 182 O GLY A 25 7.472 9.149 0.800 1.00 0.00 O ATOM 0 H GLY A 25 6.553 7.110 -2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.624 7.267 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.799 8.852 -1.507 1.00 0.00 H new ATOM 186 N MET A 26 5.755 8.582 -0.584 1.00 0.00 N ATOM 187 CA MET A 26 4.693 9.108 0.297 1.00 0.00 C ATOM 188 C MET A 26 4.266 8.063 1.338 1.00 0.00 C ATOM 189 O MET A 26 4.565 6.876 1.216 1.00 0.00 O ATOM 190 CB MET A 26 3.452 9.605 -0.496 1.00 0.00 C ATOM 191 CG MET A 26 2.592 8.515 -1.162 1.00 0.00 C ATOM 192 SD MET A 26 0.897 9.069 -1.455 1.00 0.00 S ATOM 193 CE MET A 26 1.153 10.652 -2.254 1.00 0.00 C ATOM 0 H MET A 26 5.410 8.170 -1.451 1.00 0.00 H new ATOM 0 HA MET A 26 5.122 9.968 0.811 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.818 10.176 0.182 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.792 10.294 -1.269 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.046 8.224 -2.109 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.578 7.628 -0.529 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.202 11.027 -2.631 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.563 11.361 -1.534 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.850 10.532 -3.083 1.00 0.00 H new ATOM 203 N ARG A 27 3.488 8.533 2.305 1.00 0.00 N ATOM 204 CA ARG A 27 3.146 7.807 3.527 1.00 0.00 C ATOM 205 C ARG A 27 1.738 7.179 3.395 1.00 0.00 C ATOM 206 O ARG A 27 0.760 7.889 3.136 1.00 0.00 O ATOM 207 CB ARG A 27 3.234 8.821 4.698 1.00 0.00 C ATOM 208 CG ARG A 27 3.002 8.248 6.098 1.00 0.00 C ATOM 209 CD ARG A 27 3.926 7.057 6.410 1.00 0.00 C ATOM 210 NE ARG A 27 3.933 6.700 7.834 1.00 0.00 N ATOM 211 CZ ARG A 27 2.863 6.349 8.558 1.00 0.00 C ATOM 212 NH1 ARG A 27 1.664 6.198 7.992 1.00 0.00 N ATOM 213 NH2 ARG A 27 3.007 6.110 9.851 1.00 0.00 N ATOM 0 H ARG A 27 3.063 9.459 2.261 1.00 0.00 H new ATOM 0 HA ARG A 27 3.833 6.981 3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.219 9.287 4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.504 9.611 4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.163 9.032 6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.963 7.931 6.189 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.608 6.194 5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.941 7.299 6.096 1.00 0.00 H new ATOM 0 HE ARG A 27 4.833 6.721 8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.550 6.351 6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.861 5.930 8.561 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.926 6.194 10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.199 5.842 10.413 1.00 0.00 H new ATOM 227 N VAL A 28 1.652 5.838 3.569 1.00 0.00 N ATOM 228 CA VAL A 28 0.407 5.061 3.366 1.00 0.00 C ATOM 229 C VAL A 28 -0.028 4.365 4.679 1.00 0.00 C ATOM 230 O VAL A 28 0.688 4.406 5.688 1.00 0.00 O ATOM 231 CB VAL A 28 0.519 4.000 2.190 1.00 0.00 C ATOM 232 CG1 VAL A 28 1.153 4.619 0.922 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.258 2.707 2.626 1.00 0.00 C ATOM 0 H VAL A 28 2.446 5.265 3.855 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.357 5.780 3.070 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.500 3.706 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.213 3.863 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.539 5.451 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.155 4.980 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.307 2.015 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.268 2.957 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.718 2.240 3.450 1.00 0.00 H new ATOM 243 N ARG A 29 -1.213 3.734 4.629 1.00 0.00 N ATOM 244 CA ARG A 29 -1.903 3.136 5.781 1.00 0.00 C ATOM 245 C ARG A 29 -2.720 1.919 5.267 1.00 0.00 C ATOM 246 O ARG A 29 -3.311 1.980 4.185 1.00 0.00 O ATOM 247 CB ARG A 29 -2.821 4.233 6.412 1.00 0.00 C ATOM 248 CG ARG A 29 -3.242 4.060 7.896 1.00 0.00 C ATOM 249 CD ARG A 29 -4.086 2.801 8.188 1.00 0.00 C ATOM 250 NE ARG A 29 -4.988 2.969 9.341 1.00 0.00 N ATOM 251 CZ ARG A 29 -4.619 3.101 10.618 1.00 0.00 C ATOM 252 NH1 ARG A 29 -3.341 3.052 10.988 1.00 0.00 N ATOM 253 NH2 ARG A 29 -5.552 3.265 11.535 1.00 0.00 N ATOM 0 H ARG A 29 -1.732 3.623 3.758 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.210 2.786 6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.310 5.191 6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.729 4.296 5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.344 4.029 8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.809 4.939 8.203 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.675 2.552 7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.420 1.959 8.374 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.989 2.986 9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.613 2.910 10.288 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.090 3.156 11.971 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.535 3.289 11.264 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.291 3.368 12.516 1.00 0.00 H new ATOM 267 N MET A 30 -2.737 0.829 6.047 1.00 0.00 N ATOM 268 CA MET A 30 -3.504 -0.397 5.736 1.00 0.00 C ATOM 269 C MET A 30 -4.867 -0.348 6.444 1.00 0.00 C ATOM 270 O MET A 30 -4.924 -0.369 7.678 1.00 0.00 O ATOM 271 CB MET A 30 -2.721 -1.664 6.193 1.00 0.00 C ATOM 272 CG MET A 30 -3.249 -3.016 5.653 1.00 0.00 C ATOM 273 SD MET A 30 -2.603 -3.461 4.014 1.00 0.00 S ATOM 274 CE MET A 30 -3.491 -2.384 2.882 1.00 0.00 C ATOM 0 H MET A 30 -2.215 0.768 6.921 1.00 0.00 H new ATOM 0 HA MET A 30 -3.654 -0.450 4.658 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.680 -1.554 5.888 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.731 -1.701 7.282 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.990 -3.804 6.360 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.337 -2.976 5.605 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.695 -2.919 1.955 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.432 -2.075 3.337 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.885 -1.504 2.667 1.00 0.00 H new ATOM 284 N LEU A 31 -5.961 -0.262 5.665 1.00 0.00 N ATOM 285 CA LEU A 31 -7.335 -0.238 6.215 1.00 0.00 C ATOM 286 C LEU A 31 -7.992 -1.635 6.170 1.00 0.00 C ATOM 