USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=13 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 180:sc= 0.128 USER MOD Set 1.2: A 72 MET CE :methyl 161:sc= -0.261 (180deg=-0.0423) USER MOD Set 2.1: A 49 ASN : amide:sc= 0.437 X(o=-0.27,f=-0.008) USER MOD Set 2.2: A 56 GLN : amide:sc= -0.704 X(o=-0.27,f=-0.008) USER MOD Single : A 14 TYR OH : rot 70:sc= -0.893 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 20 GLN : amide:sc=-0.00314 X(o=-0.0031,f=-0.0031) USER MOD Single : A 21 THR OG1 : rot -30:sc= 0.435 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 26 MET CE :methyl -179:sc= -0.961 (180deg=-0.974) USER MOD Single : A 30 MET CE :methyl 173:sc=-0.00945 (180deg=-0.114) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -5.69! K(o=-5.7!,f=-2.7) 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) USER MOD Single : A 60 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 80:sc= -0.0197 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.635 USER MOD Single : A 69 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.26) USER MOD Single : A 71 HIS : no HD1:sc= -0.915 K(o=-0.91,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.203 5.702 -4.880 1.00 0.00 N ATOM 2 CA TYR A 14 -11.028 5.921 -4.012 1.00 0.00 C ATOM 3 C TYR A 14 -9.807 5.154 -4.539 1.00 0.00 C ATOM 4 O TYR A 14 -8.696 5.667 -4.501 1.00 0.00 O ATOM 5 CB TYR A 14 -11.348 5.507 -2.551 1.00 0.00 C ATOM 6 CG TYR A 14 -10.222 5.794 -1.531 1.00 0.00 C ATOM 7 CD1 TYR A 14 -9.818 7.109 -1.265 1.00 0.00 C ATOM 8 CD2 TYR A 14 -9.577 4.761 -0.834 1.00 0.00 C ATOM 9 CE1 TYR A 14 -8.820 7.381 -0.349 1.00 0.00 C ATOM 10 CE2 TYR A 14 -8.576 5.033 0.085 1.00 0.00 C ATOM 11 CZ TYR A 14 -8.201 6.346 0.323 1.00 0.00 C ATOM 12 OH TYR A 14 -7.202 6.628 1.234 1.00 0.00 O ATOM 0 HA TYR A 14 -10.788 6.984 -4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.250 6.028 -2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.572 4.441 -2.532 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.296 7.926 -1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.866 3.736 -1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.524 8.402 -0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.090 4.226 0.613 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.591 7.060 2.023 1.00 0.00 H new ATOM 22 N GLY A 15 -10.040 3.931 -5.048 1.00 0.00 N ATOM 23 CA GLY A 15 -8.963 3.100 -5.599 1.00 0.00 C ATOM 24 C GLY A 15 -8.334 3.687 -6.858 1.00 0.00 C ATOM 25 O GLY A 15 -7.111 3.648 -7.033 1.00 0.00 O ATOM 0 H GLY A 15 -10.964 3.500 -5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.190 2.970 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.357 2.109 -5.826 1.00 0.00 H new ATOM 29 N GLU A 16 -9.182 4.239 -7.731 1.00 0.00 N ATOM 30 CA GLU A 16 -8.738 4.905 -8.965 1.00 0.00 C ATOM 31 C GLU A 16 -8.052 6.250 -8.633 1.00 0.00 C ATOM 32 O GLU A 16 -7.054 6.619 -9.257 1.00 0.00 O ATOM 33 CB GLU A 16 -9.941 5.092 -9.923 1.00 0.00 C ATOM 34 CG GLU A 16 -9.567 5.567 -11.347 1.00 0.00 C ATOM 35 CD GLU A 16 -10.690 5.352 -12.380 1.00 0.00 C ATOM 36 OE1 GLU A 16 -11.815 5.834 -12.157 1.00 0.00 O ATOM 37 OE2 GLU A 16 -10.456 4.686 -13.416 1.00 0.00 O ATOM 0 H GLU A 16 -10.194 4.238 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.001 4.281 -9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.477 4.146 -10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.629 5.814 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.313 6.626 -11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.674 5.035 -11.676 1.00 0.00 H new ATOM 44 N TYR A 17 -8.578 6.938 -7.596 1.00 0.00 N ATOM 45 CA TYR A 17 -8.068 8.240 -7.123 1.00 0.00 C ATOM 46 C TYR A 17 -6.641 8.112 -6.573 1.00 0.00 C ATOM 47 O TYR A 17 -5.750 8.879 -6.967 1.00 0.00 O ATOM 48 CB TYR A 17 -9.026 8.797 -6.029 1.00 0.00 C ATOM 49 CG TYR A 17 -8.463 9.936 -5.153 1.00 0.00 C ATOM 50 CD1 TYR A 17 -8.331 11.234 -5.647 1.00 0.00 C ATOM 51 CD2 TYR A 17 -8.070 9.702 -3.826 1.00 0.00 C ATOM 52 CE1 TYR A 17 -7.834 12.255 -4.856 1.00 0.00 C ATOM 53 CE2 TYR A 17 -7.569 10.718 -3.037 1.00 0.00 C ATOM 54 CZ TYR A 17 -7.453 11.994 -3.553 1.00 0.00 C ATOM 55 OH TYR A 17 -6.964 13.016 -2.761 1.00 0.00 O ATOM 0 H TYR A 17 -9.377 6.600 -7.059 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.033 8.931 -7.965 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -9.933 9.155 -6.516 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.318 7.974 -5.377 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.622 11.446 -6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.161 8.708 -3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.744 13.254 -5.256 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.269 10.516 -2.019 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.743 12.665 -1.873 1.00 0.00 H new ATOM 65 N VAL A 18 -6.433 7.117 -5.679 1.00 0.00 N ATOM 66 CA VAL A 18 -5.137 6.909 -5.014 1.00 0.00 C ATOM 67 C VAL A 18 -4.061 6.555 -6.045 1.00 0.00 C ATOM 68 O VAL A 18 -2.960 7.096 -5.984 1.00 0.00 O ATOM 69 CB VAL A 18 -5.179 5.841 -3.847 1.00 0.00 C ATOM 70 CG1 VAL A 18 -6.106 6.298 -2.702 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.579 4.446 -4.352 1.00 0.00 C ATOM 0 H VAL A 18 -7.152 6.447 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.884 7.855 -4.535 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.165 5.764 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.113 5.543 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.743 7.242 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.118 6.433 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.594 3.747 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.570 4.493 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.857 4.107 -5.095 1.00 0.00 H new ATOM 81 N GLN A 19 -4.433 5.728 -7.046 1.00 0.00 N ATOM 82 CA GLN A 19 -3.518 5.298 -8.121 1.00 0.00 C ATOM 83 C GLN A 19 -2.906 6.510 -8.850 1.00 0.00 C ATOM 84 O GLN A 19 -1.718 6.509 -9.180 1.00 0.00 O ATOM 85 CB GLN A 19 -4.261 4.378 -9.129 1.00 0.00 C ATOM 86 CG GLN A 19 -3.373 3.864 -10.286 1.00 0.00 C ATOM 87 CD GLN A 19 -4.095 2.951 -11.281 1.00 0.00 C ATOM 88 OE1 GLN A 19 -5.018 2.213 -10.925 1.00 0.00 O ATOM 89 NE2 GLN A 19 -3.681 3.008 -12.542 1.00 0.00 N ATOM 0 H GLN A 19 -5.373 5.342 -7.130 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.704 4.734 -7.665 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.670 3.523 -8.591 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.106 4.924 -9.548 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.968 4.721 -10.825 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.525 3.323 -9.865 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.915 3.630 -12.800 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.129 2.430 -13.253 1.00 0.00 H new ATOM 98 N GLN A 20 -3.729 7.553 -9.056 1.00 0.00 N ATOM 99 CA GLN A 20 -3.310 8.775 -9.760 1.00 0.00 C ATOM 100 C GLN A 20 -2.478 9.703 -8.837 1.00 0.00 C ATOM 101 O GLN A 20 -1.500 10.317 -9.286 1.00 0.00 O ATOM 102 CB GLN A 20 -4.549 9.542 -10.304 1.00 0.00 C ATOM 103 CG GLN A 20 -5.518 8.707 -11.171 1.00 0.00 C ATOM 104 CD GLN A 20 -4.841 7.971 -12.335 1.00 0.00 C ATOM 105 OE1 GLN A 20 -4.698 8.511 -13.431 1.00 0.00 O ATOM 106 NE2 GLN A 20 -4.439 6.725 -12.106 1.00 0.00 N ATOM 0 H GLN A 20 -4.699 7.572 -8.740 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.680 8.473 -10.597 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.104 9.948 -9.458 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.200 10.390 -10.893 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.019 7.977 -10.536 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.290 9.365 -11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.573 6.307 -11.185 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.997 6.187 -12.851 1.00 0.00 H new ATOM 115 N THR A 21 -2.873 9.802 -7.544 1.00 0.00 N ATOM 116 CA THR A 21 -2.263 10.763 -6.588 1.00 0.00 C ATOM 117 C THR A 21 -1.108 10.143 -5.750 1.00 0.00 C ATOM 118 O THR A 21 -0.530 10.831 -4.903 1.00 0.00 O ATOM 119 CB THR A 21 -3.361 11.406 -5.662 1.00 0.00 C ATOM 120 OG1 THR A 21 -2.819 12.515 -4.919 1.00 0.00 O ATOM 121 CG2 THR A 21 -3.981 10.400 -4.686 1.00 0.00 C ATOM 0 H THR A 21 -3.612 9.228 -7.138 1.00 0.00 H new ATOM 0 HA THR A 21 -1.810 11.552 -7.188 1.00 0.00 H new ATOM 0 HB THR A 21 -4.151 11.754 -6.328 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.865 12.363 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.731 10.901 -4.074 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.451 9.592 -5.246 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.203 9.990 -4.042 1.00 0.00 H new ATOM 129 N LEU A 22 -0.760 8.859 -5.996 1.00 0.00 N ATOM 130 CA LEU A 22 0.380 8.194 -5.307 1.00 0.00 C ATOM 131 C LEU A 22 1.725 8.778 -5.823 1.00 0.00 C ATOM 132 O LEU A 22 1.957 8.833 -7.036 1.00 0.00 O ATOM 133 CB LEU A 22 0.346 6.622 -5.486 1.00 0.00 C ATOM 134 CG LEU A 22 0.086 5.750 -4.197 1.00 0.00 C ATOM 135 CD1 LEU A 22 0.881 6.254 -2.990 1.00 0.00 C ATOM 136 CD2 LEU A 22 -1.400 5.631 -3.852 1.00 0.00 C ATOM 0 H LEU A 22 -1.248 8.261 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 22 0.288 8.395 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.427 6.383 -6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.298 6.311 -5.916 1.00 0.00 H new ATOM 0 HG LEU A 22 0.443 4.750 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.670 5.623 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.947 6.217 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.593 7.281 -2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.518 5.020 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.812 6.624 -3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.930 5.164 -4.682 1.00 0.00 H new ATOM 148 N GLN A 23 2.589 9.211 -4.886 1.00 0.00 N ATOM 149 CA GLN A 23 3.915 9.816 -5.185 1.00 0.00 C ATOM 150 C GLN A 23 5.039 8.920 -4.616 1.00 0.00 C ATOM 151 O GLN A 23 4.924 8.473 -3.464 1.00 0.00 O ATOM 152 CB GLN A 23 3.999 11.237 -4.563 1.00 0.00 C ATOM 153 CG GLN A 23 2.962 12.244 -5.107 1.00 0.00 C ATOM 154 CD GLN A 23 2.972 13.567 -4.336 1.00 0.00 C ATOM 155 OE1 GLN A 23 2.246 13.734 -3.358 1.00 0.00 O ATOM 156 NE2 GLN A 23 3.817 14.496 -4.748 1.00 0.00 N ATOM 0 H GLN A 23 2.391 9.153 -3.887 1.00 0.00 H new ATOM 0 HA GLN A 23 4.038 9.896 -6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.872 11.154 -3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.998 11.636 -4.737 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.166 12.439 -6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.967 11.802 -5.052 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.405 14.325 -5.564 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.881 15.384 -4.250 1.00 0.00 H new ATOM 165 N PRO A 24 6.134 8.621 -5.408 1.00 0.00 N ATOM 166 CA PRO A 24 7.223 7.697 -4.981 1.00 0.00 C ATOM 167 C PRO A 24 7.990 8.208 -3.743 1.00 0.00 C ATOM 168 O PRO A 24 8.944 8.982 -3.866 1.00 0.00 O ATOM 169 CB PRO A 24 8.137 7.575 -6.241 1.00 0.00 C ATOM 170 CG PRO A 24 7.287 8.074 -7.375 1.00 0.00 C ATOM 171 CD PRO A 24 6.400 9.141 -6.774 1.00 0.00 C ATOM 0 HA PRO A 24 6.834 6.731 -4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.043 8.171 -6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.451 6.544 -6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.902 8.481 -8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.694 7.267 -7.806 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.896 10.111 -6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.480 9.269 -7.344 1.00 0.00 H new ATOM 179 N GLY A 25 7.516 7.814 -2.548 1.00 0.00 N ATOM 180 CA GLY A 25 8.177 8.149 -1.286 1.00 0.00 C ATOM 181 C GLY A 25 7.221 8.723 -0.256 1.00 0.00 C ATOM 182 O GLY A 25 7.659 9.203 0.795 1.00 0.00 O ATOM 0 H GLY A 25 6.668 7.258 -2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.648 7.254 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.973 8.869 -1.478 1.00 0.00 H new ATOM 186 N MET A 26 5.908 8.692 -0.558 1.00 0.00 N ATOM 187 CA MET A 26 4.867 9.089 0.409 1.00 0.00 C ATOM 188 C MET A 26 4.495 7.865 1.251 1.00 0.00 C ATOM 189 O MET A 26 4.685 6.724 0.812 1.00 0.00 O ATOM 190 CB MET A 26 3.585 9.675 -0.260 1.00 0.00 C ATOM 191 CG MET A 26 2.739 8.673 -1.064 1.00 0.00 C ATOM 192 SD MET A 26 1.018 9.199 -1.269 1.00 0.00 S ATOM 193 CE MET A 26 1.186 10.786 -2.082 1.00 0.00 C ATOM 0 H MET A 26 5.544 8.396 -1.464 1.00 0.00 H new ATOM 0 HA MET A 26 5.281 9.887 1.025 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.958 10.111 0.518 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.882 10.487 -0.923 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.189 8.533 -2.047 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.760 7.705 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.198 11.217 -2.245 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.775 11.455 -1.455 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.687 10.652 -3.041 1.00 0.00 H new ATOM 203 N ARG A 27 3.943 8.104 2.442 1.00 0.00 N ATOM 204 CA ARG A 27 3.531 7.030 3.343 1.00 0.00 C ATOM 205 C ARG A 27 2.104 6.606 3.005 1.00 0.00 C ATOM 206 O ARG A 27 1.319 7.366 2.416 1.00 0.00 O ATOM 207 CB ARG A 27 3.627 7.424 4.845 1.00 0.00 C ATOM 208 CG ARG A 27 2.647 8.528 5.302 1.00 0.00 C ATOM 209 CD ARG A 27 2.385 8.505 6.817 1.00 0.00 C ATOM 210 NE ARG A 27 1.519 9.624 7.231 1.00 0.00 N ATOM 211 CZ ARG A 27 0.909 9.748 8.417 1.00 0.00 C ATOM 212 NH1 ARG A 27 1.016 8.818 9.356 1.00 0.00 N ATOM 213 NH2 ARG A 27 0.166 10.811 8.646 1.00 0.00 N ATOM 0 H ARG A 27 3.771 9.041 2.806 1.00 0.00 H new ATOM 0 HA ARG A 27 4.222 6.200 3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.453 6.534 5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.644 7.756 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.049 9.502 5.022 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.701 8.409 4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.917 7.560 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.333 8.559 7.352 1.00 0.00 H new ATOM 0 HE ARG A 27 1.371 10.371 6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.574 7.982 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.540 8.939 10.250 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.062 11.525 7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.305 10.920 9.544 1.00 0.00 H new ATOM 227 N VAL A 28 1.788 5.383 3.393 1.00 0.00 N ATOM 228 CA VAL A 28 0.486 4.761 3.185 1.00 0.00 C ATOM 229 C VAL A 28 0.069 4.098 4.512 1.00 0.00 C ATOM 230 O VAL A 28 0.852 4.076 5.470 1.00 0.00 O ATOM 231 CB VAL A 28 0.489 3.695 2.007 1.00 0.00 C ATOM 232 CG1 VAL A 28 1.090 4.259 0.694 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.190 2.377 2.426 1.00 0.00 C ATOM 0 H VAL A 28 2.448 4.774 3.877 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.226 5.530 2.886 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.556 3.465 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.067 3.489 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.505 5.118 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.121 4.567 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.171 1.674 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.224 2.586 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.669 1.943 3.279 1.00 0.00 H new ATOM 243 N ARG A 29 -1.156 3.587 4.561 