USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=18 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= 0.284 USER MOD Set 1.2: A 72 MET CE :methyl 175:sc= -0.224 (180deg=-0.0433) USER MOD Set 2.1: A 23 GLN : amide:sc= 0 K(o=-0.93,f=-2.7) USER MOD Set 2.2: A 26 MET CE :methyl 146:sc= -0.926 (180deg=-1.67) USER MOD Set 3.1: A 19 GLN :FLIP amide:sc= -1.39 X(o=-2.6,f=-2.3) USER MOD Set 3.2: A 20 GLN :FLIP amide:sc= -0.312 X(o=-2.7,f=-2.3) USER MOD Set 3.3: A 50 ASN : amide:sc= -0.551 K(o=-2.3,f=-3.6) USER MOD Single : A 14 TYR OH : rot 130:sc= -0.0564 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -19:sc= 0.637 USER MOD Single : A 30 MET CE :methyl -151:sc= -0.943 (180deg=-2.57!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -2.96 F(o=-6.2!,f=-3) USER MOD Single : A 48 SER OG : rot 167:sc= -0.156 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.804 X(o=-0.8,f=-0.5) USER MOD Single : A 60 GLN : amide:sc= 0.702 K(o=0.7,f=-3.6!) USER MOD Single : A 61 SER OG : rot -85:sc= 0.277 USER MOD Single : A 62 THR OG1 : rot -158:sc= 0.37 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc= -1.05 USER MOD Single : A 69 HIS :FLIP no HD1:sc= 0.0914 F(o=-2.6!,f=0.091) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.23 F(o=-1.1,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.416 4.092 -5.513 1.00 0.00 N ATOM 2 CA TYR A 14 -11.465 4.661 -4.530 1.00 0.00 C ATOM 3 C TYR A 14 -10.031 4.212 -4.860 1.00 0.00 C ATOM 4 O TYR A 14 -9.069 4.966 -4.663 1.00 0.00 O ATOM 5 CB TYR A 14 -11.842 4.239 -3.079 1.00 0.00 C ATOM 6 CG TYR A 14 -10.857 4.728 -1.998 1.00 0.00 C ATOM 7 CD1 TYR A 14 -10.812 6.076 -1.626 1.00 0.00 C ATOM 8 CD2 TYR A 14 -9.963 3.849 -1.365 1.00 0.00 C ATOM 9 CE1 TYR A 14 -9.923 6.526 -0.669 1.00 0.00 C ATOM 10 CE2 TYR A 14 -9.077 4.297 -0.407 1.00 0.00 C ATOM 11 CZ TYR A 14 -9.056 5.634 -0.064 1.00 0.00 C ATOM 12 OH TYR A 14 -8.167 6.083 0.890 1.00 0.00 O ATOM 0 HA TYR A 14 -11.520 5.748 -4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.836 4.623 -2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.902 3.152 -3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.485 6.778 -2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.969 2.803 -1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.905 7.570 -0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.402 3.604 0.073 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.227 5.515 1.686 1.00 0.00 H new ATOM 22 N GLY A 15 -9.920 2.981 -5.387 1.00 0.00 N ATOM 23 CA GLY A 15 -8.641 2.418 -5.775 1.00 0.00 C ATOM 24 C GLY A 15 -8.033 3.143 -6.964 1.00 0.00 C ATOM 25 O GLY A 15 -6.833 3.444 -6.985 1.00 0.00 O ATOM 0 H GLY A 15 -10.714 2.362 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.953 2.467 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.769 1.364 -6.021 1.00 0.00 H new ATOM 29 N GLU A 16 -8.889 3.435 -7.943 1.00 0.00 N ATOM 30 CA GLU A 16 -8.522 4.171 -9.149 1.00 0.00 C ATOM 31 C GLU A 16 -8.251 5.650 -8.851 1.00 0.00 C ATOM 32 O GLU A 16 -7.572 6.320 -9.634 1.00 0.00 O ATOM 33 CB GLU A 16 -9.562 3.948 -10.280 1.00 0.00 C ATOM 34 CG GLU A 16 -9.411 2.576 -11.007 1.00 0.00 C ATOM 35 CD GLU A 16 -10.090 1.364 -10.320 1.00 0.00 C ATOM 36 OE1 GLU A 16 -9.926 1.160 -9.102 1.00 0.00 O ATOM 37 OE2 GLU A 16 -10.789 0.598 -11.010 1.00 0.00 O ATOM 0 H GLU A 16 -9.871 3.162 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.579 3.769 -9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.565 4.018 -9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.467 4.750 -11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.819 2.674 -12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.348 2.359 -11.114 1.00 0.00 H new ATOM 44 N TYR A 17 -8.805 6.166 -7.737 1.00 0.00 N ATOM 45 CA TYR A 17 -8.458 7.503 -7.235 1.00 0.00 C ATOM 46 C TYR A 17 -7.023 7.517 -6.656 1.00 0.00 C ATOM 47 O TYR A 17 -6.210 8.373 -7.043 1.00 0.00 O ATOM 48 CB TYR A 17 -9.485 7.978 -6.154 1.00 0.00 C ATOM 49 CG TYR A 17 -8.957 9.112 -5.238 1.00 0.00 C ATOM 50 CD1 TYR A 17 -8.663 10.384 -5.747 1.00 0.00 C ATOM 51 CD2 TYR A 17 -8.711 8.887 -3.877 1.00 0.00 C ATOM 52 CE1 TYR A 17 -8.146 11.379 -4.937 1.00 0.00 C ATOM 53 CE2 TYR A 17 -8.200 9.881 -3.066 1.00 0.00 C ATOM 54 CZ TYR A 17 -7.919 11.125 -3.598 1.00 0.00 C ATOM 55 OH TYR A 17 -7.394 12.118 -2.791 1.00 0.00 O ATOM 0 H TYR A 17 -9.495 5.674 -7.169 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.499 8.196 -8.075 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.391 8.321 -6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.766 7.126 -5.535 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.843 10.591 -6.791 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.925 7.917 -3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.921 12.351 -5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -8.020 9.687 -2.019 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.296 11.779 -1.877 1.00 0.00 H new ATOM 65 N VAL A 18 -6.712 6.558 -5.751 1.00 0.00 N ATOM 66 CA VAL A 18 -5.460 6.602 -4.965 1.00 0.00 C ATOM 67 C VAL A 18 -4.218 6.417 -5.854 1.00 0.00 C ATOM 68 O VAL A 18 -3.247 7.164 -5.707 1.00 0.00 O ATOM 69 CB VAL A 18 -5.438 5.595 -3.744 1.00 0.00 C ATOM 70 CG1 VAL A 18 -6.507 5.973 -2.690 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.601 4.134 -4.188 1.00 0.00 C ATOM 0 H VAL A 18 -7.306 5.753 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.428 7.603 -4.535 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.454 5.681 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.469 5.264 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.310 6.978 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.496 5.944 -3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.579 3.483 -3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.553 4.015 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.787 3.865 -4.861 1.00 0.00 H new ATOM 81 N GLN A 19 -4.285 5.486 -6.824 1.00 0.00 N ATOM 82 CA GLN A 19 -3.159 5.184 -7.745 1.00 