287 O LEU A 31 -9.161 -1.786 6.542 1.00 0.00 O ATOM 288 CB LEU A 31 -8.197 0.851 5.475 1.00 0.00 C ATOM 289 CG LEU A 31 -8.316 0.786 3.901 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.211 -0.375 3.404 1.00 0.00 C ATOM 291 CD2 LEU A 31 -8.812 2.132 3.318 1.00 0.00 C ATOM 0 H LEU A 31 -5.922 -0.208 4.647 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.281 0.039 7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.206 0.808 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.789 1.828 5.735 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.308 0.590 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.251 -0.363 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.796 -1.325 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.218 -0.256 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.883 2.054 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.793 2.367 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.109 2.923 3.580 1.00 0.00 H new ATOM 303 N ASP A 32 -7.226 -2.653 5.741 1.00 0.00 N ATOM 304 CA ASP A 32 -7.762 -3.999 5.443 1.00 0.00 C ATOM 305 C ASP A 32 -6.870 -5.077 6.093 1.00 0.00 C ATOM 306 O ASP A 32 -5.727 -4.796 6.473 1.00 0.00 O ATOM 307 CB ASP A 32 -7.841 -4.175 3.898 1.00 0.00 C ATOM 308 CG ASP A 32 -8.766 -5.321 3.462 1.00 0.00 C ATOM 309 OD1 ASP A 32 -8.324 -6.488 3.400 1.00 0.00 O ATOM 310 OD2 ASP A 32 -9.953 -5.055 3.171 1.00 0.00 O ATOM 0 H ASP A 32 -6.221 -2.570 5.590 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.763 -4.110 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.192 -3.245 3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.839 -4.358 3.509 1.00 0.00 H new ATOM 315 N ASP A 33 -7.401 -6.303 6.229 1.00 0.00 N ATOM 316 CA ASP A 33 -6.675 -7.437 6.833 1.00 0.00 C ATOM 317 C ASP A 33 -5.885 -8.191 5.740 1.00 0.00 C ATOM 318 O ASP A 33 -6.459 -8.653 4.751 1.00 0.00 O ATOM 319 CB ASP A 33 -7.663 -8.386 7.586 1.00 0.00 C ATOM 320 CG ASP A 33 -8.683 -9.103 6.678 1.00 0.00 C ATOM 321 OD1 ASP A 33 -9.537 -8.421 6.073 1.00 0.00 O ATOM 322 OD2 ASP A 33 -8.631 -10.351 6.560 1.00 0.00 O ATOM 0 H ASP A 33 -8.346 -6.538 5.924 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.965 -7.059 7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.085 -9.137 8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.206 -7.806 8.332 1.00 0.00 H new ATOM 327 N TYR A 34 -4.558 -8.303 5.920 1.00 0.00 N ATOM 328 CA TYR A 34 -3.648 -8.920 4.926 1.00 0.00 C ATOM 329 C TYR A 34 -2.881 -10.115 5.503 1.00 0.00 C ATOM 330 O TYR A 34 -2.920 -10.388 6.707 1.00 0.00 O ATOM 331 CB TYR A 34 -2.673 -7.854 4.311 1.00 0.00 C ATOM 332 CG TYR A 34 -3.219 -7.235 3.026 1.00 0.00 C ATOM 333 CD1 TYR A 34 -4.215 -6.256 3.056 1.00 0.00 C ATOM 334 CD2 TYR A 34 -2.774 -7.677 1.780 1.00 0.00 C ATOM 335 CE1 TYR A 34 -4.741 -5.745 1.888 1.00 0.00 C ATOM 336 CE2 TYR A 34 -3.290 -7.162 0.619 1.00 0.00 C ATOM 337 CZ TYR A 34 -4.274 -6.203 0.675 1.00 0.00 C ATOM 338 OH TYR A 34 -4.804 -5.713 -0.493 1.00 0.00 O ATOM 0 H TYR A 34 -4.081 -7.970 6.758 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.272 -9.308 4.121 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.493 -7.066 5.042 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.711 -8.323 4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.578 -5.894 4.007 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.010 -8.438 1.729 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.514 -4.991 1.924 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.925 -7.508 -0.337 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.052 -6.459 -1.078 1.00 0.00 H new ATOM 348 N GLU A 35 -2.203 -10.818 4.583 1.00 0.00 N ATOM 349 CA GLU A 35 -1.444 -12.059 4.845 1.00 0.00 C ATOM 350 C GLU A 35 -0.422 -11.886 5.985 1.00 0.00 C ATOM 351 O GLU A 35 -0.371 -12.690 6.914 1.00 0.00 O ATOM 352 CB GLU A 35 -0.712 -12.483 3.540 1.00 0.00 C ATOM 353 CG GLU A 35 -1.622 -12.582 2.296 1.00 0.00 C ATOM 354 CD GLU A 35 -2.699 -13.673 2.413 1.00 0.00 C ATOM 355 OE1 GLU A 35 -2.368 -14.865 2.263 1.00 0.00 O ATOM 356 OE2 GLU A 35 -3.879 -13.347 2.677 1.00 0.00 O ATOM 0 H GLU A 35 -2.164 -10.533 3.604 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.148 -12.830 5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.084 -11.766 3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.236 -13.450 3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.107 -11.620 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.006 -12.782 1.419 1.00 0.00 H new ATOM 363 N GLU A 36 0.370 -10.809 5.898 1.00 0.00 N ATOM 364 CA GLU A 36 1.445 -10.506 6.872 1.00 0.00 C ATOM 365 C GLU A 36 1.332 -9.061 7.405 1.00 0.00 C ATOM 366 O GLU A 36 2.169 -8.621 8.202 1.00 0.00 O ATOM 367 CB GLU A 36 2.827 -10.763 6.206 1.00 0.00 C ATOM 368 CG GLU A 36 2.994 -10.123 4.816 1.00 0.00 C ATOM 369 CD GLU A 36 4.379 -10.345 4.190 1.00 0.00 C ATOM 370 OE1 GLU A 36 4.834 -11.506 4.106 1.00 0.00 O ATOM 371 OE2 GLU A 36 5.017 -9.363 3.771 1.00 0.00 O ATOM 0 H GLU A 36 0.289 -10.118 5.152 1.00 0.00 H new ATOM 0 HA GLU A 36 1.340 -11.165 7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.609 -10.383 6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.979 -11.839 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.235 -10.528 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.810 -9.052 4.896 1.00 0.00 H new ATOM 378 N ILE A 37 0.297 -8.326 6.950 1.00 0.00 N ATOM 379 CA ILE A 37 0.002 -6.953 7.416 1.00 0.00 C ATOM 380 C ILE A 37 -1.395 -6.949 8.061 1.00 0.00 C ATOM 381 O ILE A 37 -2.281 -7.678 7.619 1.00 0.00 O ATOM 382 CB ILE A 37 0.054 -5.871 6.253 1.00 0.00 C ATOM 383 CG1 ILE A 37 1.318 -6.043 5.338 1.00 0.00 C ATOM 384 CG2 ILE A 37 -0.007 -4.432 6.829 1.00 0.00 C ATOM 385 CD1 ILE A 37 1.151 -7.032 4.202 1.00 0.00 C ATOM 0 H ILE A 37 -0.360 -8.667 6.248 1.00 0.00 H new ATOM 0 HA ILE A 37 0.774 -6.674 8.133 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.825 -6.036 5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.581 -5.072 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.157 -6.361 5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.030 -3.711 6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.935 -4.302 7.386 