1.00 0.00 N ATOM 244 CA ARG A 29 -1.703 2.901 5.738 1.00 0.00 C ATOM 245 C ARG A 29 -2.743 1.865 5.237 1.00 0.00 C ATOM 246 O ARG A 29 -3.401 2.085 4.227 1.00 0.00 O ATOM 247 CB ARG A 29 -2.278 3.989 6.709 1.00 0.00 C ATOM 248 CG ARG A 29 -2.793 3.520 8.097 1.00 0.00 C ATOM 249 CD ARG A 29 -4.190 2.898 8.038 1.00 0.00 C ATOM 250 NE ARG A 29 -4.743 2.560 9.360 1.00 0.00 N ATOM 251 CZ ARG A 29 -6.048 2.336 9.610 1.00 0.00 C ATOM 252 NH1 ARG A 29 -6.980 2.618 8.698 1.00 0.00 N ATOM 253 NH2 ARG A 29 -6.418 1.883 10.803 1.00 0.00 N ATOM 0 H ARG A 29 -1.809 3.635 3.779 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.956 2.346 6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.501 4.735 6.875 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.100 4.492 6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.095 2.792 8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.808 4.370 8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.866 3.591 7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.151 1.995 7.429 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.092 2.490 10.142 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.709 3.009 7.796 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.964 2.442 8.903 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.716 1.707 11.522 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.404 1.711 11.000 1.00 0.00 H new ATOM 267 N MET A 30 -2.848 0.722 5.922 1.00 0.00 N ATOM 268 CA MET A 30 -3.749 -0.384 5.548 1.00 0.00 C ATOM 269 C MET A 30 -5.042 -0.322 6.377 1.00 0.00 C ATOM 270 O MET A 30 -4.991 -0.268 7.605 1.00 0.00 O ATOM 271 CB MET A 30 -3.010 -1.733 5.736 1.00 0.00 C ATOM 272 CG MET A 30 -3.835 -2.971 5.380 1.00 0.00 C ATOM 273 SD MET A 30 -4.740 -2.818 3.816 1.00 0.00 S ATOM 274 CE MET A 30 -3.429 -2.579 2.616 1.00 0.00 C ATOM 0 H MET A 30 -2.304 0.532 6.764 1.00 0.00 H new ATOM 0 HA MET A 30 -4.032 -0.292 4.499 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.108 -1.726 5.123 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.689 -1.814 6.775 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.172 -3.835 5.323 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.545 -3.167 6.183 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.849 -2.597 1.610 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.947 -1.617 2.791 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.694 -3.377 2.717 1.00 0.00 H new ATOM 284 N LEU A 31 -6.201 -0.330 5.696 1.00 0.00 N ATOM 285 CA LEU A 31 -7.526 -0.189 6.346 1.00 0.00 C ATOM 286 C LEU A 31 -8.181 -1.566 6.626 1.00 0.00 C ATOM 287 O LEU A 31 -9.219 -1.633 7.296 1.00 0.00 O ATOM 288 CB LEU A 31 -8.448 0.747 5.480 1.00 0.00 C ATOM 289 CG LEU A 31 -8.628 0.388 3.955 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.609 -0.782 3.704 1.00 0.00 C ATOM 291 CD2 LEU A 31 -9.038 1.622 3.117 1.00 0.00 C ATOM 0 H LEU A 31 -6.251 -0.434 4.683 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.388 0.279 7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.436 0.764 5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.051 1.760 5.542 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.645 0.051 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.682 -0.972 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.244 -1.677 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.593 -0.522 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.151 1.331 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.984 2.016 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.268 2.389 3.198 1.00 0.00 H new ATOM 303 N ASP A 32 -7.562 -2.655 6.115 1.00 0.00 N ATOM 304 CA ASP A 32 -8.128 -4.031 6.188 1.00 0.00 C ATOM 305 C ASP A 32 -7.054 -5.030 6.668 1.00 0.00 C ATOM 306 O ASP A 32 -5.883 -4.679 6.762 1.00 0.00 O ATOM 307 CB ASP A 32 -8.674 -4.429 4.784 1.00 0.00 C ATOM 308 CG ASP A 32 -9.530 -5.710 4.788 1.00 0.00 C ATOM 309 OD1 ASP A 32 -10.682 -5.661 5.275 1.00 0.00 O ATOM 310 OD2 ASP A 32 -9.061 -6.762 4.311 1.00 0.00 O ATOM 0 H ASP A 32 -6.660 -2.610 5.641 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.946 -4.055 6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.271 -3.606 4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.834 -4.567 4.104 1.00 0.00 H new ATOM 315 N ASP A 33 -7.460 -6.262 7.013 1.00 0.00 N ATOM 316 CA ASP A 33 -6.512 -7.329 7.393 1.00 0.00 C ATOM 317 C ASP A 33 -5.895 -7.970 6.131 1.00 0.00 C ATOM 318 O ASP A 33 -6.613 -8.351 5.209 1.00 0.00 O ATOM 319 CB ASP A 33 -7.213 -8.407 8.263 1.00 0.00 C ATOM 320 CG ASP A 33 -6.275 -9.574 8.645 1.00 0.00 C ATOM 321 OD1 ASP A 33 -5.474 -9.419 9.593 1.00 0.00 O ATOM 322 OD2 ASP A 33 -6.320 -10.641 7.986 1.00 0.00 O ATOM 0 H ASP A 33 -8.439 -6.547 7.038 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.713 -6.883 7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.594 -7.942 9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.073 -8.801 7.721 1.00 0.00 H new ATOM 327 N TYR A 34 -4.561 -8.091 6.117 1.00 0.00 N ATOM 328 CA TYR A 34 -3.799 -8.745 5.028 1.00 0.00 C ATOM 329 C TYR A 34 -2.997 -9.942 5.576 1.00 0.00 C ATOM 330 O TYR A 34 -2.928 -10.153 6.795 1.00 0.00 O ATOM 331 CB TYR A 34 -2.867 -7.726 4.287 1.00 0.00 C ATOM 332 CG TYR A 34 -3.367 -7.316 2.899 1.00 0.00 C ATOM 333 CD1 TYR A 34 -4.278 -6.271 2.731 1.00 0.00 C ATOM 334 CD2 TYR A 34 -2.933 -7.994 1.756 1.00 0.00 C ATOM 335 CE1 TYR A 34 -4.734 -5.919 1.476 1.00 0.00 C ATOM 336 CE2 TYR A 34 -3.386 -7.644 0.501 1.00 0.00 C ATOM 337 CZ TYR A 34 -4.285 -6.610 0.366 1.00 0.00 C ATOM 338 OH TYR A 34 -4.737 -6.258 -0.888 1.00 0.00 O ATOM 0 H TYR A 34 -3.968 -7.736 6.867 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.512 -9.119 4.294 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.762 -6.832 4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.874 -8.164 4.189 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.631 -5.730 3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.230 -8.807 1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.438 -5.108 1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.037 -8.178 -0.371 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.325 -6.840 -1.560 1.00 0.00 H new ATOM 348 N GLU A 35 -2.409 -10.706 4.635 1.00 0.00 N ATOM 349 CA GLU A 35 -1.639 -11.946 4.891 1.00 0.00 C ATOM 350 C GLU A 35 -0.552 -11.770 5.983 1.00 0.00 C ATOM 351 O GLU A 35 -0.455 -12.578 6.911 1.00 0.00 O ATOM 352 CB GLU A 35 -0.968 -12.393 3.564 1.00 0.00 C ATOM 353 CG GLU A 35 -1.928 -12.620 2.376 1.00 0.00 C ATOM 354 CD GLU A 35 -2.921 -13.772 2.605 1.00 0.00 C ATOM 355 OE1 GLU A 35 -2.472 -14.919 2.812 1.00 0.00 O ATOM 356 OE2 GLU A 35 -4.148 -13.538 2.595 1.00 0.00 O ATOM 0 H GLU A 35 -2.456 -10.473 3.643 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.336 -12.699 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.234 -11.640 3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.421 -13.317 3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.485 -11.702 2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.343 -12.827 1.480 1.00 0.00 H new ATOM 363 N GLU A 36 0.261 -10.710 5.845 1.00 0.00 N ATOM 364 CA GLU A 36 1.386 -10.411 6.766 1.00 0.00 C ATOM 365 C GLU A 36 1.289 -8.980 7.321 1.00 0.00 C ATOM 366 O GLU A 36 2.143 -8.539 8.095 1.00 0.00 O ATOM 367 CB GLU A 36 2.721 -10.615 6.006 1.00 0.00 C ATOM 368 CG GLU A 36 2.872 -9.766 4.718 1.00 0.00 C ATOM 369 CD GLU A 36 4.190 -10.031 3.970 1.00 0.00 C ATOM 370 OE1 GLU A 36 4.473 -11.207 3.657 1.00 0.00 O ATOM 371 OE2 GLU A 36 4.929 -9.072 3.659 1.00 0.00 O ATOM 0 H GLU A 36 0.162 -10.030 5.091 1.00 0.00 H new ATOM 0 HA GLU A 36 1.340 -11.089 7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.546 -10.379 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.816 -11.669 5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.035 -9.976 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.815 -8.709 4.978 1.00 0.00 H new ATOM 378 N ILE A 37 0.241 -8.263 6.907 1.00 0.00 N ATOM 379 CA ILE A 37 0.009 -6.857 7.263 1.00 0.00 C ATOM 380 C ILE A 37 -1.279 -6.786 8.071 1.00 0.00 C ATOM 381 O ILE A 37 -2.304 -7.291 7.629 1.00 0.00 O ATOM 382 CB ILE A 37 -0.146 -6.000 5.959 1.00 0.00 C ATOM 383 CG1 ILE A 37 1.061 -6.229 4.980 1.00 0.00 C ATOM 384 CG2 ILE A 37 -0.347 -4.496 6.268 1.00 0.00 C ATOM 385 CD1 ILE A 37 0.661 -6.329 3.525 1.00 0.00 C ATOM 0 H ILE A 37 -0.485 -8.649 6.303 1.00 0.00 H new ATOM 0 HA ILE A 37 0.847 -6.469 7.842 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.051 -6.343 5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.770 -5.410 5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.580 -7.143 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.449 -3.943 5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.248 -4.365 6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.514 -4.120 6.820 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.549 -6.487 2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.024 -7.166 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.169 -5.406 3.219 1.00 0.00 H new ATOM 397 N SER A 38 -1.228 -6.188 9.251 1.00 0.00 N ATOM 398 CA SER A 38 -2.407 -6.041 10.110 1.00 0.00 C ATOM 399 C SER A 38 -3.140 -4.730 9.782 1.00 0.00 C ATOM 400 O SER A 38 -2.532 -3.789 9.242 1.00 0.00 O ATOM 401 CB SER A 38 -1.958 -6.099 11.575 1.00 0.00 C ATOM 402 OG SER A 38 -1.272 -7.315 11.855 1.00 0.00 O ATOM 0 H SER A 38 -0.375 -5.790 9.645 1.00 0.00 H new ATOM 0 HA SER A 38 -3.112 -6.853 9.933 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.307 -5.252 11.792 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.826 -6.009 12.228 1.00 0.00 H new ATOM 0 HG SER A 38 -0.995 -7.325 12.795 1.00 0.00 H new ATOM 408 N ALA A 39 -4.457 -4.686 10.079 1.00 0.00 N ATOM 409 CA ALA A 39 -5.271 -3.482 9.860 1.00 0.00 C ATOM 410 C ALA A 39 -4.763 -2.345 10.768 1.00 0.00 C ATOM 411 O ALA A 39 -4.874 -2.425 11.998 1.00 0.00 O ATOM 412 CB ALA A 39 -6.753 -3.786 10.143 1.00 0.00 C ATOM 0 H ALA A 39 -4.974 -5.473 10.471 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.181 -3.167 8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.347 -2.887 9.978 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.096 -4.576 9.475 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.867 -4.111 11.177 1.00 0.00 H new ATOM 418 N GLY A 40 -4.212 -1.299 10.142 1.00 0.00 N ATOM 419 CA GLY A 40 -3.630 -0.164 10.851 1.00 0.00 C ATOM 420 C GLY A 40 -2.190 0.106 10.466 1.00 0.00 C ATOM 421 O GLY A 40 -1.706 1.230 10.633 1.00 0.00 O ATOM 0 H GLY A 40 -4.159 -1.220 9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.226 0.726 10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.684 -0.348 11.924 1.00 0.00 H new ATOM 425 N ASP A 41 -1.514 -0.924 9.929 1.00 0.00 N ATOM 426 CA ASP A 41 -0.084 -0.856 9.571 1.00 0.00 C ATOM 427 C ASP A 41 0.190 0.197 8.491 1.00 0.00 C ATOM 428 O ASP A 41 -0.601 0.381 7.583 1.00 0.00 O ATOM 429 CB ASP A 41 0.418 -2.246 9.111 1.00 0.00 C ATOM 430 CG ASP A 41 1.927 -2.307 8.781 1.00 0.00 C ATOM 431 OD1 ASP A 41 2.727 -1.575 9.405 1.00 0.00 O ATOM 432 OD2 ASP A 41 2.327 -3.140 7.949 1.00 0.00 O ATOM 0 H ASP A 41 -1.942 -1.828 9.730 1.00 0.00 H new ATOM 0 HA ASP A 41 0.464 -0.554 10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.201 -2.974 9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.146 -2.548 8.229 1.00 0.00 H new ATOM 437 N GLU A 42 1.328 0.879 8.630 1.00 0.00 N ATOM 438 CA GLU A 42 1.786 1.916 7.703 1.00 0.00 C ATOM 439 C GLU A 42 2.911 1.385 6.806 1.00 0.00 C ATOM 440 O GLU A 42 3.707 0.532 7.209 1.00 0.00 O ATOM 441 CB GLU A 42 2.260 3.155 8.489 1.00 0.00 C ATOM 442 CG GLU A 42 1.148 3.850 9.290 1.00 0.00 C ATOM 443 CD GLU A 42 1.701 4.952 10.196 1.00 0.00 C ATOM 444 OE1 GLU A 42 2.174 4.631 11.304 1.00 0.00 O ATOM 445 OE2 GLU A 42 1.710 6.132 9.788 1.00 0.00 O ATOM 0 H GLU A 42 1.971 0.723 9.406 1.00 0.00 H new ATOM 0 HA GLU A 42 0.951 2.203 7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.054 2.857 9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.693 3.872 7.791 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.418 4.277 8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.621 3.112 9.896 1.00 0.00 H new ATOM 452 N GLY A 43 2.946 1.916 5.585 1.00 0.00 N ATOM 453 CA GLY A 43 3.930 1.549 4.579 1.00 0.00 C ATOM 454 C GLY A 43 4.465 2.764 3.862 1.00 0.00 C ATOM 455 O GLY A 43 4.134 3.890 4.230 1.00 0.00 O ATOM 0 H GLY A 43 2.282 2.622 5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.753 1.012 5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.478 0.869 3.857 1.00 0.00 H new ATOM 459 N GLU A 44 5.282 2.552 2.829 1.00 0.00 N ATOM 460 CA GLU A 44 5.734 3.636 1.947 1.00 0.00 C ATOM 461 C GLU A 44 5.616 3.168 0.503 1.00 0.00 C ATOM 462 O GLU A 44 5.907 2.007 0.199 1.00 0.00 O ATOM 463 CB GLU A 44 7.197 4.070 2.240 1.00 0.00 C ATOM 464 CG GLU A 44 7.661 5.286 1.400 1.00 0.00 C ATOM 465 CD GLU A 44 9.161 5.577 1.514 1.00 0.00 C ATOM 466 OE1 GLU A 44 9.948 4.917 0.802 1.00 0.00 O ATOM 467 OE2 GLU A 44 9.563 6.461 2.301 1.00 0.00 O ATOM 0 H GLU A 44 5.648 1.633 2.579 1.00 0.00 H new ATOM 0 HA GLU A 44 5.102 4.506 2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.290 4.313 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.863 3.229 2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.413 5.109 0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.104 6.168 1.715 1.00 0.00 H new ATOM 474 N PHE A 45 5.187 4.080 -0.371 1.00 0.00 N ATOM 475 CA PHE A 45 5.058 3.822 -1.799 1.00 0.00 C ATOM 476 C PHE A 45 6.448 3.725 -2.445 1.00 0.00 C ATOM 477 O PHE A 45 7.233 4.682 -2.398 1.00 0.00 O ATOM 478 CB PHE A 45 4.218 4.932 -2.447 1.00 0.00 C ATOM 479 CG PHE A 45 3.937 4.717 -3.932 1.00 0.00 C ATOM 480 CD1 PHE A 45 3.170 3.646 -4.370 1.00 0.00 C ATOM 481 CD2 PHE A 45 4.428 5.598 -4.881 1.00 0.00 C ATOM 482 CE1 PHE A 45 2.911 3.479 -5.709 1.00 0.00 C ATOM 483 CE2 PHE A 45 4.169 5.430 -6.217 1.00 0.00 C ATOM 484 CZ PHE A 45 3.411 4.375 -6.629 1.00 0.00 C ATOM 0 H PHE A 45 4.918 5.026 -0.101 1.00 0.00 H new ATOM 0 HA PHE A 45 4.550 2.870 -1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.269 5.011 -1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.734 5.884 -2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.775 2.940 -3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.029 6.437 -4.561 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.314 2.643 -6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.564 6.130 -6.939 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.201 4.241 -7.680 1.00 0.00 H new ATOM 494 N ARG A 46 6.732 2.555 -3.038 1.00 0.00 N ATOM 495 CA ARG A 46 8.053 2.236 -3.613 1.00 0.00 C ATOM 496 C ARG A 46 7.946 2.252 -5.142 1.00 0.00 C ATOM 497 O ARG A 46 8.768 2.861 -5.826 1.00 0.00 O ATOM 498 CB ARG A 46 8.521 0.835 -3.114 1.00 0.00 C ATOM 499 CG ARG A 46 8.248 0.560 -1.620 1.00 0.00 C ATOM 500 CD ARG A 46 9.014 1.500 -0.667 1.00 0.00 C ATOM 501 NE ARG A 46 10.440 1.145 -0.550 1.00 0.00 N ATOM 502 CZ ARG A 46 11.245 1.471 0.476 1.00 0.00 C ATOM 503 NH1 ARG A 46 10.828 2.268 1.456 1.00 0.00 N ATOM 504 NH2 ARG A 46 12.475 1.002 0.507 1.00 0.00 N ATOM 0 H ARG A 46 6.052 1.800 -3.134 1.00 0.00 H new ATOM 0 HA ARG A 46 8.786 2.977 -3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.024 0.068 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.591 0.737 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.179 