0.00 C ATOM 83 C GLN A 19 -2.659 6.430 -8.502 1.00 0.00 C ATOM 84 O GLN A 19 -1.476 6.524 -8.836 1.00 0.00 O ATOM 85 CB GLN A 19 -3.545 4.059 -8.744 1.00 0.00 C ATOM 86 CG GLN A 19 -4.856 4.278 -9.490 1.00 0.00 C ATOM 87 CD GLN A 19 -5.205 3.149 -10.454 1.00 0.00 C ATOM 88 OE1 GLN A 19 -4.813 3.292 -11.707 1.00 0.00 O flip ATOM 89 NE2 GLN A 19 -5.833 2.163 -10.076 1.00 0.00 N flip ATOM 0 H GLN A 19 -5.116 4.920 -6.996 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.334 4.836 -7.123 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.743 3.952 -9.474 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.608 3.117 -8.199 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.663 4.388 -8.765 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.796 5.214 -10.046 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.120 2.085 -9.100 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.067 1.423 -10.738 1.00 0.00 H new ATOM 98 N GLN A 20 -3.574 7.377 -8.755 1.00 0.00 N ATOM 99 CA GLN A 20 -3.256 8.621 -9.482 1.00 0.00 C ATOM 100 C GLN A 20 -2.542 9.635 -8.561 1.00 0.00 C ATOM 101 O GLN A 20 -1.649 10.360 -9.004 1.00 0.00 O ATOM 102 CB GLN A 20 -4.547 9.252 -10.071 1.00 0.00 C ATOM 103 CG GLN A 20 -5.457 8.272 -10.840 1.00 0.00 C ATOM 104 CD GLN A 20 -4.771 7.482 -11.960 1.00 0.00 C ATOM 105 OE1 GLN A 20 -5.231 6.259 -12.189 1.00 0.00 O flip ATOM 106 NE2 GLN A 20 -3.833 7.953 -12.602 1.00 0.00 N flip ATOM 0 H GLN A 20 -4.549 7.306 -8.465 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.582 8.368 -10.300 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.121 9.695 -9.257 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.264 10.064 -10.741 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.885 7.565 -10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.287 8.833 -11.270 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.502 8.897 -12.403 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.387 7.400 -13.334 1.00 0.00 H new ATOM 115 N THR A 21 -2.954 9.682 -7.278 1.00 0.00 N ATOM 116 CA THR A 21 -2.398 10.639 -6.282 1.00 0.00 C ATOM 117 C THR A 21 -1.233 10.028 -5.444 1.00 0.00 C ATOM 118 O THR A 21 -0.660 10.715 -4.589 1.00 0.00 O ATOM 119 CB THR A 21 -3.541 11.199 -5.352 1.00 0.00 C ATOM 120 OG1 THR A 21 -3.015 12.129 -4.388 1.00 0.00 O ATOM 121 CG2 THR A 21 -4.310 10.089 -4.622 1.00 0.00 C ATOM 0 H THR A 21 -3.674 9.067 -6.899 1.00 0.00 H new ATOM 0 HA THR A 21 -1.968 11.469 -6.842 1.00 0.00 H new ATOM 0 HB THR A 21 -4.241 11.712 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.048 11.997 -4.300 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.084 10.533 -3.997 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.771 9.425 -5.353 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.622 9.520 -3.997 1.00 0.00 H new ATOM 129 N LEU A 22 -0.874 8.750 -5.695 1.00 0.00 N ATOM 130 CA LEU A 22 0.264 8.083 -5.003 1.00 0.00 C ATOM 131 C LEU A 22 1.625 8.648 -5.509 1.00 0.00 C ATOM 132 O LEU A 22 1.954 8.526 -6.695 1.00 0.00 O ATOM 133 CB LEU A 22 0.199 6.514 -5.172 1.00 0.00 C ATOM 134 CG LEU A 22 -0.171 5.675 -3.895 1.00 0.00 C ATOM 135 CD1 LEU A 22 0.720 6.037 -2.704 1.00 0.00 C ATOM 136 CD2 LEU A 22 -1.653 5.797 -3.521 1.00 0.00 C ATOM 0 H LEU A 22 -1.353 8.155 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 22 0.183 8.300 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.530 6.287 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.169 6.171 -5.534 1.00 0.00 H new ATOM 0 HG LEU A 22 0.012 4.632 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.434 5.437 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.762 5.838 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.599 7.094 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.855 5.198 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.892 6.841 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.267 5.439 -4.347 1.00 0.00 H new ATOM 148 N GLN A 23 2.395 9.270 -4.589 1.00 0.00 N ATOM 149 CA GLN A 23 3.731 9.852 -4.877 1.00 0.00 C ATOM 150 C GLN A 23 4.845 8.855 -4.484 1.00 0.00 C ATOM 151 O GLN A 23 4.755 8.253 -3.406 1.00 0.00 O ATOM 152 CB GLN A 23 3.916 11.180 -4.089 1.00 0.00 C ATOM 153 CG GLN A 23 2.894 12.274 -4.444 1.00 0.00 C ATOM 154 CD GLN A 23 3.031 13.531 -3.581 1.00 0.00 C ATOM 155 OE1 GLN A 23 2.405 13.648 -2.527 1.00 0.00 O ATOM 156 NE2 GLN A 23 3.846 14.477 -4.023 1.00 0.00 N ATOM 0 H GLN A 23 2.107 9.385 -3.617 1.00 0.00 H new ATOM 0 HA GLN A 23 3.798 10.057 -5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.848 10.968 -3.022 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.920 11.562 -4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.013 12.547 -5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.887 11.872 -4.331 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.349 14.347 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.970 15.335 -3.486 1.00 0.00 H new ATOM 165 N PRO A 24 5.905 8.656 -5.348 1.00 0.00 N ATOM 166 CA PRO A 24 7.030 7.714 -5.074 1.00 0.00 C ATOM 167 C PRO A 24 7.856 8.100 -3.830 1.00 0.00 C ATOM 168 O PRO A 24 8.898 8.756 -3.944 1.00 0.00 O ATOM 169 CB PRO A 24 7.878 7.757 -6.386 1.00 0.00 C ATOM 170 CG PRO A 24 6.953 8.324 -7.419 1.00 0.00 C ATOM 171 CD PRO A 24 6.082 9.308 -6.672 1.00 0.00 C ATOM 0 HA PRO A 24 6.672 6.712 -4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.765 8.379 -6.264 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.223 6.762 -6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.508 8.816 -8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.354 7.541 -7.884 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.560 10.283 -6.581 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.128 9.466 -7.175 1.00 0.00 H new ATOM 179 N GLY A 25 7.359 7.718 -2.640 1.00 0.00 N ATOM 180 CA GLY A 25 8.053 7.963 -1.376 1.00 0.00 C ATOM 181 C GLY A 25 7.145 8.581 -0.325 1.00 0.00 C ATOM 182 O GLY A 25 7.634 9.113 0.682 1.00 0.00 O ATOM 0 H GLY A 25 6.468 7.233 