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.841 -4.270 7.495 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.075 -7.083 3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.921 -8.017 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.337 -6.708 3.554 1.00 0.00 H new ATOM 397 N SER A 38 -1.586 -6.148 9.109 1.00 0.00 N ATOM 398 CA SER A 38 -2.889 -6.000 9.773 1.00 0.00 C ATOM 399 C SER A 38 -3.439 -4.585 9.529 1.00 0.00 C ATOM 400 O SER A 38 -2.668 -3.654 9.233 1.00 0.00 O ATOM 401 CB SER A 38 -2.723 -6.276 11.284 1.00 0.00 C ATOM 402 OG SER A 38 -2.096 -7.529 11.507 1.00 0.00 O ATOM 0 H SER A 38 -0.846 -5.583 9.524 1.00 0.00 H new ATOM 0 HA SER A 38 -3.600 -6.716 9.362 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.130 -5.483 11.739 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.699 -6.262 11.769 1.00 0.00 H new ATOM 0 HG SER A 38 -2.001 -7.680 12.471 1.00 0.00 H new ATOM 408 N ALA A 39 -4.775 -4.433 9.631 1.00 0.00 N ATOM 409 CA ALA A 39 -5.428 -3.115 9.577 1.00 0.00 C ATOM 410 C ALA A 39 -4.998 -2.287 10.801 1.00 0.00 C ATOM 411 O ALA A 39 -5.279 -2.671 11.946 1.00 0.00 O ATOM 412 CB ALA A 39 -6.955 -3.270 9.524 1.00 0.00 C ATOM 0 H ALA A 39 -5.422 -5.212 9.752 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.120 -2.594 8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.420 -2.285 9.485 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.232 -3.838 8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.298 -3.798 10.414 1.00 0.00 H new ATOM 418 N GLY A 40 -4.306 -1.167 10.544 1.00 0.00 N ATOM 419 CA GLY A 40 -3.696 -0.345 11.598 1.00 0.00 C ATOM 420 C GLY A 40 -2.210 -0.116 11.345 1.00 0.00 C ATOM 421 O GLY A 40 -1.640 0.882 11.807 1.00 0.00 O ATOM 0 H GLY A 40 -4.154 -0.807 9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.208 0.616 11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.830 -0.833 12.563 1.00 0.00 H new ATOM 425 N ASP A 41 -1.584 -1.051 10.598 1.00 0.00 N ATOM 426 CA ASP A 41 -0.175 -0.933 10.171 1.00 0.00 C ATOM 427 C ASP A 41 -0.044 0.047 9.013 1.00 0.00 C ATOM 428 O ASP A 41 -0.996 0.278 8.273 1.00 0.00 O ATOM 429 CB ASP A 41 0.411 -2.307 9.785 1.00 0.00 C ATOM 430 CG ASP A 41 0.557 -3.243 10.990 1.00 0.00 C ATOM 431 OD1 ASP A 41 1.298 -2.890 11.933 1.00 0.00 O ATOM 432 OD2 ASP A 41 -0.042 -4.336 11.001 1.00 0.00 O ATOM 0 H ASP A 41 -2.040 -1.905 10.276 1.00 0.00 H new ATOM 0 HA ASP A 41 0.397 -0.550 11.016 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.232 -2.776 9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.386 -2.165 9.320 1.00 0.00 H new ATOM 437 N GLU A 42 1.158 0.628 8.876 1.00 0.00 N ATOM 438 CA GLU A 42 1.425 1.755 7.968 1.00 0.00 C ATOM 439 C GLU A 42 2.733 1.515 7.192 1.00 0.00 C ATOM 440 O GLU A 42 3.603 0.754 7.641 1.00 0.00 O ATOM 441 CB GLU A 42 1.458 3.068 8.794 1.00 0.00 C ATOM 442 CG GLU A 42 0.120 3.378 9.512 1.00 0.00 C ATOM 443 CD GLU A 42 0.135 4.646 10.374 1.00 0.00 C ATOM 444 OE1 GLU A 42 0.817 4.657 11.417 1.00 0.00 O ATOM 445 OE2 GLU A 42 -0.506 5.651 9.994 1.00 0.00 O ATOM 0 H GLU A 42 1.981 0.326 9.398 1.00 0.00 H new ATOM 0 HA GLU A 42 0.632 1.842 7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.253 3.001 9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.708 3.898 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.665 3.474 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.143 2.529 10.143 1.00 0.00 H new ATOM 452 N GLY A 43 2.839 2.150 6.012 1.00 0.00 N ATOM 453 CA GLY A 43 3.916 1.873 5.056 1.00 0.00 C ATOM 454 C GLY A 43 4.327 3.092 4.256 1.00 0.00 C ATOM 455 O GLY A 43 3.953 4.220 4.594 1.00 0.00 O ATOM 0 H GLY A 43 2.183 2.865 5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.783 1.490 5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.594 1.088 4.372 1.00 0.00 H new ATOM 459 N GLU A 44 5.088 2.852 3.176 1.00 0.00 N ATOM 460 CA GLU A 44 5.505 3.893 2.229 1.00 0.00 C ATOM 461 C GLU A 44 5.346 3.370 0.795 1.00 0.00 C ATOM 462 O GLU A 44 5.686 2.213 0.522 1.00 0.00 O ATOM 463 CB GLU A 44 6.974 4.320 2.491 1.00 0.00 C ATOM 464 CG GLU A 44 7.457 5.477 1.593 1.00 0.00 C ATOM 465 CD GLU A 44 8.891 5.940 1.894 1.00 0.00 C ATOM 466 OE1 GLU A 44 9.101 6.646 2.903 1.00 0.00 O ATOM 467 OE2 GLU A 44 9.811 5.596 1.129 1.00 0.00 O ATOM 0 H GLU A 44 5.433 1.922 2.936 1.00 0.00 H new ATOM 0 HA GLU A 44 4.872 4.770 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.075 4.616 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.625 3.459 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.398 5.164 0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.780 6.323 1.711 1.00 0.00 H new ATOM 474 N PHE A 45 4.820 4.221 -0.109 1.00 0.00 N ATOM 475 CA PHE A 45 4.664 3.889 -1.537 1.00 0.00 C ATOM 476 C PHE A 45 6.038 3.858 -2.216 1.00 0.00 C ATOM 477 O PHE A 45 6.794 4.830 -2.138 1.00 0.00 O ATOM 478 CB PHE A 45 3.722 4.897 -2.231 1.00 0.00 C ATOM 479 CG PHE A 45 3.442 4.592 -3.711 1.00 0.00 C ATOM 480 CD1 PHE A 45 2.419 3.735 -4.094 1.00 0.00 C ATOM 481 CD2 PHE A 45 4.194 5.185 -4.716 1.00 0.00 C ATOM 482 CE1 PHE A 45 2.163 3.504 -5.431 1.00 0.00 C ATOM 483 CE2 PHE A 45 3.942 4.946 -6.045 1.00 0.00 C ATOM 484 CZ PHE A 45 2.926 4.109 -6.401 1.00 0.00 C ATOM 0 H PHE A 45 4.492 5.156 0.131 1.00 0.00 H new ATOM 0 HA PHE A 45 4.212 2.901 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.775 4.920 -1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.157 5.894 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.819 3.246 -3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.999 5.852 -4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.358 2.843 -5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.546 5.419 -6.805 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.721 3.922 -7.445 1.00 0.00 H new ATOM 494 N ARG A 46 6.354 2.726 -2.866 1.00 0.00 N ATOM 495 CA ARG A 46 7.686 2.486 -3.451 1.00 0.00 C ATOM 496 C ARG A 46 7.615 2.527 -4.988 1.00 0.00 C ATOM 497 O ARG A 46 8.389 3.234 -5.642 1.00 0.00 O ATOM 498 CB ARG A 46 8.196 1.099 -2.970 1.00 0.00 C ATOM 499 CG ARG A 46 8.002 0.828 -1.465 1.00 0.00 C ATOM 500 CD ARG A 46 8.823 1.772 -0.578 1.00 0.00 C ATOM 501 NE ARG A 46 10.264 1.463 -0.664 1.00 0.00 N ATOM 502 CZ ARG A 46 11.272 2.345 -0.590 1.00 0.00 C ATOM 503 NH1 ARG