0.658 -1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.519 -0.471 -1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.926 2.526 -1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.552 1.467 0.320 1.00 0.00 H new ATOM 0 HE ARG A 46 10.851 0.606 -1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.880 2.645 1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.456 2.502 2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.809 0.397 -0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.094 1.244 1.281 1.00 0.00 H new ATOM 518 N GLN A 47 6.898 1.570 -5.648 1.00 0.00 N ATOM 519 CA GLN A 47 6.565 1.500 -7.086 1.00 0.00 C ATOM 520 C GLN A 47 5.126 0.982 -7.253 1.00 0.00 C ATOM 521 O GLN A 47 4.597 0.300 -6.362 1.00 0.00 O ATOM 522 CB GLN A 47 7.559 0.583 -7.881 1.00 0.00 C ATOM 523 CG GLN A 47 7.487 -0.937 -7.562 1.00 0.00 C ATOM 524 CD GLN A 47 7.968 -1.305 -6.157 1.00 0.00 C ATOM 525 OE1 GLN A 47 9.141 -1.583 -5.943 1.00 0.00 O ATOM 526 NE2 GLN A 47 7.068 -1.276 -5.180 1.00 0.00 N ATOM 0 H GLN A 47 6.250 1.045 -5.061 1.00 0.00 H new ATOM 0 HA GLN A 47 6.653 2.505 -7.498 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.375 0.720 -8.947 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.575 0.927 -7.686 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.457 -1.274 -7.681 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.087 -1.479 -8.293 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.097 -1.041 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.348 -1.489 -4.222 1.00 0.00 H new ATOM 535 N SER A 48 4.517 1.298 -8.403 1.00 0.00 N ATOM 536 CA SER A 48 3.144 0.897 -8.741 1.00 0.00 C ATOM 537 C SER A 48 3.121 -0.007 -9.966 1.00 0.00 C ATOM 538 O SER A 48 4.161 -0.321 -10.558 1.00 0.00 O ATOM 539 CB SER A 48 2.291 2.157 -9.022 1.00 0.00 C ATOM 540 OG SER A 48 2.905 3.006 -9.976 1.00 0.00 O ATOM 0 H SER A 48 4.969 1.846 -9.135 1.00 0.00 H new ATOM 0 HA SER A 48 2.733 0.345 -7.896 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.307 1.857 -9.382 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.136 2.706 -8.093 1.00 0.00 H new ATOM 0 HG SER A 48 2.337 3.790 -10.129 1.00 0.00 H new ATOM 546 N ASN A 49 1.906 -0.441 -10.312 1.00 0.00 N ATOM 547 CA ASN A 49 1.605 -1.077 -11.596 1.00 0.00 C ATOM 548 C ASN A 49 0.346 -0.400 -12.153 1.00 0.00 C ATOM 549 O ASN A 49 -0.696 -0.404 -11.488 1.00 0.00 O ATOM 550 CB ASN A 49 1.383 -2.599 -11.438 1.00 0.00 C ATOM 551 CG ASN A 49 2.517 -3.319 -10.718 1.00 0.00 C ATOM 552 OD1 ASN A 49 3.511 -3.714 -11.324 1.00 0.00 O ATOM 553 ND2 ASN A 49 2.357 -3.517 -9.413 1.00 0.00 N ATOM 0 H ASN A 49 1.094 -0.359 -9.700 1.00 0.00 H new ATOM 0 HA ASN A 49 2.446 -0.957 -12.279 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.455 -2.766 -10.891 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.254 -3.042 -12.426 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.073 -4.011 -8.881 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.518 -3.174 -8.944 1.00 0.00 H new ATOM 560 N ASN A 50 0.457 0.197 -13.351 1.00 0.00 N ATOM 561 CA ASN A 50 -0.636 0.986 -13.970 1.00 0.00 C ATOM 562 C ASN A 50 -1.773 0.072 -14.463 1.00 0.00 C ATOM 563 O ASN A 50 -2.946 0.460 -14.434 1.00 0.00 O ATOM 564 CB ASN A 50 -0.100 1.841 -15.151 1.00 0.00 C ATOM 565 CG ASN A 50 1.023 2.795 -14.742 1.00 0.00 C ATOM 566 OD1 ASN A 50 0.773 3.905 -14.265 1.00 0.00 O ATOM 567 ND2 ASN A 50 2.267 2.378 -14.944 1.00 0.00 N ATOM 0 H ASN A 50 1.302 0.150 -13.921 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.033 1.651 -13.203 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.263 1.178 -15.936 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.921 2.418 -15.576 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.053 2.982 -14.703 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.437 1.454 -15.340 1.00 0.00 H new ATOM 574 N GLY A 51 -1.396 -1.138 -14.917 1.00 0.00 N ATOM 575 CA GLY A 51 -2.349 -2.113 -15.464 1.00 0.00 C ATOM 576 C GLY A 51 -2.638 -3.278 -14.521 1.00 0.00 C ATOM 577 O GLY A 51 -3.508 -4.104 -14.811 1.00 0.00 O ATOM 0 H GLY A 51 -0.429 -1.462 -14.914 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.284 -1.604 -15.697 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.957 -2.505 -16.403 1.00 0.00 H new ATOM 581 N ILE A 52 -1.886 -3.381 -13.404 1.00 0.00 N ATOM 582 CA ILE A 52 -2.048 -4.475 -12.411 1.00 0.00 C ATOM 583 C ILE A 52 -2.436 -3.841 -11.046 1.00 0.00 C ATOM 584 O ILE A 52 -1.612 -3.131 -10.457 1.00 0.00 O ATOM 585 CB ILE A 52 -0.717 -5.320 -12.248 1.00 0.00 C ATOM 586 CG1 ILE A 52 -0.044 -5.643 -13.625 1.00 0.00 C ATOM 587 CG2 ILE A 52 -0.956 -6.624 -11.461 1.00 0.00 C ATOM 588 CD1 ILE A 52 -0.850 -6.540 -14.552 1.00 0.00 C ATOM 0 H ILE A 52 -1.153 -2.714 -13.162 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.826 -5.155 -12.759 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.033 -4.692 -11.677 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.157 -4.704 -14.141 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.920 -6.116 -13.437 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.018 -7.173 -11.372 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.332 -6.385 -10.466 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.687 -7.238 -11.987 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.295 -6.701 -15.476 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.030 -7.499 -14.065 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.804 -6.064 -14.780 1.00 0.00 H new ATOM 600 N PRO A 53 -3.685 -4.063 -10.526 1.00 0.00 N ATOM 601 CA PRO A 53 -4.165 -3.402 -9.277 1.00 0.00 C ATOM 602 C PRO A 53 -3.371 -3.676 -7.938 1.00 0.00 C ATOM 603 O PRO A 53 -3.406 -2.798 -7.063 1.00 0.00 O ATOM 604 CB PRO A 53 -5.657 -3.828 -9.173 1.00 0.00 C ATOM 605 CG PRO A 53 -5.765 -5.065 -10.019 1.00 0.00 C ATOM 606 CD PRO A 53 -4.761 -4.895 -11.142 1.00 0.00 C ATOM 0 HA PRO A 53 -4.002 -2.328 -9.370 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.939 -4.030 -8.140 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.319 -3.042 -9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.547 -5.958 -9.433 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.775 -5.181 -10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.378 -5.856 -11.486 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.205 -4.401 -12.006 1.00 0.00 H new ATOM 614 N PRO A 54 -2.695 -4.856 -7.683 1.00 0.00 N ATOM 615 CA PRO A 54 -1.789 -4.978 -6.519 1.00 0.00 C ATOM 616 C PRO A 54 -0.516 -4.101 -6.683 1.00 0.00 C ATOM 617 O PRO A 54 0.317 -4.346 -7.559 1.00 0.00 O ATOM 618 CB PRO A 54 -1.475 -6.492 -6.444 1.00 0.00 C ATOM 619 CG PRO A 54 -1.694 -6.992 -7.834 1.00 0.00 C ATOM 620 CD PRO A 54 -2.817 -6.151 -8.395 1.00 0.00 C ATOM 0 HA PRO A 54 -2.238 -4.615 -5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.451 -6.669 -6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.129 -6.998 -5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.790 -6.890 -8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.959 -8.049 -7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.718 -6.023 -9.473 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.788 -6.613 -8.216 1.00 0.00 H new ATOM 628 N VAL A 55 -0.448 -3.024 -5.881 1.00 0.00 N ATOM 629 CA VAL A 55 0.738 -2.156 -5.741 1.00 0.00 C ATOM 630 C VAL A 55 1.650 -2.667 -4.606 1.00 0.00 C ATOM 631 O VAL A 55 1.171 -3.143 -3.571 1.00 0.00 O ATOM 632 CB VAL A 55 0.321 -0.659 -5.469 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.680 -0.539 -4.293 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.555 0.246 -5.235 1.00 0.00 C ATOM 0 H VAL A 55 -1.231 -2.725 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 