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.455 7.023 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.901 8.624 -1.553 1.00 0.00 H new ATOM 186 N MET A 26 5.815 8.515 -0.545 1.00 0.00 N ATOM 187 CA MET A 26 4.832 9.009 0.437 1.00 0.00 C ATOM 188 C MET A 26 4.427 7.884 1.396 1.00 0.00 C ATOM 189 O MET A 26 4.603 6.696 1.109 1.00 0.00 O ATOM 190 CB MET A 26 3.555 9.610 -0.227 1.00 0.00 C ATOM 191 CG MET A 26 2.652 8.604 -0.964 1.00 0.00 C ATOM 192 SD MET A 26 0.906 9.086 -0.960 1.00 0.00 S ATOM 193 CE MET A 26 0.938 10.725 -1.678 1.00 0.00 C ATOM 0 H MET A 26 5.400 8.126 -1.392 1.00 0.00 H new ATOM 0 HA MET A 26 5.322 9.814 0.985 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.964 10.104 0.545 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.863 10.380 -0.934 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.993 8.505 -1.994 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.754 7.624 -0.498 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.034 10.882 -2.266 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.988 11.469 -0.883 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.812 10.823 -2.322 1.00 0.00 H new ATOM 203 N ARG A 27 3.823 8.297 2.502 1.00 0.00 N ATOM 204 CA ARG A 27 3.386 7.425 3.589 1.00 0.00 C ATOM 205 C ARG A 27 2.011 6.855 3.222 1.00 0.00 C ATOM 206 O ARG A 27 1.103 7.608 2.848 1.00 0.00 O ATOM 207 CB ARG A 27 3.312 8.245 4.913 1.00 0.00 C ATOM 208 CG ARG A 27 2.976 7.441 6.187 1.00 0.00 C ATOM 209 CD ARG A 27 4.038 6.378 6.483 1.00 0.00 C ATOM 210 NE ARG A 27 3.922 5.809 7.834 1.00 0.00 N ATOM 211 CZ ARG A 27 4.769 4.916 8.372 1.00 0.00 C ATOM 212 NH1 ARG A 27 5.775 4.411 7.667 1.00 0.00 N ATOM 213 NH2 ARG A 27 4.580 4.519 9.618 1.00 0.00 N ATOM 0 H ARG A 27 3.616 9.281 2.675 1.00 0.00 H new ATOM 0 HA ARG A 27 4.090 6.606 3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.270 8.743 5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.562 9.027 4.792 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.895 8.121 7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.004 6.962 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.956 5.576 5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.028 6.819 6.364 1.00 0.00 H new ATOM 0 HE ARG A 27 3.137 6.117 8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.915 4.700 6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.407 3.734 8.094 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.799 4.890 10.159 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.215 3.841 10.039 1.00 0.00 H new ATOM 227 N VAL A 28 1.864 5.530 3.311 1.00 0.00 N ATOM 228 CA VAL A 28 0.599 4.851 3.003 1.00 0.00 C ATOM 229 C VAL A 28 0.060 4.190 4.284 1.00 0.00 C ATOM 230 O VAL A 28 0.740 4.158 5.310 1.00 0.00 O ATOM 231 CB VAL A 28 0.730 3.795 1.828 1.00 0.00 C ATOM 232 CG1 VAL A 28 1.464 4.401 0.603 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.394 2.473 2.285 1.00 0.00 C ATOM 0 H VAL A 28 2.613 4.899 3.597 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.106 5.602 2.646 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.286 3.543 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.537 3.651 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.906 5.262 0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.465 4.716 0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.458 1.787 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.396 2.680 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.796 2.020 3.076 1.00 0.00 H new ATOM 243 N ARG A 29 -1.158 3.680 4.194 1.00 0.00 N ATOM 244 CA ARG A 29 -1.937 3.154 5.314 1.00 0.00 C ATOM 245 C ARG A 29 -2.697 1.911 4.830 1.00 0.00 C ATOM 246 O ARG A 29 -3.170 1.873 3.685 1.00 0.00 O ATOM 247 CB ARG A 29 -2.931 4.251 5.789 1.00 0.00 C ATOM 248 CG ARG A 29 -3.812 3.888 7.004 1.00 0.00 C ATOM 249 CD ARG A 29 -3.005 3.731 8.300 1.00 0.00 C ATOM 250 NE ARG A 29 -3.875 3.696 9.497 1.00 0.00 N ATOM 251 CZ ARG A 29 -3.572 4.243 10.690 1.00 0.00 C ATOM 252 NH1 ARG A 29 -2.439 4.924 10.858 1.00 0.00 N ATOM 253 NH2 ARG A 29 -4.414 4.115 11.707 1.00 0.00 N ATOM 0 H ARG A 29 -1.655 3.617 3.305 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.291 2.879 6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.361 5.148 6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.585 4.506 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.567 4.662 7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.343 2.959 6.797 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.418 2.814 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.299 4.557 8.389 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.774 3.221 9.412 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.791 5.035 10.079 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.220 5.334 11.766 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.288 3.604 11.584 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.187 4.528 12.612 1.00 0.00 H new ATOM 267 N MET A 30 -2.799 0.898 5.692 1.00 0.00 N ATOM 268 CA MET A 30 -3.539 -0.331 5.402 1.00 0.00 C ATOM 269 C MET A 30 -4.999 -0.088 5.786 1.00 0.00 C ATOM 270 O MET A 30 -5.318 0.068 6.969 1.00 0.00 O ATOM 271 CB MET A 30 -2.932 -1.538 6.185 1.00 0.00 C ATOM 272 CG MET A 30 -3.434 -2.938 5.763 1.00 0.00 C ATOM 273 SD MET A 30 -2.591 -3.632 4.305 1.00 0.00 S ATOM 274 CE MET A 30 -3.334 -2.773 2.915 1.00 0.00 C ATOM 0 H MET A 30 -2.368 0.907 6.616 1.00 0.00 H new ATOM 0 HA MET A 30 -3.472 -0.582 4.343 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.848 -1.512 6.071 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.144 -1.402 7.245 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.308 -3.624 6.601 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.503 -2.880 5.556 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.310 -3.416 2.035 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.368 -2.522 3.153 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.776 -1.859 2.712 1.00 0.00 H new ATOM 284 N LEU A 31 -5.871 -0.013 4.776 1.00 0.00 N ATOM 285 CA LEU A 31 -7.289 0.317 4.965 1.00 0.00 C ATOM 286 C LEU A 31 -8.082 -0.930 5.412 1.00 0.00 C ATOM 287 O LEU A 31 -9.063 -0.816 6.156 1.00 0.00 O ATOM 288 CB LEU A 31 -7.873 0.926 3.660 1.00 0.00 C ATOM 289 CG LEU A 31 -9.309 1.527 3.753 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.382 2.649 4.813 1.00 0.00 C ATOM 291 CD2 LEU A 31 -9.785 2.030 2.375 1.00 0.00 C ATOM 0 H LEU A 31 -5.614 -0.179 3.803 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.378 1.063 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.197 1.709 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.877 0.151 2.894 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.983 0.732 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.396 3.047 4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.112 2.246 5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.690 3.447 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.789 2.445 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.105 2.802 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.798 1.200 1.669 1.00 0.00 H new ATOM 303 N ASP A 32 -7.617 -2.119 4.989 1.00 0.00 N ATOM 304 CA ASP A 32 -8.264 -3.406 5.314 1.00 0.00 C ATOM 305 C ASP A 32 -7.175 -4.464 5.536 1.00 0.00 C ATOM 306 O ASP A 32 -6.106 -4.371 4.929 1.00 0.00 O ATOM 307 CB ASP A 32 -9.227 -3.827 4.173 1.00 0.00 C ATOM 308 CG ASP A 32 -10.258 -4.881 4.603 1.00 0.00 C ATOM 309 OD1 ASP A 32 -11.353 -4.491 5.073 1.00 0.00 O ATOM 310 OD2 ASP A 32 -9.991 -6.095 4.479 1.00 0.00 O ATOM 0 H ASP A 32 -6.782 -2.216 4.412 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.855 -3.306 6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.752 -2.945 3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.643 -4.219 3.341 1.00 0.00 H new ATOM 315 N ASP A 33 -7.469 -5.482 6.372 1.00 0.00 N ATOM 316 CA ASP A 33 -6.449 -6.435 6.878 1.00 0.00 C ATOM 317 C ASP A 33 -5.876 -7.300 5.746 1.00 0.00 C ATOM 318 O ASP A 33 -6.557 -7.578 4.755 1.00 0.00 O ATOM 319 CB ASP A 33 -7.025 -7.333 8.011 1.00 0.00 C ATOM 320 CG ASP A 33 -8.039 -8.392 7.522 1.00 0.00 C ATOM 321 OD1 ASP A 33 -9.185 -8.023 7.198 1.00 0.00 O ATOM 322 OD2 ASP A 33 -7.691 -9.595 7.457 1.00 0.00 O ATOM 0 H ASP A 33 -8.411 -5.669 6.715 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.635 -5.842 7.294 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.201 -7.839 8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.509 -6.698 8.753 1.00 0.00 H new ATOM 327 N TYR A 34 -4.621 -7.721 5.918 1.00 0.00 N ATOM 328 CA TYR A 34 -3.865 -8.468 4.900 1.00 0.00 C ATOM 329 C TYR A 34 -3.163 -9.689 5.507 1.00 0.00 C ATOM 330 O TYR A 34 -3.164 -9.883 6.731 1.00 0.00 O ATOM 331 CB TYR A 34 -2.865 -7.533 4.137 1.00 0.00 C ATOM 332 CG TYR A 34 -3.302 -7.247 2.702 1.00 0.00 C ATOM 333 CD1 TYR A 34 -4.193 -6.215 2.414 1.00 0.00 C ATOM 334 CD2 TYR A 34 -2.847 -8.033 1.639 1.00 0.00 C ATOM 335 CE1 TYR A 34 -4.607 -5.970 1.125 1.00 0.00 C ATOM 336 CE2 TYR A 34 -3.262 -7.793 0.347 1.00 0.00 C ATOM 337 CZ TYR A 34 -4.141 -6.761 0.096 1.00 0.00 C ATOM 338 OH TYR A 34 -4.558 -6.517 -1.194 1.00 0.00 O ATOM 0 H TYR A 34 -4.093 -7.553 6.774 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.577 -8.845 4.165 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.770 -6.591 4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.878 -7.995 4.126 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.565 -5.596 3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.159 -8.842 1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.294 -5.162 0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.901 -8.409 -0.463 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.138 -7.161 -1.801 1.00 0.00 H new ATOM 348 N GLU A 35 -2.594 -10.503 4.600 1.00 0.00 N ATOM 349 CA GLU A 35 -1.939 -11.805 4.884 1.00 0.00 C ATOM 350 C GLU A 35 -0.920 -11.714 6.045 1.00 0.00 C ATOM 351 O GLU A 35 -0.932 -12.533 6.966 1.00 0.00 O ATOM 352 CB GLU A 35 -1.218 -12.282 3.586 1.00 0.00 C ATOM 353 CG GLU A 35 -2.092 -12.257 2.307 1.00 0.00 C ATOM 354 CD GLU A 35 -3.237 -13.286 2.310 1.00 0.00 C ATOM 355 OE1 GLU A 35 -3.016 -14.437 1.879 1.00 0.00 O ATOM 356 OE2 GLU A 35 -4.365 -12.943 2.734 1.00 0.00 O ATOM 0 H GLU A 35 -2.574 -10.268 3.608 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.706 -12.516 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.342 -11.654 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.856 -13.298 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.514 -11.259 2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.456 -12.439 1.441 1.00 0.00 H new ATOM 363 N GLU A 36 -0.058 -10.690 5.976 1.00 0.00 N ATOM 364 CA GLU A 36 1.033 -10.458 6.952 1.00 0.00 C ATOM 365 C GLU A 36 1.025 -9.001 7.468 1.00 0.00 C ATOM 366 O GLU A 36 1.906 -8.608 8.237 1.00 0.00 O ATOM 367 CB GLU A 36 2.393 -10.807 6.285 1.00 0.00 C ATOM 368 CG GLU A 36 2.612 -10.117 4.922 1.00 0.00 C ATOM 369 CD GLU A 36 3.968 -10.417 4.270 1.00 0.00 C ATOM 370 OE1 GLU A 36 4.278 -11.600 4.035 1.00 0.00 O ATOM 371 OE2 GLU A 36 4.711 -9.469 3.946 1.00 0.00 O ATOM 0 H GLU A 36 -0.093 -9.989 5.236 1.00 0.00 H new ATOM 0 HA GLU A 36 0.880 -11.103 7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.201 -10.524 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.454 -11.887 6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.819 -10.425 4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.517 -9.039 5.055 1.00 0.00 H new ATOM 378 N ILE A 37 0.032 -8.202 7.023 1.00 0.00 N ATOM 379 CA ILE A 37 -0.145 -6.800 7.458 1.00 0.00 C ATOM 380 C ILE A 37 -1.511 -6.672 8.153 1.00 0.00 C ATOM 381 O ILE A 37 -2.466 -7.328 7.749 1.00 0.00 O ATOM 382 CB ILE A 37 -0.074 -5.766 6.259 1.00 0.00 C ATOM 383 CG1 ILE A 37 1.170 -6.015 5.339 1.00 0.00 C ATOM 384 CG2 ILE A 37 -0.089 -4.307 6.776 1.00 0.00 C ATOM 385 CD1 ILE A 37 0.946 -7.020 4.227 1.00 0.00 C ATOM 0 H ILE A 37 -0.670 -8.511 6.351 1.00 0.00 H new ATOM 0 HA ILE A 37 0.674 -6.559 8.136 