A 46 11.047 3.642 -0.450 1.00 0.00 N ATOM 504 NH2 ARG A 46 12.516 1.905 -0.660 1.00 0.00 N ATOM 0 H ARG A 46 5.699 1.956 -3.001 1.00 0.00 H new ATOM 0 HA ARG A 46 8.375 3.266 -3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.681 0.322 -3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.257 1.015 -3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.946 0.930 -1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.283 -0.203 -1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.650 2.804 -0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.490 1.685 0.456 1.00 0.00 H new ATOM 0 HE ARG A 46 10.518 0.483 -0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.090 3.991 -0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.831 4.293 -0.396 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.699 0.907 -0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.294 2.563 -0.605 1.00 0.00 H new ATOM 518 N GLN A 47 6.644 1.776 -5.539 1.00 0.00 N ATOM 519 CA GLN A 47 6.428 1.633 -6.996 1.00 0.00 C ATOM 520 C GLN A 47 5.035 1.032 -7.245 1.00 0.00 C ATOM 521 O GLN A 47 4.403 0.521 -6.312 1.00 0.00 O ATOM 522 CB GLN A 47 7.536 0.748 -7.674 1.00 0.00 C ATOM 523 CG GLN A 47 7.513 -0.770 -7.321 1.00 0.00 C ATOM 524 CD GLN A 47 7.837 -1.073 -5.857 1.00 0.00 C ATOM 525 OE1 GLN A 47 8.987 -1.293 -5.491 1.00 0.00 O ATOM 526 NE2 GLN A 47 6.827 -1.039 -5.000 1.00 0.00 N ATOM 0 H GLN A 47 5.977 1.243 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 47 6.492 2.623 -7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.443 0.850 -8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.511 1.149 -7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.527 -1.172 -7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.229 -1.291 -7.956 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.881 -0.854 -5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.995 -1.198 -4.007 1.00 0.00 H new ATOM 535 N SER A 48 4.597 1.047 -8.511 1.00 0.00 N ATOM 536 CA SER A 48 3.226 0.681 -8.905 1.00 0.00 C ATOM 537 C SER A 48 3.202 -0.172 -10.174 1.00 0.00 C ATOM 538 O SER A 48 4.199 -0.271 -10.901 1.00 0.00 O ATOM 539 CB SER A 48 2.428 1.974 -9.133 1.00 0.00 C ATOM 540 OG SER A 48 3.154 2.872 -9.959 1.00 0.00 O ATOM 0 H SER A 48 5.187 1.315 -9.298 1.00 0.00 H new ATOM 0 HA SER A 48 2.782 0.084 -8.108 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.470 1.739 -9.597 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.211 2.447 -8.175 1.00 0.00 H new ATOM 0 HG SER A 48 2.629 3.689 -10.094 1.00 0.00 H new ATOM 546 N ASN A 49 2.036 -0.780 -10.430 1.00 0.00 N ATOM 547 CA ASN A 49 1.749 -1.483 -11.687 1.00 0.00 C ATOM 548 C ASN A 49 0.669 -0.704 -12.443 1.00 0.00 C ATOM 549 O ASN A 49 -0.341 -0.299 -11.857 1.00 0.00 O ATOM 550 CB ASN A 49 1.291 -2.933 -11.430 1.00 0.00 C ATOM 551 CG ASN A 49 2.342 -3.785 -10.720 1.00 0.00 C ATOM 552 OD1 ASN A 49 3.219 -4.363 -11.357 1.00 0.00 O ATOM 553 ND2 ASN A 49 2.242 -3.896 -9.404 1.00 0.00 N ATOM 0 H ASN A 49 1.261 -0.798 -9.767 1.00 0.00 H new ATOM 0 HA ASN A 49 2.660 -1.536 -12.284 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.381 -2.918 -10.830 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.038 -3.400 -12.382 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.905 -4.475 -8.889 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.502 -3.402 -8.905 1.00 0.00 H new ATOM 560 N ASN A 50 0.893 -0.522 -13.747 1.00 0.00 N ATOM 561 CA ASN A 50 0.057 0.331 -14.617 1.00 0.00 C ATOM 562 C ASN A 50 -1.181 -0.419 -15.155 1.00 0.00 C ATOM 563 O ASN A 50 -2.039 0.176 -15.824 1.00 0.00 O ATOM 564 CB ASN A 50 0.929 0.866 -15.782 1.00 0.00 C ATOM 565 CG ASN A 50 2.117 1.708 -15.295 1.00 0.00 C ATOM 566 OD1 ASN A 50 2.012 2.458 -14.324 1.00 0.00 O ATOM 567 ND2 ASN A 50 3.264 1.563 -15.939 1.00 0.00 N ATOM 0 H ASN A 50 1.668 -0.965 -14.241 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.322 1.164 -14.024 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.301 0.025 -16.368 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.310 1.469 -16.447 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.089 2.079 -15.634 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.323 0.935 -16.740 1.00 0.00 H new ATOM 574 N GLY A 51 -1.251 -1.732 -14.864 1.00 0.00 N ATOM 575 CA GLY A 51 -2.368 -2.581 -15.281 1.00 0.00 C ATOM 576 C GLY A 51 -2.771 -3.599 -14.220 1.00 0.00 C ATOM 577 O GLY A 51 -3.908 -4.073 -14.219 1.00 0.00 O ATOM 0 H GLY A 51 -0.533 -2.227 -14.334 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.226 -1.952 -15.518 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.096 -3.107 -16.196 1.00 0.00 H new ATOM 581 N ILE A 52 -1.849 -3.926 -13.293 1.00 0.00 N ATOM 582 CA ILE A 52 -2.064 -4.994 -12.292 1.00 0.00 C ATOM 583 C ILE A 52 -2.509 -4.326 -10.963 1.00 0.00 C ATOM 584 O ILE A 52 -1.752 -3.514 -10.415 1.00 0.00 O ATOM 585 CB ILE A 52 -0.750 -5.854 -12.051 1.00 0.00 C ATOM 586 CG1 ILE A 52 0.079 -6.055 -13.368 1.00 0.00 C ATOM 587 CG2 ILE A 52 -1.079 -7.231 -11.420 1.00 0.00 C ATOM 588 CD1 ILE A 52 -0.621 -6.836 -14.474 1.00 0.00 C ATOM 0 H ILE A 52 -0.943 -3.464 -13.215 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.830 -5.676 -12.662 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.138 -5.285 -11.351 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.352 -5.074 -13.757 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.007 -6.568 -13.117 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.157 -7.792 -11.269 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.574 -7.083 -10.460 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.738 -7.788 -12.086 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.040 -6.916 -15.337 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.870 -7.834 -14.113 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.535 -6.317 -14.764 1.00 0.00 H new ATOM 600 N PRO A 53 -3.745 -4.628 -10.443 1.00 0.00 N ATOM 601 CA PRO A 53 -4.294 -3.954 -9.236 1.00 0.00 C ATOM 602 C PRO A 53 -3.479 -4.077 -7.884 1.00 0.00 C ATOM 603 O PRO A 53 -3.558 -3.137 -7.075 1.00 0.00 O ATOM 604 CB PRO A 53 -5.744 -4.513 -9.114 1.00 0.00 C ATOM 605 CG PRO A 53 -5.751 -5.779 -9.923 1.00 0.00 C ATOM 606 CD PRO A 53 -4.739 -5.576 -11.032 1.00 0.00 C ATOM 0 HA PRO A 53 -4.238 -2.875 -9.382 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.003 -4.710 -8.074 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.474 -3.799 -9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.485 -6.637 -9.306 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.742 -5.975 -10.331 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.271 -6.516 -11.322 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.204 -5.162 -11.927 1.00 0.00 H new ATOM 614 N PRO A 54 -2.725 -5.194 -7.557 1.00 0.00 N ATOM 615 CA PRO A 54 -1.823 -5.197 -6.383 1.00 0.00 C ATOM 616 C PRO A 54 -0.569 -4.299 -6.599 1.00 0.00 C ATOM 617 O PRO A 54 0.298 -4.598 -7.422 1.00 0.00 O ATOM 618 CB PRO A 54 -1.458 -6.694 -6.204 1.00 0.00 C ATOM 619 CG PRO A 54 -1.581 -7.271 -7.575 1.00 0.00 C ATOM 620 CD PRO A 54 -2.735 -6.528 -8.210 1.00 0.00 C ATOM 0 HA PRO A 54 -2.293 -4.776 -5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.448 -6.813 -5.812 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.132 -7.187 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.662 -7.134 -8.145 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.775 -8.343 -7.536 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.606 -6.442 -9.289 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.680 -7.045 -8.042 1.00 0.00 H new ATOM 628 N VAL A 55 -0.555 -3.153 -5.900 1.00 0.00 N ATOM 629 CA VAL A 55 0.600 -2.240 -5.801 1.00 0.00 C ATOM 630 C VAL A 55 1.488 -2.599 -4.586 1.00 0.00 C ATOM 631 O VAL A 55 0.987 -2.986 -3.533 1.00 0.00 O ATOM 632 CB VAL A 55 0.120 -0.745 -5.697 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.886 -0.524 -4.531 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.320 0.215 -5.581 1.00 0.00 C ATOM 0 H VAL A 55 -1.365 -2.826 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 55 1.194 -2.355 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.412 -0.520 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.186 0.524 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.765 -1.149 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.412 -0.791 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.959 1.241 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.896 -0.029 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.954 0.113 -6.462 1.00 0.00 H new ATOM 644 N GLN A 56 2.820 -2.456 -4.749 1.00 0.00 N ATOM 645 CA GLN A 56 3.799 -2.820 -3.711 1.00 0.00 C ATOM 646 C GLN A 56 4.150 -1.579 -2.845 1.00 0.00 C ATOM 647 O GLN A 56 4.462 -0.497 -3.366 1.00 0.00 O ATOM 648 CB GLN A 56 5.088 -3.426 -4.333 1.00 0.00 C ATOM 649 CG GLN A 56 4.944 -4.745 -5.119 1.00 0.00 C ATOM 650 CD GLN A 56 4.154 -4.608 -6.423 1.00 0.00 C ATOM 651 OE1 GLN A 56 4.702 -4.274 -7.467 1.00 0.00 O ATOM 652 NE2 GLN A 56 2.860 -4.867 -6.368 1.00 0.00 N ATOM 0 H GLN A 56 3.242 -2.087 -5.601 1.00 0.00 H new ATOM 0 HA GLN A 56 3.346 -3.581 -3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.522 -2.682 -5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.805 -3.590 -3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.938 -5.131 -5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.453 -5.483 -4.484 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.432 -5.143 -5.484 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.288 -4.791 -7.209 1.00 0.00 H new ATOM 661 N VAL A 57 4.108 -1.784 -1.521 1.00 0.00 N ATOM 662 CA VAL A 57 4.367 -0.759 -0.478 1.00 0.00 C ATOM 663 C VAL A 57 5.187 -1.410 0.634 1.00 0.00 C ATOM 664 O VAL A 57 4.908 -2.548 1.013 1.00 0.00 O ATOM 665 CB VAL A 57 3.019 -0.169 0.135 1.00 0.00 C ATOM 666 CG1 VAL A 57 2.656 1.192 -0.472 1.00 0.00 C ATOM 667 CG2 VAL A 57 1.847 -1.160 -0.030 1.00 0.00 C ATOM 0 H VAL A 57 3.886 -2.697 -1.124 1.00 0.00 H new ATOM 0 HA VAL A 57 4.905 0.072 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 57 3.199 -0.019 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.731 1.555 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.458 1.904 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.521 1.086 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.942 -0.728 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.687 -1.361 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.083 -2.091 0.485 1.00 0.00 H new ATOM 677 N PHE A 58 6.204 -0.693 1.143 1.00 0.00 N ATOM 678 CA PHE A 58 7.101 -1.219 2.182 1.00 0.00 C ATOM 679 C PHE A 58 6.421 -1.067 3.543 1.00 0.00 C ATOM 680 O PHE A 58 6.263 0.048 4.041 1.00 0.00 O ATOM 681 CB PHE A 58 8.470 -0.487 2.162 1.00 0.00 C ATOM 682 CG PHE A 58 9.521 -1.081 3.107 1.00 0.00 C ATOM 683 CD1 PHE A 58 9.642 -0.638 4.428 1.00 0.00 C ATOM 684 CD2 PHE A 58 10.387 -2.084 2.673 1.00 0.00 C ATOM 685 CE1 PHE A 58 10.586 -1.180 5.274 1.00 0.00 C ATOM 686 CE2 PHE A 58 11.333 -2.623 3.523 1.00 0.00 C ATOM 687 CZ PHE A 58 11.432 -2.170 4.821 1.00 0.00 C ATOM 0 H PHE A 58 6.425 0.258 0.848 1.00 0.00 H new ATOM 0 HA PHE A 58 7.298 -2.274 1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.862 -0.504 1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.313 0.559 2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.986 0.140 4.791 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.317 -2.445 1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.663 -0.829 6.292 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.995 -3.400 3.170 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.173 -2.591 5.484 1.00 0.00 H new ATOM 697 N TRP A 59 6.011 -2.200 4.111 1.00 0.00 N ATOM 698 CA TRP A 59 5.378 -2.265 5.424 1.00 0.00 C ATOM 699 C TRP A 59 6.442 -2.534 6.484 1.00 0.00 C ATOM 700 O TRP A 59 7.109 -3.574 6.446 1.00 0.00 O ATOM 701 CB TRP A 59 4.305 -3.372 5.440 1.00 0.00 C ATOM 702 CG TRP A 59 3.246 -3.165 4.396 1.00 0.00 C ATOM 703 CD1 TRP A 59 3.147 -3.786 3.184 1.00 0.00 C ATOM 704 CD2 TRP A 59 2.158 -2.243 4.468 1.00 0.00 C ATOM 705 NE1 TRP A 59 2.054 -3.317 2.510 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.433 -2.361 3.279 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.733 -1.326 5.431 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.294 -1.597 3.028 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.609 -0.571 5.180 1.00 0.00 C ATOM 710 CH2 TRP A 59 -0.098 -0.707 3.985 1.00 0.00 C ATOM 0 H TRP A 59 6.111 -3.111 3.664 1.00 0.00 H new ATOM 0 HA TRP A 59 4.891 -1.314 5.642 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.783 -4.339 5.281 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.838 -3.406 6.424 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.830 -4.536 2.813 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.749 -3.626 1.587 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.276 -1.211 6.