55 1.289 -2.190 -6.681 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.185 -0.309 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.939 0.509 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.582 -1.106 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.224 -0.935 -3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.226 1.269 -5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.114 -0.116 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.195 0.224 -6.117 1.00 0.00 H new ATOM 644 N GLN A 56 2.973 -2.578 -4.830 1.00 0.00 N ATOM 645 CA GLN A 56 3.983 -3.008 -3.855 1.00 0.00 C ATOM 646 C GLN A 56 4.409 -1.802 -2.985 1.00 0.00 C ATOM 647 O GLN A 56 4.832 -0.758 -3.500 1.00 0.00 O ATOM 648 CB GLN A 56 5.211 -3.642 -4.561 1.00 0.00 C ATOM 649 CG GLN A 56 4.962 -4.949 -5.349 1.00 0.00 C ATOM 650 CD GLN A 56 4.132 -4.764 -6.622 1.00 0.00 C ATOM 651 OE1 GLN A 56 4.663 -4.462 -7.686 1.00 0.00 O ATOM 652 NE2 GLN A 56 2.825 -4.944 -6.522 1.00 0.00 N ATOM 0 H GLN A 56 3.369 -2.206 -5.693 1.00 0.00 H new ATOM 0 HA GLN A 56 3.546 -3.773 -3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.627 -2.905 -5.248 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.973 -3.840 -3.807 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.923 -5.388 -5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.455 -5.662 -4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.412 -5.195 -5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.230 -4.832 -7.343 1.00 0.00 H new ATOM 661 N VAL A 57 4.292 -1.977 -1.666 1.00 0.00 N ATOM 662 CA VAL A 57 4.568 -0.947 -0.643 1.00 0.00 C ATOM 663 C VAL A 57 5.307 -1.606 0.524 1.00 0.00 C ATOM 664 O VAL A 57 4.977 -2.728 0.901 1.00 0.00 O ATOM 665 CB VAL A 57 3.230 -0.255 -0.127 1.00 0.00 C ATOM 666 CG1 VAL A 57 2.930 1.056 -0.878 1.00 0.00 C ATOM 667 CG2 VAL A 57 2.030 -1.214 -0.246 1.00 0.00 C ATOM 0 H VAL A 57 3.994 -2.864 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 57 5.182 -0.164 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 57 3.388 -0.012 0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.009 1.493 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.753 1.756 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.816 0.848 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.129 -0.716 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.895 -1.500 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.216 -2.105 0.354 1.00 0.00 H new ATOM 677 N PHE A 58 6.327 -0.912 1.059 1.00 0.00 N ATOM 678 CA PHE A 58 7.170 -1.425 2.160 1.00 0.00 C ATOM 679 C PHE A 58 6.452 -1.191 3.498 1.00 0.00 C ATOM 680 O PHE A 58 6.399 -0.065 3.978 1.00 0.00 O ATOM 681 CB PHE A 58 8.553 -0.714 2.141 1.00 0.00 C ATOM 682 CG PHE A 58 9.532 -1.146 3.237 1.00 0.00 C ATOM 683 CD1 PHE A 58 10.353 -2.258 3.064 1.00 0.00 C ATOM 684 CD2 PHE A 58 9.631 -0.436 4.439 1.00 0.00 C ATOM 685 CE1 PHE A 58 11.235 -2.645 4.054 1.00 0.00 C ATOM 686 CE2 PHE A 58 10.512 -0.825 5.424 1.00 0.00 C ATOM 687 CZ PHE A 58 11.313 -1.929 5.233 1.00 0.00 C ATOM 0 H PHE A 58 6.592 0.021 0.742 1.00 0.00 H new ATOM 0 HA PHE A 58 7.336 -2.495 2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.019 -0.890 1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.391 0.360 2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.299 -2.824 2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.007 0.431 4.597 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.865 -3.509 3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.575 -0.265 6.345 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.003 -2.235 6.006 1.00 0.00 H new ATOM 697 N TRP A 59 5.938 -2.276 4.080 1.00 0.00 N ATOM 698 CA TRP A 59 5.155 -2.264 5.330 1.00 0.00 C ATOM 699 C TRP A 59 6.070 -2.468 6.543 1.00 0.00 C ATOM 700 O TRP A 59 6.891 -3.387 6.542 1.00 0.00 O ATOM 701 CB TRP A 59 4.100 -3.378 5.265 1.00 0.00 C ATOM 702 CG TRP A 59 3.096 -3.199 4.165 1.00 0.00 C ATOM 703 CD1 TRP A 59 3.065 -3.844 2.964 1.00 0.00 C ATOM 704 CD2 TRP A 59 1.990 -2.299 4.172 1.00 0.00 C ATOM 705 NE1 TRP A 59 1.986 -3.422 2.239 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.316 -2.460 2.959 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.502 -1.371 5.095 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.174 -1.731 2.645 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.379 -0.645 4.778 1.00 0.00 C ATOM 710 CH2 TRP A 59 -0.275 -0.827 3.561 1.00 0.00 C ATOM 0 H TRP A 59 6.054 -3.212 3.691 1.00 0.00 H new ATOM 0 HA TRP A 59 4.663 -1.297 5.440 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.604 -4.335 5.132 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.575 -3.424 6.219 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.785 -4.578 2.635 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.721 -3.764 1.315 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.999 -1.226 6.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.340 -1.876 1.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.003 0.078 5.483 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.154 -0.241 3.339 1.00 0.00 H new ATOM 721 N GLN A 60 5.930 -1.599 7.560 1.00 0.00 N ATOM 722 CA GLN A 60 6.808 -1.593 8.745 1.00 0.00 C ATOM 723 C GLN A 60 6.538 -2.757 9.731 1.00 0.00 C ATOM 724 O GLN A 60 7.454 -3.166 10.458 1.00 0.00 O ATOM 725 CB GLN A 60 6.782 -0.191 9.424 1.00 0.00 C ATOM 726 CG GLN A 60 5.432 0.308 10.014 1.00 0.00 C ATOM 727 CD GLN A 60 5.224 -0.035 11.495 1.00 0.00 C ATOM 728 OE1 GLN A 60 5.692 0.685 12.371 1.00 0.00 O ATOM 729 NE2 GLN A 60 4.498 -1.105 11.784 1.00 0.00 N ATOM 0 H GLN A 60 5.206 -0.881 7.584 1.00 0.00 H new ATOM 0 HA GLN A 60 7.824 -1.780 8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.517 -0.196 10.229 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.117 0.542 8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.373 1.390 9.892 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.615 -0.123 9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.122 -1.684 11.033 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.315 -1.349 12.757 1.00 0.00 H new ATOM 738 N SER A 61 5.292 -3.287 9.764 1.00 0.00 N ATOM 739 CA SER A 61 4.919 -4.383 10.699 1.00 0.00 C ATOM 740 C SER A 61 5.544 -5.719 10.273 1.00 0.00 C ATOM 741 O SER A 61 6.012 -6.486 11.122 1.00 0.00 O ATOM 742 CB SER A 61 3.391 -4.528 10.813 1.00 0.00 C ATOM 743 OG SER A 61 3.006 -5.477 11.793 1.00 0.00 O ATOM 0 H SER A 61 4.531 -2.978 9.160 1.00 0.00 H new ATOM 0 HA SER A 61 5.314 -4.114 11.679 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.955 -3.560 11.059 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.985 -4.824 9.846 1.00 0.00 H new ATOM 0 HG SER A 61 2.028 -5.532 11.829 1.00 0.00 H new ATOM 749 N THR A 62 5.533 -5.998 8.955 1.00 0.00 N ATOM 750 CA THR A 62 6.135 -7.217 8.394 1.00 0.00 C ATOM 751 C THR A 62 7.629 -6.971 8.088 1.00 0.00 C ATOM 752 O THR A 62 8.458 -7.886 8.200 1.00 0.00 O ATOM 753 CB THR A 62 5.352 -7.694 7.123 1.00 0.00 C ATOM 754 OG1 THR A 62 5.885 -8.934 6.643 1.00 0.00 O ATOM 755 CG2 THR A 62 5.369 -6.660 5.988 1.00 0.00 C ATOM 0 H THR A 62 5.109 -5.388 8.256 1.00 0.00 H new ATOM 0 HA THR A 62 6.067 -8.018 9.130 1.00 0.00 H new ATOM 0 HB THR A 62 4.315 -7.826 7.432 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.533 -9.672 7.183 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.811 -7.047 5.135 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.909 -5.734 6.333 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.399 -6.465 5.689 1.00 0.00 H new ATOM 763 N GLY A 63 7.961 -5.708 7.747 1.00 0.00 N ATOM 764 CA GLY A 63 9.344 -5.286 7.483 1.00 0.00 C ATOM 765 C GLY A 63 9.783 -5.461 6.030 1.00 