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.965 -5.924 5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.473 -5.066 4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.999 -6.357 5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.039 -3.621 5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.008 -4.128 7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.769 -4.143 7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.860 -7.127 3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.675 -7.984 4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.141 -6.673 3.579 1.00 0.00 H new ATOM 397 N SER A 38 -1.603 -5.844 9.198 1.00 0.00 N ATOM 398 CA SER A 38 -2.876 -5.572 9.897 1.00 0.00 C ATOM 399 C SER A 38 -3.479 -4.248 9.405 1.00 0.00 C ATOM 400 O SER A 38 -2.738 -3.331 9.024 1.00 0.00 O ATOM 401 CB SER A 38 -2.624 -5.519 11.415 1.00 0.00 C ATOM 402 OG SER A 38 -2.074 -6.741 11.875 1.00 0.00 O ATOM 0 H SER A 38 -0.805 -5.342 9.587 1.00 0.00 H new ATOM 0 HA SER A 38 -3.585 -6.371 9.681 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.945 -4.699 11.647 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.559 -5.316 11.937 1.00 0.00 H new ATOM 0 HG SER A 38 -1.919 -6.687 12.841 1.00 0.00 H new ATOM 408 N ALA A 39 -4.827 -4.160 9.406 1.00 0.00 N ATOM 409 CA ALA A 39 -5.549 -2.917 9.093 1.00 0.00 C ATOM 410 C ALA A 39 -5.177 -1.818 10.110 1.00 0.00 C ATOM 411 O ALA A 39 -5.402 -1.977 11.318 1.00 0.00 O ATOM 412 CB ALA A 39 -7.065 -3.165 9.087 1.00 0.00 C ATOM 0 H ALA A 39 -5.439 -4.947 9.623 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.257 -2.580 8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.585 -2.236 8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.308 -3.915 8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.379 -3.520 10.068 1.00 0.00 H new ATOM 418 N GLY A 40 -4.569 -0.735 9.608 1.00 0.00 N ATOM 419 CA GLY A 40 -4.090 0.372 10.440 1.00 0.00 C ATOM 420 C GLY A 40 -2.574 0.503 10.418 1.00 0.00 C ATOM 421 O GLY A 40 -2.039 1.541 10.823 1.00 0.00 O ATOM 0 H GLY A 40 -4.396 -0.604 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.537 1.303 10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.424 0.222 11.467 1.00 0.00 H new ATOM 425 N ASP A 41 -1.870 -0.548 9.952 1.00 0.00 N ATOM 426 CA ASP A 41 -0.403 -0.492 9.771 1.00 0.00 C ATOM 427 C ASP A 41 -0.061 0.397 8.576 1.00 0.00 C ATOM 428 O ASP A 41 -0.846 0.520 7.644 1.00 0.00 O ATOM 429 CB ASP A 41 0.218 -1.899 9.585 1.00 0.00 C ATOM 430 CG ASP A 41 1.760 -1.854 9.509 1.00 0.00 C ATOM 431 OD1 ASP A 41 2.390 -1.565 10.545 1.00 0.00 O ATOM 432 OD2 ASP A 41 2.343 -2.086 8.424 1.00 0.00 O ATOM 0 H ASP A 41 -2.289 -1.442 9.695 1.00 0.00 H new ATOM 0 HA ASP A 41 0.025 -0.068 10.679 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.084 -2.539 10.414 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.175 -2.350 8.674 1.00 0.00 H new ATOM 437 N GLU A 42 1.114 1.027 8.615 1.00 0.00 N ATOM 438 CA GLU A 42 1.527 2.003 7.610 1.00 0.00 C ATOM 439 C GLU A 42 2.788 1.534 6.877 1.00 0.00 C ATOM 440 O GLU A 42 3.661 0.869 7.454 1.00 0.00 O ATOM 441 CB GLU A 42 1.760 3.373 8.267 1.00 0.00 C ATOM 442 CG GLU A 42 0.554 3.940 9.029 1.00 0.00 C ATOM 443 CD GLU A 42 0.756 5.392 9.484 1.00 0.00 C ATOM 444 OE1 GLU A 42 1.790 5.684 10.134 1.00 0.00 O ATOM 445 OE2 GLU A 42 -0.103 6.252 9.180 1.00 0.00 O ATOM 0 H GLU A 42 1.807 0.873 9.347 1.00 0.00 H new ATOM 0 HA GLU A 42 0.728 2.099 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.600 3.290 8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.050 4.085 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.329 3.885 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.357 3.317 9.901 1.00 0.00 H new ATOM 452 N GLY A 43 2.849 1.896 5.595 1.00 0.00 N ATOM 453 CA GLY A 43 3.960 1.575 4.718 1.00 0.00 C ATOM 454 C GLY A 43 4.487 2.810 4.028 1.00 0.00 C ATOM 455 O GLY A 43 4.164 3.931 4.425 1.00 0.00 O ATOM 0 H GLY A 43 2.111 2.430 5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.759 1.109 5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.639 0.848 3.972 1.00 0.00 H new ATOM 459 N GLU A 44 5.296 2.609 2.982 1.00 0.00 N ATOM 460 CA GLU A 44 5.719 3.693 2.086 1.00 0.00 C ATOM 461 C GLU A 44 5.624 3.204 0.646 1.00 0.00 C ATOM 462 O GLU A 44 5.915 2.032 0.369 1.00 0.00 O ATOM 463 CB GLU A 44 7.155 4.181 2.408 1.00 0.00 C ATOM 464 CG GLU A 44 7.573 5.453 1.635 1.00 0.00 C ATOM 465 CD GLU A 44 8.935 6.020 2.063 1.00 0.00 C ATOM 466 OE1 GLU A 44 9.057 6.462 3.224 1.00 0.00 O ATOM 467 OE2 GLU A 44 9.885 6.026 1.252 1.00 0.00 O ATOM 0 H GLU A 44 5.675 1.695 2.733 1.00 0.00 H new ATOM 0 HA GLU A 44 5.058 4.547 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.230 4.377 3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.860 3.381 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.603 5.226 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.811 6.219 1.776 1.00 0.00 H new ATOM 474 N PHE A 45 5.211 4.097 -0.259 1.00 0.00 N ATOM 475 CA PHE A 45 5.058 3.790 -1.686 1.00 0.00 C ATOM 476 C PHE A 45 6.431 3.726 -2.366 1.00 0.00 C ATOM 477 O PHE A 45 7.173 4.715 -2.362 1.00 0.00 O ATOM 478 CB PHE A 45 4.162 4.863 -2.331 1.00 0.00 C ATOM 479 CG PHE A 45 3.833 4.627 -3.802 1.00 0.00 C ATOM 480 CD1 PHE A 45 2.974 3.609 -4.186 1.00 0.00 C ATOM 481 CD2 PHE A 45 4.354 5.445 -4.792 1.00 0.00 C ATOM 482 CE1 PHE A 45 2.652 3.432 -5.512 1.00 0.00 C ATOM 483 CE2 PHE A 45 4.038 5.264 -6.117 1.00 0.00 C ATOM 484 CZ PHE A 45 3.185 4.256 -6.476 1.00 0.00 C ATOM 0 H PHE A 45 4.972 5.060 -0.021 1.00 0.00 H new ATOM 0 HA PHE A 45 4.587 2.815 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.229 4.921 -1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.653 5.831 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.555 2.951 -3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.025 6.245 -4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.976 2.640 -5.798 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.460 5.913 -6.870 