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.259 -1.706 2.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.269 0.138 5.920 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.972 -0.096 3.814 1.00 0.00 H new ATOM 721 N GLN A 60 6.593 -1.577 7.407 1.00 0.00 N ATOM 722 CA GLN A 60 7.488 -1.690 8.577 1.00 0.00 C ATOM 723 C GLN A 60 7.075 -2.865 9.494 1.00 0.00 C ATOM 724 O GLN A 60 7.909 -3.420 10.214 1.00 0.00 O ATOM 725 CB GLN A 60 7.469 -0.356 9.370 1.00 0.00 C ATOM 726 CG GLN A 60 6.062 0.076 9.842 1.00 0.00 C ATOM 727 CD GLN A 60 6.076 1.307 10.738 1.00 0.00 C ATOM 728 OE1 GLN A 60 5.972 2.442 10.271 1.00 0.00 O ATOM 729 NE2 GLN A 60 6.229 1.084 12.031 1.00 0.00 N ATOM 0 H GLN A 60 6.093 -0.689 7.367 1.00 0.00 H new ATOM 0 HA GLN A 60 8.498 -1.891 8.221 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.119 -0.453 10.240 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.889 0.432 8.745 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.440 0.278 8.970 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.598 -0.751 10.380 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.311 0.128 12.377 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.265 1.868 12.683 1.00 0.00 H new ATOM 738 N SER A 61 5.773 -3.218 9.436 1.00 0.00 N ATOM 739 CA SER A 61 5.162 -4.285 10.248 1.00 0.00 C ATOM 740 C SER A 61 5.813 -5.652 9.976 1.00 0.00 C ATOM 741 O SER A 61 6.124 -6.406 10.903 1.00 0.00 O ATOM 742 CB SER A 61 3.657 -4.359 9.917 1.00 0.00 C ATOM 743 OG SER A 61 2.998 -5.387 10.642 1.00 0.00 O ATOM 0 H SER A 61 5.108 -2.760 8.812 1.00 0.00 H new ATOM 0 HA SER A 61 5.316 -4.048 11.301 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.190 -3.401 10.143 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.530 -4.532 8.848 1.00 0.00 H new ATOM 0 HG SER A 61 2.091 -5.505 10.291 1.00 0.00 H new ATOM 749 N THR A 62 6.010 -5.945 8.685 1.00 0.00 N ATOM 750 CA THR A 62 6.576 -7.220 8.208 1.00 0.00 C ATOM 751 C THR A 62 8.036 -7.026 7.729 1.00 0.00 C ATOM 752 O THR A 62 8.748 -8.001 7.466 1.00 0.00 O ATOM 753 CB THR A 62 5.676 -7.815 7.071 1.00 0.00 C ATOM 754 OG1 THR A 62 6.233 -9.041 6.571 1.00 0.00 O ATOM 755 CG2 THR A 62 5.465 -6.823 5.910 1.00 0.00 C ATOM 0 H THR A 62 5.779 -5.298 7.931 1.00 0.00 H new ATOM 0 HA THR A 62 6.594 -7.930 9.035 1.00 0.00 H new ATOM 0 HB THR A 62 4.701 -8.015 7.515 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.175 -9.103 6.832 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.835 -7.283 5.148 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.981 -5.921 6.285 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.430 -6.562 5.474 1.00 0.00 H new ATOM 763 N GLY A 63 8.464 -5.750 7.628 1.00 0.00 N ATOM 764 CA GLY A 63 9.836 -5.398 7.256 1.00 0.00 C ATOM 765 C GLY A 63 10.130 -5.516 5.765 1.00 0.00 C ATOM 766 O GLY A 63 11.305 -5.544 5.370 1.00 0.00 O ATOM 0 H GLY A 63 7.865 -4.943 7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.035 -4.375 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.525 -6.042 7.803 1.00 0.00 H new ATOM 770 N ARG A 64 9.071 -5.583 4.930 1.00 0.00 N ATOM 771 CA ARG A 64 9.210 -5.843 3.483 1.00 0.00 C ATOM 772 C ARG A 64 8.056 -5.236 2.682 1.00 0.00 C ATOM 773 O ARG A 64 7.010 -4.866 3.235 1.00 0.00 O ATOM 774 CB ARG A 64 9.330 -7.370 3.239 1.00 0.00 C ATOM 775 CG ARG A 64 8.127 -8.189 3.747 1.00 0.00 C ATOM 776 CD ARG A 64 8.374 -9.705 3.716 1.00 0.00 C ATOM 777 NE ARG A 64 8.734 -10.182 2.367 1.00 0.00 N ATOM 778 CZ ARG A 64 7.897 -10.734 1.479 1.00 0.00 C ATOM 779 NH1 ARG A 64 6.599 -10.835 1.729 1.00 0.00 N ATOM 780 NH2 ARG A 64 8.371 -11.163 0.323 1.00 0.00 N ATOM 0 H ARG A 64 8.106 -5.460 5.237 1.00 0.00 H new ATOM 0 HA ARG A 64 10.120 -5.357 3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.450 -7.547 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.235 -7.734 3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.894 -7.886 4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.254 -7.957 3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.173 -9.956 4.414 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.478 -10.225 4.057 1.00 0.00 H new ATOM 0 HE ARG A 64 9.709 -10.082 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.221 -10.489 2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.978 -11.259 1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.365 -11.072 0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.743 -11.585 -0.361 1.00 0.00 H new ATOM 794 N THR A 65 8.277 -5.162 1.365 1.00 0.00 N ATOM 795 CA THR A 65 7.362 -4.574 0.402 1.00 0.00 C ATOM 796 C THR A 65 6.373 -5.654 -0.088 1.00 0.00 C ATOM 797 O THR A 65 6.795 -6.669 -0.651 1.00 0.00 O ATOM 798 CB THR A 65 8.199 -3.994 -0.793 1.00 0.00 C ATOM 799 OG1 THR A 65 9.402 -3.379 -0.297 1.00 0.00 O ATOM 800 CG2 THR A 65 7.435 -2.948 -1.581 1.00 0.00 C ATOM 0 H THR A 65 9.128 -5.524 0.934 1.00 0.00 H new ATOM 0 HA THR A 65 6.788 -3.767 0.858 1.00 0.00 H new ATOM 0 HB THR A 65 8.425 -4.833 -1.451 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.920 -3.021 -1.048 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.058 -2.579 -2.396 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.528 -3.392 -1.991 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.169 -2.120 -0.924 1.00 0.00 H new ATOM 808 N TYR A 66 5.061 -5.434 0.123 1.00 0.00 N ATOM 809 CA TYR A 66 4.030 -6.451 -0.169 1.00 0.00 C ATOM 810 C TYR A 66 2.933 -5.867 -1.072 1.00 0.00 C ATOM 811 O TYR A 66 2.716 -4.648 -1.120 1.00 0.00 O ATOM 812 CB TYR A 66 3.422 -7.003 1.157 1.00 0.00 C ATOM 813 CG TYR A 66 2.749 -8.389 1.025 1.00 0.00 C ATOM 814 CD1 TYR A 66 3.530 -9.541 0.927 1.00 0.00 C ATOM 815 CD2 TYR A 66 1.355 -8.552 0.994 1.00 0.00 C ATOM 816 CE1 TYR A 66 2.964 -10.788 0.799 1.00 