0.00 C ATOM 766 O GLY A 63 10.990 -5.437 5.748 1.00 0.00 O ATOM 0 H GLY A 63 7.277 -4.958 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.452 -4.237 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.015 -5.856 8.125 1.00 0.00 H new ATOM 770 N ARG A 64 8.810 -5.633 5.104 1.00 0.00 N ATOM 771 CA ARG A 64 9.080 -5.861 3.659 1.00 0.00 C ATOM 772 C ARG A 64 7.935 -5.347 2.770 1.00 0.00 C ATOM 773 O ARG A 64 6.883 -4.922 3.258 1.00 0.00 O ATOM 774 CB ARG A 64 9.356 -7.369 3.363 1.00 0.00 C ATOM 775 CG ARG A 64 8.296 -8.369 3.917 1.00 0.00 C ATOM 776 CD ARG A 64 8.742 -9.029 5.234 1.00 0.00 C ATOM 777 NE ARG A 64 10.055 -9.691 5.110 1.00 0.00 N ATOM 778 CZ ARG A 64 10.852 -10.029 6.133 1.00 0.00 C ATOM 779 NH1 ARG A 64 10.482 -9.819 7.389 1.00 0.00 N ATOM 780 NH2 ARG A 64 12.030 -10.577 5.881 1.00 0.00 N ATOM 0 H ARG A 64 7.816 -5.618 5.334 1.00 0.00 H new ATOM 0 HA ARG A 64 9.975 -5.289 3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.425 -7.502 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.329 -7.631 3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.355 -7.844 4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.106 -9.142 3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.791 -8.274 6.018 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.996 -9.761 5.542 1.00 0.00 H new ATOM 0 HE ARG A 64 10.383 -9.909 4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.577 -9.393 7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.102 -10.083 8.154 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.322 -10.738 4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.646 -10.839 6.651 1.00 0.00 H new ATOM 794 N THR A 65 8.170 -5.439 1.448 1.00 0.00 N ATOM 795 CA THR A 65 7.256 -4.976 0.400 1.00 0.00 C ATOM 796 C THR A 65 6.241 -6.085 0.069 1.00 0.00 C ATOM 797 O THR A 65 6.639 -7.244 -0.114 1.00 0.00 O ATOM 798 CB THR A 65 8.084 -4.607 -0.896 1.00 0.00 C ATOM 799 OG1 THR A 65 9.444 -4.298 -0.538 1.00 0.00 O ATOM 800 CG2 THR A 65 7.504 -3.404 -1.633 1.00 0.00 C ATOM 0 H THR A 65 9.026 -5.849 1.074 1.00 0.00 H new ATOM 0 HA THR A 65 6.720 -4.094 0.751 1.00 0.00 H new ATOM 0 HB THR A 65 8.038 -5.474 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.952 -4.072 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.108 -3.192 -2.515 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.481 -3.623 -1.938 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.508 -2.537 -0.973 1.00 0.00 H new ATOM 808 N TYR A 66 4.941 -5.737 -0.010 1.00 0.00 N ATOM 809 CA TYR A 66 3.879 -6.717 -0.323 1.00 0.00 C ATOM 810 C TYR A 66 2.844 -6.119 -1.293 1.00 0.00 C ATOM 811 O TYR A 66 2.675 -4.894 -1.373 1.00 0.00 O ATOM 812 CB TYR A 66 3.192 -7.207 0.984 1.00 0.00 C ATOM 813 CG TYR A 66 2.474 -8.569 0.852 1.00 0.00 C ATOM 814 CD1 TYR A 66 3.218 -9.731 0.671 1.00 0.00 C ATOM 815 CD2 TYR A 66 1.076 -8.697 0.897 1.00 0.00 C ATOM 816 CE1 TYR A 66 2.616 -10.961 0.546 1.00 0.00 C ATOM 817 CE2 TYR A 66 0.470 -9.933 0.768 1.00 0.00 C ATOM 818 CZ TYR A 66 1.247 -11.059 0.593 1.00 0.00 C ATOM 819 OH TYR A 66 0.655 -12.296 0.464 1.00 0.00 O ATOM 0 H TYR A 66 4.601 -4.787 0.138 1.00 0.00 H new ATOM 0 HA TYR A 66 4.340 -7.574 -0.814 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.943 -7.280 1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.468 -6.457 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.295 -9.665 0.628 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.465 -7.817 1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.218 -11.847 0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.606 -10.016 0.804 1.00 0.00 H new ATOM 0 HH TYR A 66 1.256 -12.985 0.817 1.00 0.00 H new ATOM 829 N TRP A 67 2.150 -7.026 -1.998 1.00 0.00 N ATOM 830 CA TRP A 67 1.148 -6.712 -3.023 1.00 0.00 C ATOM 831 C TRP A 67 -0.212 -6.436 -2.354 1.00 0.00 C ATOM 832 O TRP A 67 -0.795 -7.341 -1.741 1.00 0.00 O ATOM 833 CB TRP A 67 1.027 -7.908 -4.013 1.00 0.00 C ATOM 834 CG TRP A 67 2.336 -8.349 -4.632 1.00 0.00 C ATOM 835 CD1 TRP A 67 2.860 -7.944 -5.819 1.00 0.00 C ATOM 836 CD2 TRP A 67 3.267 -9.305 -4.095 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.068 -8.548 -6.038 1.00 0.00 N ATOM 838 CE2 TRP A 67 4.338 -9.392 -4.996 1.00 0.00 C ATOM 839 CE3 TRP A 67 3.301 -10.079 -2.931 1.00 0.00 C ATOM 840 CZ2 TRP A 67 5.432 -10.229 -4.776 1.00 0.00 C ATOM 841 CZ3 TRP A 67 4.382 -10.911 -2.714 1.00 0.00 C ATOM 842 CH2 TRP A 67 5.438 -10.977 -3.629 1.00 0.00 C ATOM 0 H TRP A 67 2.276 -8.029 -1.865 1.00 0.00 H new ATOM 0 HA TRP A 67 1.455 -5.823 -3.573 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.586 -8.755 -3.487 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.337 -7.634 -4.811 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.389 -7.244 -6.494 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.670 -8.394 -6.847 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.495 -10.027 -2.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 6.245 -10.285 -5.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.412 -11.521 -1.823 1.00 0.00 H new ATOM 0 HH2 TRP A 67 6.274 -11.630 -3.427 1.00 0.00 H new ATOM 853 N VAL A 68 -0.695 -5.180 -2.445 1.00 0.00 N ATOM 854 CA VAL A 68 -1.982 -4.757 -1.844 1.00 0.00 C ATOM 855 C VAL A 68 -2.841 -4.011 -2.878 1.00 0.00 C ATOM 856 O VAL A 68 -2.314 -3.411 -3.811 1.00 0.00 O ATOM 857 CB VAL A 68 -1.785 -3.854 -0.563 1.00 0.00 C ATOM 858 CG1 VAL A 68 -0.890 -4.551 0.496 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.242 -2.456 -0.932 1.00 0.00 C ATOM 0 H VAL A 68 -0.207 -4.430 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.494 -5.666 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.768 -3.713 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.777 -3.900 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.354 -5.488 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.090 -4.756 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.119 -1.863 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.279 -2.560 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.945 -1.957 -1.600 1.00 0.00 H new ATOM 869 N HIS A 69 -4.165 -4.035 -2.681 1.00 0.00 N ATOM 870 CA HIS A 69 -5.128 -3.411 -3.611 1.00 0.00 C ATOM 871 C HIS A 69 -5.213 -1.893 -3.356 1.00 0.00 C ATOM 872 O HIS A 69 -5.138 -1.460 -2.206 1.00 0.00 O ATOM 873 CB HIS A 69 -6.516 -4.085 -3.429 1.00 0.00 C ATOM 874 CG HIS A 69 -7.539 -3.742 -4.483 1.00 0.00 C ATOM 875 ND1 HIS A 69 -7.374 -4.058 -5.815 1.00 0.00 N ATOM 876 CD2 HIS A 69 -8.745 -3.135 -4.395 1.00 0.00 C ATOM 877 CE1 HIS A 69 -8.429 -3.665 -6.497 1.00 0.00 C ATOM 878 NE2 HIS A 69 -9.280 -3.102 -5.657 1.00 0.00 N ATOM 0 H HIS A 69 -4.603 -4.485 -1.877 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.794 -3.556 -4.638 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.378 -5.166 -3.417 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.914 -3.804 -2.454 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.202 -2.748 -3.496 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.574 -3.782 -7.561 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -10.187 -2.707 -5.907 1.00 0.00 H new ATOM 887 N TRP A 70 -5.415 -1.108 -4.438 1.00 0.00 N ATOM 888 CA TRP A 70 -5.489 0.373 -4.374 1.00 0.00 C ATOM 889 C TRP A 70 -6.628 0.856 -3.455 1.00 0.00 C ATOM 890 O TRP A 70 -6.437 1.760 -2.645 1.00 0.00 O ATOM 891 CB TRP A 70 -5.714 0.973 -5.783 1.00 0.00 C ATOM 892 CG TRP A 70 -4.604 0.744 -6.769 1.00 0.00 C ATOM 893 CD1 TRP A 70 -4.606 -0.109 -7.835 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.337 1.408 -6.787 1.00 0.00 C ATOM 895 NE1 TRP A 70 -3.411 -0.035 -8.503 1.00 0.00 N ATOM 896 CE2 TRP A 70 -2.617 0.896 -7.880 1.00 0.00 C ATOM 897 CE3 TRP A 70 -2.744 2.387 -5.978 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.333 1.335 -8.188 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.472 2.818 -6.283 1.00 0.00 C ATOM 900 CH2 TRP A 70 -0.779 2.293 -7.375 1.00 0.00 C ATOM 0 H TRP A 70 -5.531 -1.481 -5.380 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.537 0.712 -3.966 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.633 0.555 -6.194 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.870 2.047 -5.681 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -5.430 -0.750 -8.112 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.155 -0.581 -9.326 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.275 2.796 -5.