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.931 4.108 -7.515 1.00 0.00 H new ATOM 494 N ARG A 46 6.771 2.552 -2.941 1.00 0.00 N ATOM 495 CA ARG A 46 8.100 2.321 -3.554 1.00 0.00 C ATOM 496 C ARG A 46 7.965 2.275 -5.089 1.00 0.00 C ATOM 497 O ARG A 46 8.697 2.958 -5.812 1.00 0.00 O ATOM 498 CB ARG A 46 8.740 0.982 -3.043 1.00 0.00 C ATOM 499 CG ARG A 46 8.509 0.618 -1.554 1.00 0.00 C ATOM 500 CD ARG A 46 8.911 1.728 -0.571 1.00 0.00 C ATOM 501 NE ARG A 46 10.305 2.173 -0.721 1.00 0.00 N ATOM 502 CZ ARG A 46 10.955 2.944 0.161 1.00 0.00 C ATOM 503 NH1 ARG A 46 10.426 3.221 1.347 1.00 0.00 N ATOM 504 NH2 ARG A 46 12.158 3.396 -0.130 1.00 0.00 N ATOM 0 H ARG A 46 6.144 1.749 -2.994 1.00 0.00 H new ATOM 0 HA ARG A 46 8.753 3.144 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.355 0.167 -3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.815 1.031 -3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.455 0.381 -1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.074 -0.284 -1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.249 2.582 -0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.760 1.371 0.448 1.00 0.00 H new ATOM 0 HE ARG A 46 10.812 1.874 -1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.512 2.845 1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.934 3.810 2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.590 3.159 -1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.657 3.983 0.538 1.00 0.00 H new ATOM 518 N GLN A 47 6.996 1.464 -5.561 1.00 0.00 N ATOM 519 CA GLN A 47 6.696 1.265 -6.999 1.00 0.00 C ATOM 520 C GLN A 47 5.322 0.594 -7.142 1.00 0.00 C ATOM 521 O GLN A 47 4.808 0.014 -6.169 1.00 0.00 O ATOM 522 CB GLN A 47 7.790 0.401 -7.719 1.00 0.00 C ATOM 523 CG GLN A 47 7.858 -1.100 -7.313 1.00 0.00 C ATOM 524 CD GLN A 47 8.328 -1.346 -5.878 1.00 0.00 C ATOM 525 OE1 GLN A 47 7.400 -1.312 -4.930 1.00 0.00 O flip ATOM 526 NE2 GLN A 47 9.520 -1.511 -5.615 1.00 0.00 N flip ATOM 0 H GLN A 47 6.390 0.920 -4.947 1.00 0.00 H new ATOM 0 HA GLN A 47 6.690 2.244 -7.479 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.618 0.458 -8.794 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.764 0.852 -7.527 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.870 -1.543 -7.440 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.530 -1.619 -7.997 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.210 -1.532 -6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.817 -1.626 -4.646 1.00 0.00 H new ATOM 535 N SER A 48 4.747 0.646 -8.358 1.00 0.00 N ATOM 536 CA SER A 48 3.402 0.115 -8.619 1.00 0.00 C ATOM 537 C SER A 48 3.143 -0.115 -10.104 1.00 0.00 C ATOM 538 O SER A 48 4.001 0.121 -10.966 1.00 0.00 O ATOM 539 CB SER A 48 2.352 1.097 -8.088 1.00 0.00 C ATOM 540 OG SER A 48 2.370 2.329 -8.792 1.00 0.00 O ATOM 0 H SER A 48 5.198 1.053 -9.177 1.00 0.00 H new ATOM 0 HA SER A 48 3.334 -0.847 -8.111 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.362 0.648 -8.169 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.532 1.282 -7.029 1.00 0.00 H new ATOM 0 HG SER A 48 1.566 2.844 -8.570 1.00 0.00 H new ATOM 546 N ASN A 49 1.920 -0.606 -10.366 1.00 0.00 N ATOM 547 CA ASN A 49 1.310 -0.674 -11.691 1.00 0.00 C ATOM 548 C ASN A 49 -0.122 -0.139 -11.523 1.00 0.00 C ATOM 549 O ASN A 49 -0.836 -0.569 -10.606 1.00 0.00 O ATOM 550 CB ASN A 49 1.291 -2.135 -12.225 1.00 0.00 C ATOM 551 CG ASN A 49 2.576 -2.911 -11.927 1.00 0.00 C ATOM 552 OD1 ASN A 49 3.516 -2.910 -12.716 1.00 0.00 O ATOM 553 ND2 ASN A 49 2.624 -3.562 -10.764 1.00 0.00 N ATOM 0 H ASN A 49 1.315 -0.977 -9.633 1.00 0.00 H new ATOM 0 HA ASN A 49 1.876 -0.088 -12.415 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.446 -2.664 -11.784 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.128 -2.117 -13.303 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.462 -4.082 -10.505 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.822 -3.540 -10.134 1.00 0.00 H new ATOM 560 N ASN A 50 -0.527 0.817 -12.359 1.00 0.00 N ATOM 561 CA ASN A 50 -1.856 1.453 -12.258 1.00 0.00 C ATOM 562 C ASN A 50 -2.951 0.536 -12.855 1.00 0.00 C ATOM 563 O ASN A 50 -4.084 0.512 -12.369 1.00 0.00 O ATOM 564 CB ASN A 50 -1.841 2.847 -12.945 1.00 0.00 C ATOM 565 CG ASN A 50 -1.031 3.902 -12.183 1.00 0.00 C ATOM 566 OD1 ASN A 50 -1.572 4.636 -11.359 1.00 0.00 O ATOM 567 ND2 ASN A 50 0.265 3.997 -12.461 1.00 0.00 N ATOM 0 H ASN A 50 0.046 1.176 -13.123 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.094 1.601 -11.205 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.431 2.743 -13.949 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.867 3.199 -13.055 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.839 4.693 -11.985 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.686 3.374 -13.150 1.00 0.00 H new ATOM 574 N GLY A 51 -2.586 -0.222 -13.905 1.00 0.00 N ATOM 575 CA GLY A 51 -3.509 -1.159 -14.564 1.00 0.00 C ATOM 576 C GLY A 51 -3.533 -2.526 -13.898 1.00 0.00 C ATOM 577 O GLY A 51 -4.566 -3.211 -13.896 1.00 0.00 O ATOM 0 H GLY A 51 -1.653 -0.202 -14.316 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.514 -0.738 -14.556 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.219 -1.273 -15.609 1.00 0.00 H new ATOM 581 N ILE A 52 -2.378 -2.935 -13.353 1.00 0.00 N ATOM 582 CA ILE A 52 -2.244 -4.179 -12.579 1.00 0.00 C ATOM 583 C ILE A 52 -2.270 -3.776 -11.094 1.00 0.00 C ATOM 584 O ILE A 52 -1.248 -3.322 -10.562 1.00 0.00 O ATOM 585 CB ILE A 52 -0.905 -4.931 -12.919 1.00 0.00 C ATOM 586 CG1 ILE A 52 -0.725 -5.124 -14.461 1.00 0.00 C ATOM 587 CG2 ILE A 52 -0.794 -6.290 -12.186 1.00 0.00 C ATOM 588 CD1 ILE A 52 -1.794 -5.974 -15.141 1.00 0.00 C ATOM 0 H ILE A 52 -1.507 -2.411 -13.437 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.055 -4.866 -12.822 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.097 -4.295 -12.559 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.710 -4.142 -14.934 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.248 -5.580 -14.642 