0.00 C ATOM 817 CE2 TYR A 66 0.786 -9.808 0.868 1.00 0.00 C ATOM 818 CZ TYR A 66 1.598 -10.920 0.769 1.00 0.00 C ATOM 819 OH TYR A 66 1.043 -12.171 0.628 1.00 0.00 O ATOM 0 H TYR A 66 4.689 -4.560 0.495 1.00 0.00 H new ATOM 0 HA TYR A 66 4.500 -7.278 -0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.212 -7.066 1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.687 -6.290 1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.606 -9.451 0.952 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.716 -7.684 1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.593 -11.662 0.722 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.288 -9.917 0.847 1.00 0.00 H new ATOM 0 HH TYR A 66 1.638 -12.840 1.027 1.00 0.00 H new ATOM 829 N TRP A 67 2.243 -6.785 -1.756 1.00 0.00 N ATOM 830 CA TRP A 67 1.237 -6.503 -2.780 1.00 0.00 C ATOM 831 C TRP A 67 -0.129 -6.235 -2.112 1.00 0.00 C ATOM 832 O TRP A 67 -0.672 -7.119 -1.446 1.00 0.00 O ATOM 833 CB TRP A 67 1.144 -7.731 -3.738 1.00 0.00 C ATOM 834 CG TRP A 67 2.452 -8.137 -4.392 1.00 0.00 C ATOM 835 CD1 TRP A 67 2.862 -7.832 -5.653 1.00 0.00 C ATOM 836 CD2 TRP A 67 3.506 -8.944 -3.825 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.105 -8.351 -5.888 1.00 0.00 N ATOM 838 CE2 TRP A 67 4.518 -9.048 -4.794 1.00 0.00 C ATOM 839 CE3 TRP A 67 3.694 -9.582 -2.596 1.00 0.00 C ATOM 840 CZ2 TRP A 67 5.700 -9.752 -4.572 1.00 0.00 C ATOM 841 CZ3 TRP A 67 4.863 -10.285 -2.373 1.00 0.00 C ATOM 842 CH2 TRP A 67 5.854 -10.368 -3.358 1.00 0.00 C ATOM 0 H TRP A 67 2.377 -7.785 -1.604 1.00 0.00 H new ATOM 0 HA TRP A 67 1.519 -5.617 -3.350 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.757 -8.582 -3.177 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.418 -7.508 -4.520 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.287 -7.261 -6.367 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.639 -8.234 -6.749 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.935 -9.526 -1.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 6.467 -9.810 -5.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.014 -10.778 -1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 67 6.756 -10.927 -3.158 1.00 0.00 H new ATOM 853 N VAL A 68 -0.659 -5.007 -2.272 1.00 0.00 N ATOM 854 CA VAL A 68 -1.969 -4.592 -1.713 1.00 0.00 C ATOM 855 C VAL A 68 -2.819 -3.935 -2.814 1.00 0.00 C ATOM 856 O VAL A 68 -2.280 -3.437 -3.789 1.00 0.00 O ATOM 857 CB VAL A 68 -1.828 -3.602 -0.480 1.00 0.00 C ATOM 858 CG1 VAL A 68 -0.845 -4.153 0.588 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.446 -2.166 -0.924 1.00 0.00 C ATOM 0 H VAL A 68 -0.191 -4.267 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.459 -5.493 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.811 -3.537 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.775 -3.448 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.209 -5.112 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.140 -4.287 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.361 -1.525 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.492 -2.190 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.217 -1.773 -1.587 1.00 0.00 H new ATOM 869 N HIS A 69 -4.143 -3.904 -2.633 1.00 0.00 N ATOM 870 CA HIS A 69 -5.077 -3.358 -3.635 1.00 0.00 C ATOM 871 C HIS A 69 -5.240 -1.836 -3.441 1.00 0.00 C ATOM 872 O HIS A 69 -5.179 -1.345 -2.309 1.00 0.00 O ATOM 873 CB HIS A 69 -6.443 -4.078 -3.538 1.00 0.00 C ATOM 874 CG HIS A 69 -7.435 -3.684 -4.602 1.00 0.00 C ATOM 875 ND1 HIS A 69 -8.749 -3.383 -4.337 1.00 0.00 N ATOM 876 CD2 HIS A 69 -7.289 -3.556 -5.942 1.00 0.00 C ATOM 877 CE1 HIS A 69 -9.362 -3.088 -5.466 1.00 0.00 C ATOM 878 NE2 HIS A 69 -8.502 -3.185 -6.452 1.00 0.00 N ATOM 0 H HIS A 69 -4.601 -4.255 -1.792 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.669 -3.531 -4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.277 -5.154 -3.595 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.878 -3.874 -2.560 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.182 -3.387 -3.413 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.381 -3.717 -6.505 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.402 -2.812 -5.563 1.00 0.00 H new ATOM 887 N TRP A 70 -5.464 -1.114 -4.566 1.00 0.00 N ATOM 888 CA TRP A 70 -5.618 0.361 -4.588 1.00 0.00 C ATOM 889 C TRP A 70 -6.770 0.827 -3.664 1.00 0.00 C ATOM 890 O TRP A 70 -6.583 1.686 -2.804 1.00 0.00 O ATOM 891 CB TRP A 70 -5.912 0.849 -6.031 1.00 0.00 C ATOM 892 CG TRP A 70 -4.893 0.451 -7.070 1.00 0.00 C ATOM 893 CD1 TRP A 70 -5.026 -0.521 -8.021 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.597 1.036 -7.277 1.00 0.00 C ATOM 895 NE1 TRP A 70 -3.894 -0.585 -8.791 1.00 0.00 N ATOM 896 CE2 TRP A 70 -3.002 0.358 -8.357 1.00 0.00 C ATOM 897 CE3 TRP A 70 -2.879 2.062 -6.649 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.733 0.674 -8.829 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.619 2.375 -7.120 1.00 0.00 C ATOM 900 CH2 TRP A 70 -1.057 1.682 -8.198 1.00 0.00 C ATOM 0 H TRP A 70 -5.543 -1.541 -5.489 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.682 0.789 -4.229 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.885 0.464 -6.335 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.989 1.936 -6.020 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -5.896 -1.148 -8.148 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.741 -1.232 -9.564 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.303 2.598 -5.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -1.297 0.143 -9.