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.793 0.937 -9.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.004 3.573 -5.669 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.218 2.649 -7.586 1.00 0.00 H new ATOM 911 N HIS A 71 -7.814 0.244 -3.606 1.00 0.00 N ATOM 912 CA HIS A 71 -9.020 0.644 -2.852 1.00 0.00 C ATOM 913 C HIS A 71 -8.906 0.266 -1.358 1.00 0.00 C ATOM 914 O HIS A 71 -9.537 0.898 -0.506 1.00 0.00 O ATOM 915 CB HIS A 71 -10.283 0.018 -3.500 1.00 0.00 C ATOM 916 CG HIS A 71 -11.588 0.618 -3.051 1.00 0.00 C ATOM 917 ND1 HIS A 71 -12.796 -0.029 -3.173 1.00 0.00 N ATOM 918 CD2 HIS A 71 -11.869 1.831 -2.525 1.00 0.00 C ATOM 919 CE1 HIS A 71 -13.754 0.758 -2.735 1.00 0.00 C ATOM 920 NE2 HIS A 71 -13.216 1.889 -2.339 1.00 0.00 N ATOM 0 H HIS A 71 -7.967 -0.535 -4.247 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.110 1.729 -2.898 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.206 0.119 -4.583 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.296 -1.049 -3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -11.157 2.610 -2.295 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -14.806 0.515 -2.706 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -13.726 2.684 -1.954 1.00 0.00 H new ATOM 929 N MET A 72 -8.090 -0.762 -1.050 1.00 0.00 N ATOM 930 CA MET A 72 -7.800 -1.164 0.345 1.00 0.00 C ATOM 931 C MET A 72 -6.524 -0.477 0.867 1.00 0.00 C ATOM 932 O MET A 72 -6.118 -0.695 2.013 1.00 0.00 O ATOM 933 CB MET A 72 -7.705 -2.711 0.469 1.00 0.00 C ATOM 934 CG MET A 72 -9.028 -3.437 0.177 1.00 0.00 C ATOM 935 SD MET A 72 -9.031 -5.177 0.666 1.00 0.00 S ATOM 936 CE MET A 72 -7.853 -5.896 -0.469 1.00 0.00 C ATOM 0 H MET A 72 -7.617 -1.333 -1.751 1.00 0.00 H new ATOM 0 HA MET A 72 -8.629 -0.833 0.971 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.942 -3.075 -0.218 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.375 -2.966 1.476 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.836 -2.922 0.697 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.241 -3.369 -0.890 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.509 -6.853 -0.078 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.328 -6.050 -1.438 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.002 -5.224 -0.585 1.00 0.00 H new ATOM 946 N LEU A 73 -5.911 0.368 0.020 1.00 0.00 N ATOM 947 CA LEU A 73 -4.758 1.183 0.403 1.00 0.00 C ATOM 948 C LEU A 73 -5.258 2.588 0.781 1.00 0.00 C ATOM 949 O LEU A 73 -5.837 3.293 -0.050 1.00 0.00 O ATOM 950 CB LEU A 73 -3.735 1.254 -0.770 1.00 0.00 C ATOM 951 CG LEU A 73 -2.347 1.854 -0.408 1.00 0.00 C ATOM 952 CD1 LEU A 73 -1.645 0.981 0.649 1.00 0.00 C ATOM 953 CD2 LEU A 73 -1.468 2.051 -1.666 1.00 0.00 C ATOM 0 H LEU A 73 -6.205 0.501 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.250 0.736 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.586 0.248 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.170 1.848 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.504 2.843 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.675 1.414 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.258 0.936 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.505 -0.025 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.506 2.472 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.311 1.089 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.968 2.731 -2.356 1.00 0.00 H new ATOM 965 N GLU A 74 -5.018 2.978 2.037 1.00 0.00 N ATOM 966 CA GLU A 74 -5.428 4.279 2.586 1.00 0.00 C ATOM 967 C GLU A 74 -4.183 5.155 2.772 1.00 0.00 C ATOM 968 O GLU A 74 -3.372 4.904 3.658 1.00 0.00 O ATOM 969 CB GLU A 74 -6.157 4.074 3.941 1.00 0.00 C ATOM 970 CG GLU A 74 -6.614 5.373 4.623 1.00 0.00 C ATOM 971 CD GLU A 74 -7.341 5.110 5.955 1.00 0.00 C ATOM 972 OE1 GLU A 74 -6.664 4.979 6.999 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.587 5.006 5.961 1.00 0.00 O ATOM 0 H GLU A 74 -4.527 2.392 2.712 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.115 4.772 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.028 3.439 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.493 3.537 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.748 6.010 4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.277 5.919 3.952 1.00 0.00 H new ATOM 980 N ILE A 75 -4.031 6.179 1.934 1.00 0.00 N ATOM 981 CA ILE A 75 -2.818 7.017 1.934 1.00 0.00 C ATOM 982 C ILE A 75 -2.957 8.209 2.903 1.00 0.00 C ATOM 983 O ILE A 75 -3.820 9.075 2.746 1.00 0.00 O ATOM 984 CB ILE A 75 -2.458 7.486 0.479 1.00 0.00 C ATOM 985 CG1 ILE A 75 -3.661 8.217 -0.204 1.00 0.00 C ATOM 986 CG2 ILE A 75 -1.993 6.275 -0.360 1.00 0.00 C ATOM 987 CD1 ILE A 75 -3.407 8.655 -1.637 1.00 0.00 C ATOM 0 H ILE A 75 -4.729 6.454 1.243 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.990 6.408 2.295 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.642 8.206 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.527 7.555 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.920 9.094 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.744 6.605 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.113 5.828 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.793 5.536 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.295 9.152 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.564 9.345 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.180 7.782 -2.249 1.00 0.00 H new ATOM 999 N LEU A 76 -2.105 8.204 3.943 1.00 0.00 N ATOM 1000 CA LEU A 76 -1.972 9.314 4.918 1.00 0.00 C ATOM 1001 C LEU A 76 -0.756 10.204 4.555 1.00 0.00 C ATOM 1002 O LEU A 76 -0.424 11.138 5.294 1.00 0.00 O ATOM 1003 CB LEU A 76 -1.841 8.752 6.373 1.00 0.00 C ATOM 1004 CG LEU A 76 -3.166 8.366 7.116 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -3.979 7.292 6.368 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -2.874 7.929 8.573 1.00 0.00 C ATOM 0 H LEU A 76 -1.479 7.422 4.137 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.871 9.929 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.204 7.868 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.320 9.496 6.976 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.785 9.263 7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.885 7.065 6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.248 7.663 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.379 6.387 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.809 7.666 9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.210 7.064 8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.397 8.749 9.110 1.00 0.00 H new ATOM 1018 N GLY A 77 -0.091 9.878 3.422 1.00 0.00 N ATOM 1019 CA GLY A 77 1.009 10.682 2.873 1.00 0.00 C ATOM 1020 C GLY A 77 0.575 12.100 2.494 1.00 0.00 C ATOM 1021 O GLY A 77 1.112 13.072 3.036 1.00 0.00 O ATOM 0 H GLY A 77 -0.307 9.049 2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.814 10.737 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.413 10.183 1.992 1.00 0.00 H new TER 1025 GLY A 77