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.147 -6.771 -12.453 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.825 -6.126 -11.109 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.625 -6.931 -12.480 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.578 -6.046 -16.207 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.798 -6.972 -14.703 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.771 -5.512 -14.999 1.00 0.00 H new ATOM 600 N PRO A 53 -3.432 -3.936 -10.393 1.00 0.00 N ATOM 601 CA PRO A 53 -3.661 -3.300 -9.075 1.00 0.00 C ATOM 602 C PRO A 53 -2.726 -3.694 -7.867 1.00 0.00 C ATOM 603 O PRO A 53 -2.686 -2.904 -6.910 1.00 0.00 O ATOM 604 CB PRO A 53 -5.150 -3.614 -8.769 1.00 0.00 C ATOM 605 CG PRO A 53 -5.440 -4.848 -9.563 1.00 0.00 C ATOM 606 CD PRO A 53 -4.631 -4.708 -10.834 1.00 0.00 C ATOM 0 HA PRO A 53 -3.407 -2.244 -9.163 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.310 -3.780 -7.704 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.799 -2.790 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.155 -5.745 -9.013 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.504 -4.933 -9.782 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.356 -5.679 -11.245 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.187 -4.180 -11.609 1.00 0.00 H new ATOM 614 N PRO A 54 -2.009 -4.882 -7.815 1.00 0.00 N ATOM 615 CA PRO A 54 -1.006 -5.123 -6.754 1.00 0.00 C ATOM 616 C PRO A 54 0.166 -4.112 -6.816 1.00 0.00 C ATOM 617 O PRO A 54 1.039 -4.176 -7.694 1.00 0.00 O ATOM 618 CB PRO A 54 -0.539 -6.582 -6.987 1.00 0.00 C ATOM 619 CG PRO A 54 -0.888 -6.863 -8.410 1.00 0.00 C ATOM 620 CD PRO A 54 -2.159 -6.090 -8.664 1.00 0.00 C ATOM 0 HA PRO A 54 -1.424 -4.984 -5.757 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.532 -6.689 -6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.043 -7.273 -6.311 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.091 -6.543 -9.082 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.036 -7.930 -8.576 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.266 -5.829 -9.717 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.041 -6.667 -8.387 1.00 0.00 H new ATOM 628 N VAL A 55 0.098 -3.126 -5.915 1.00 0.00 N ATOM 629 CA VAL A 55 1.202 -2.205 -5.618 1.00 0.00 C ATOM 630 C VAL A 55 2.081 -2.792 -4.506 1.00 0.00 C ATOM 631 O VAL A 55 1.571 -3.322 -3.512 1.00 0.00 O ATOM 632 CB VAL A 55 0.688 -0.777 -5.195 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.456 -0.859 -4.164 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.845 0.109 -4.660 1.00 0.00 C ATOM 0 H VAL A 55 -0.739 -2.942 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 55 1.785 -2.085 -6.531 1.00 0.00 H new ATOM 0 HB VAL A 55 0.290 -0.307 -6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.781 0.147 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.293 -1.409 -4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.104 -1.373 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.454 1.087 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.295 -0.367 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.599 0.231 -5.437 1.00 0.00 H new ATOM 644 N GLN A 56 3.403 -2.716 -4.699 1.00 0.00 N ATOM 645 CA GLN A 56 4.373 -3.133 -3.690 1.00 0.00 C ATOM 646 C GLN A 56 4.723 -1.913 -2.809 1.00 0.00 C ATOM 647 O GLN A 56 5.177 -0.870 -3.302 1.00 0.00 O ATOM 648 CB GLN A 56 5.636 -3.755 -4.344 1.00 0.00 C ATOM 649 CG GLN A 56 5.431 -5.090 -5.093 1.00 0.00 C ATOM 650 CD GLN A 56 4.578 -4.983 -6.361 1.00 0.00 C ATOM 651 OE1 GLN A 56 5.084 -4.711 -7.445 1.00 0.00 O ATOM 652 NE2 GLN A 56 3.275 -5.197 -6.227 1.00 0.00 N ATOM 0 H GLN A 56 3.826 -2.364 -5.558 1.00 0.00 H new ATOM 0 HA GLN A 56 3.939 -3.912 -3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.051 -3.030 -5.044 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.383 -3.910 -3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.407 -5.496 -5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.964 -5.804 -4.415 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.887 -5.421 -5.311 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.662 -5.137 -7.040 1.00 0.00 H new ATOM 661 N VAL A 57 4.485 -2.063 -1.504 1.00 0.00 N ATOM 662 CA VAL A 57 4.675 -1.011 -0.483 1.00 0.00 C ATOM 663 C VAL A 57 5.383 -1.630 0.722 1.00 0.00 C ATOM 664 O VAL A 57 5.043 -2.740 1.126 1.00 0.00 O ATOM 665 CB VAL A 57 3.296 -0.359 -0.032 1.00 0.00 C ATOM 666 CG1 VAL A 57 3.022 0.965 -0.764 1.00 0.00 C ATOM 667 CG2 VAL A 57 2.120 -1.334 -0.240 1.00 0.00 C ATOM 0 H VAL A 57 4.145 -2.940 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 57 5.277 -0.211 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 57 3.384 -0.143 1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.071 1.377 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.822 1.673 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.979 0.785 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.192 -0.858 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.049 -1.599 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.286 -2.235 0.350 1.00 0.00 H new ATOM 677 N PHE A 58 6.378 -0.918 1.277 1.00 0.00 N ATOM 678 CA PHE A 58 7.202 -1.427 2.392 1.00 0.00 C ATOM 679 C PHE A 58 6.467 -1.210 3.730 1.00 0.00 C ATOM 680 O PHE A 58 6.415 -0.089 4.224 1.00 0.00 O ATOM 681 CB PHE A 58 8.585 -0.709 2.390 1.00 0.00 C ATOM 682 CG PHE A 58 9.552 -1.180 3.477 1.00 0.00 C ATOM 683 CD1 PHE A 58 10.272 -2.363 3.325 1.00 0.00 C ATOM 684 CD2 PHE A 58 9.745 -0.438 4.649 1.00 0.00 C ATOM 685 CE1 PHE A 58 11.149 -2.790 4.303 1.00 0.00 C ATOM 686 CE2 PHE A 58 10.622 -0.868 5.624 1.00 0.00 C ATOM 687 CZ PHE A 58 11.323 -2.045 5.453 1.00 0.00 C ATOM 0 H PHE A 58 6.634 0.020 0.970 1.00 0.00 H new ATOM 0 HA PHE A 58 7.368 -2.497 2.266 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.054 -0.856 1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.423 0.363 2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.143 -2.954 2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.200 