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.058 3.168 -6.648 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.068 1.949 -8.539 1.00 0.00 H new ATOM 911 N HIS A 71 -7.953 0.196 -3.829 1.00 0.00 N ATOM 912 CA HIS A 71 -9.190 0.558 -3.086 1.00 0.00 C ATOM 913 C HIS A 71 -9.125 0.118 -1.599 1.00 0.00 C ATOM 914 O HIS A 71 -10.048 0.369 -0.815 1.00 0.00 O ATOM 915 CB HIS A 71 -10.410 -0.071 -3.812 1.00 0.00 C ATOM 916 CG HIS A 71 -11.762 0.367 -3.300 1.00 0.00 C ATOM 917 ND1 HIS A 71 -12.464 -0.327 -2.339 1.00 0.00 N ATOM 918 CD2 HIS A 71 -12.528 1.434 -3.613 1.00 0.00 C ATOM 919 CE1 HIS A 71 -13.597 0.291 -2.087 1.00 0.00 C ATOM 920 NE2 HIS A 71 -13.661 1.363 -2.846 1.00 0.00 N ATOM 0 H HIS A 71 -8.082 -0.579 -4.480 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.292 1.643 -3.076 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.345 0.172 -4.873 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.342 -1.156 -3.728 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -12.291 2.202 -4.335 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -14.347 -0.027 -1.378 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -14.430 2.033 -2.861 1.00 0.00 H new ATOM 929 N MET A 72 -8.016 -0.529 -1.221 1.00 0.00 N ATOM 930 CA MET A 72 -7.786 -1.050 0.132 1.00 0.00 C ATOM 931 C MET A 72 -6.529 -0.418 0.753 1.00 0.00 C ATOM 932 O MET A 72 -6.045 -0.878 1.793 1.00 0.00 O ATOM 933 CB MET A 72 -7.690 -2.595 0.036 1.00 0.00 C ATOM 934 CG MET A 72 -9.016 -3.258 -0.401 1.00 0.00 C ATOM 935 SD MET A 72 -8.795 -4.823 -1.265 1.00 0.00 S ATOM 936 CE MET A 72 -7.924 -5.790 -0.046 1.00 0.00 C ATOM 0 H MET A 72 -7.240 -0.708 -1.858 1.00 0.00 H new ATOM 0 HA MET A 72 -8.611 -0.787 0.794 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.906 -2.861 -0.673 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.392 -2.996 1.005 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.636 -3.424 0.480 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.560 -2.570 -1.048 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.490 -6.670 -0.521 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.130 -5.188 0.396 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.618 -6.104 0.733 1.00 0.00 H new ATOM 946 N LEU A 73 -6.041 0.676 0.134 1.00 0.00 N ATOM 947 CA LEU A 73 -4.850 1.411 0.585 1.00 0.00 C ATOM 948 C LEU A 73 -5.222 2.889 0.832 1.00 0.00 C ATOM 949 O LEU A 73 -5.734 3.563 -0.069 1.00 0.00 O ATOM 950 CB LEU A 73 -3.721 1.293 -0.478 1.00 0.00 C ATOM 951 CG LEU A 73 -2.324 1.851 -0.054 1.00 0.00 C ATOM 952 CD1 LEU A 73 -1.777 1.089 1.176 1.00 0.00 C ATOM 953 CD2 LEU A 73 -1.320 1.817 -1.235 1.00 0.00 C ATOM 0 H LEU A 73 -6.470 1.075 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.485 0.982 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.606 0.242 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.041 1.815 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.453 2.895 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.804 1.495 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.468 1.202 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.673 0.032 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.359 2.212 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.193 0.789 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.701 2.426 -2.055 1.00 0.00 H new ATOM 965 N GLU A 74 -4.947 3.370 2.055 1.00 0.00 N ATOM 966 CA GLU A 74 -5.233 4.753 2.492 1.00 0.00 C ATOM 967 C GLU A 74 -3.925 5.545 2.576 1.00 0.00 C ATOM 968 O GLU A 74 -2.897 4.985 2.936 1.00 0.00 O ATOM 969 CB GLU A 74 -5.934 4.730 3.882 1.00 0.00 C ATOM 970 CG GLU A 74 -6.295 6.118 4.463 1.00 0.00 C ATOM 971 CD GLU A 74 -7.294 6.903 3.594 1.00 0.00 C ATOM 972 OE1 GLU A 74 -8.520 6.697 3.745 1.00 0.00 O ATOM 973 OE2 GLU A 74 -6.867 7.720 2.745 1.00 0.00 O ATOM 0 H GLU A 74 -4.513 2.802 2.783 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.894 5.232 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.847 4.140 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.284 4.216 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.716 5.988 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.383 6.705 4.576 1.00 0.00 H new ATOM 980 N ILE A 75 -3.952 6.837 2.206 1.00 0.00 N ATOM 981 CA ILE A 75 -2.764 7.714 2.269 1.00 0.00 C ATOM 982 C ILE A 75 -2.931 8.838 3.308 1.00 0.00 C ATOM 983 O ILE A 75 -3.945 9.536 3.332 1.00 0.00 O ATOM 984 CB ILE A 75 -2.400 8.297 0.855 1.00 0.00 C ATOM 985 CG1 ILE A 75 -3.584 9.099 0.216 1.00 0.00 C ATOM 986 CG2 ILE A 75 -1.961 7.150 -0.075 1.00 0.00 C ATOM 987 CD1 ILE A 75 -3.288 9.685 -1.160 1.00 0.00 C ATOM 0 H ILE A 75 -4.790 7.302 1.857 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.930 7.093 2.596 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.579 9.002 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.450 8.441 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.861 9.910 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.708 7.553 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.089 6.652 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.775 6.432 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.164 10.222 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.445 10.372 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.043 8.880 -1.853 1.00 0.00 H new ATOM 999 N LEU A 76 -1.932 8.970 4.198 1.00 0.00 N ATOM 1000 CA LEU A 76 -1.830 10.086 5.170 1.00 0.00 C ATOM 1001 C LEU A 76 -0.595 10.959 4.853 1.00 0.00 C ATOM 1002 O LEU A 76 -0.269 11.882 5.608 1.00 0.00 O ATOM 1003 CB LEU A 76 -1.770 9.549 6.640 1.00 0.00 C ATOM 1004 CG LEU A 76 -3.115 9.056 7.286 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -4.203 10.150 7.236 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -3.614 7.737 6.663 1.00 0.00 C ATOM 0 H LEU A 76 -1.164 8.303 4.268 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.724 10.703 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.060 8.722 6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.363 10.339 7.271 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.901 8.850 8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.119 9.773 7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.861 11.029 7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.399 10.421 6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.546 7.438 7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.785 7.880 5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.865 6.959 6.809 1.00 0.00 H new ATOM 1018 N GLY A 77 0.077 10.652 3.723 1.00 0.00 N ATOM 1019 CA GLY A 77 1.227 11.425 3.249 1.00 0.00 C ATOM 1020 C GLY A 77 0.843 12.843 2.813 1.00 0.00 C ATOM 1021 O GLY A 77 1.400 13.813 3.344 1.00 0.00 O ATOM 0 H GLY A 77 -0.167 9.865 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.974 11.482 4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.690 10.904 2.411 1.00 0.00 H new TER 1025 GLY A 77