0.483 4.792 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.700 -3.709 4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.760 -0.283 6.521 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.007 -2.383 6.218 1.00 0.00 H new ATOM 697 N TRP A 59 5.943 -2.307 4.302 1.00 0.00 N ATOM 698 CA TRP A 59 5.166 -2.294 5.560 1.00 0.00 C ATOM 699 C TRP A 59 6.075 -2.577 6.754 1.00 0.00 C ATOM 700 O TRP A 59 6.860 -3.535 6.727 1.00 0.00 O ATOM 701 CB TRP A 59 4.042 -3.351 5.513 1.00 0.00 C ATOM 702 CG TRP A 59 3.089 -3.159 4.366 1.00 0.00 C ATOM 703 CD1 TRP A 59 3.096 -3.816 3.170 1.00 0.00 C ATOM 704 CD2 TRP A 59 1.992 -2.242 4.316 1.00 0.00 C ATOM 705 NE1 TRP A 59 2.072 -3.367 2.386 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.380 -2.395 3.070 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.475 -1.305 5.211 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.267 -1.644 2.692 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.378 -0.563 4.838 1.00 0.00 C ATOM 710 CH2 TRP A 59 -0.216 -0.732 3.585 1.00 0.00 C ATOM 0 H TRP A 59 6.046 -3.240 3.902 1.00 0.00 H new ATOM 0 HA TRP A 59 4.724 -1.304 5.672 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.489 -4.343 5.442 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.484 -3.319 6.449 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.806 -4.578 2.886 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.856 -3.699 1.446 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.929 -1.164 6.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.197 -1.780 1.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.031 0.162 5.526 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.072 -0.130 3.318 1.00 0.00 H new ATOM 721 N GLN A 60 5.968 -1.735 7.792 1.00 0.00 N ATOM 722 CA GLN A 60 6.760 -1.878 9.025 1.00 0.00 C ATOM 723 C GLN A 60 6.320 -3.093 9.884 1.00 0.00 C ATOM 724 O GLN A 60 7.132 -3.606 10.660 1.00 0.00 O ATOM 725 CB GLN A 60 6.731 -0.568 9.856 1.00 0.00 C ATOM 726 CG GLN A 60 5.326 -0.072 10.243 1.00 0.00 C ATOM 727 CD GLN A 60 5.345 1.019 11.310 1.00 0.00 C ATOM 728 OE1 GLN A 60 5.397 2.208 11.012 1.00 0.00 O ATOM 729 NE2 GLN A 60 5.306 0.610 12.566 1.00 0.00 N ATOM 0 H GLN A 60 5.332 -0.937 7.802 1.00 0.00 H new ATOM 0 HA GLN A 60 7.788 -2.072 8.717 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.309 -0.721 10.767 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.233 0.216 9.288 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.824 0.308 9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.737 -0.915 10.605 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.263 -0.387 12.777 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.319 1.291 13.325 1.00 0.00 H new ATOM 738 N SER A 61 5.045 -3.544 9.746 1.00 0.00 N ATOM 739 CA SER A 61 4.516 -4.707 10.517 1.00 0.00 C ATOM 740 C SER A 61 5.285 -5.995 10.192 1.00 0.00 C ATOM 741 O SER A 61 5.666 -6.761 11.085 1.00 0.00 O ATOM 742 CB SER A 61 3.014 -4.935 10.221 1.00 0.00 C ATOM 743 OG SER A 61 2.773 -5.064 8.820 1.00 0.00 O ATOM 0 H SER A 61 4.365 -3.124 9.112 1.00 0.00 H new ATOM 0 HA SER A 61 4.648 -4.469 11.573 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.673 -5.834 10.735 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.433 -4.102 10.616 1.00 0.00 H new ATOM 0 HG SER A 61 2.674 -4.174 8.422 1.00 0.00 H new ATOM 749 N THR A 62 5.497 -6.209 8.893 1.00 0.00 N ATOM 750 CA THR A 62 6.152 -7.410 8.363 1.00 0.00 C ATOM 751 C THR A 62 7.636 -7.144 8.039 1.00 0.00 C ATOM 752 O THR A 62 8.434 -8.083 7.913 1.00 0.00 O ATOM 753 CB THR A 62 5.380 -7.930 7.108 1.00 0.00 C ATOM 754 OG1 THR A 62 6.009 -9.114 6.597 1.00 0.00 O ATOM 755 CG2 THR A 62 5.275 -6.864 5.998 1.00 0.00 C ATOM 0 H THR A 62 5.216 -5.547 8.169 1.00 0.00 H new ATOM 0 HA THR A 62 6.126 -8.184 9.130 1.00 0.00 H new ATOM 0 HB THR A 62 4.365 -8.163 7.428 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.766 -9.233 5.655 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.730 -7.276 5.149 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.746 -5.991 6.380 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.275 -6.571 5.679 1.00 0.00 H new ATOM 763 N GLY A 63 8.003 -5.855 7.920 1.00 0.00 N ATOM 764 CA GLY A 63 9.392 -5.457 7.674 1.00 0.00 C ATOM 765 C GLY A 63 9.833 -5.615 6.226 1.00 0.00 C ATOM 766 O GLY A 63 11.039 -5.670 5.953 1.00 0.00 O ATOM 0 H GLY A 63 7.352 -5.073 7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.519 -4.416 7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.048 -6.052 8.310 1.00 0.00 H new ATOM 770 N ARG A 64 8.866 -5.699 5.297 1.00 0.00 N ATOM 771 CA ARG A 64 9.146 -5.960 3.868 1.00 0.00 C ATOM 772 C ARG A 64 8.063 -5.355 2.972 1.00 0.00 C ATOM 773 O ARG A 64 7.004 -4.922 3.441 1.00 0.00 O ATOM 774 CB ARG A 64 9.281 -7.488 3.628 1.00 0.00 C ATOM 775 CG ARG A 64 8.009 -8.287 3.978 1.00 0.00 C ATOM 776 CD ARG A 64 8.211 -9.805 3.919 1.00 0.00 C ATOM 777 NE ARG A 64 8.537 -10.290 2.558 1.00 0.00 N ATOM 778 CZ ARG A 64 7.642 -10.744 1.657 1.00 0.00 C ATOM 779 NH1 ARG A 64 6.339 -10.720 1.915 1.00 0.00 N ATOM 780 NH2 ARG A 64 8.057 -11.210 0.490 1.00 0.00 N ATOM 0 H ARG A 64 7.874 -5.589 5.509 1.00 0.00 H new ATOM 0 HA ARG A 64 10.089 -5.480 3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.531 -7.661 2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.112 -7.868 4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.678 -8.010 4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.211 -8.007 3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.013 -10.087 4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.306 -10.301 4.269 1.00 0.00 H new ATOM 0 HE ARG A 64 9.518 -10.280 2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.002 -10.354 2.806 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.676 -11.067 1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.053 -11.226 0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.380 -11.553 -0.192 1.00 0.00 H new ATOM 794 N THR A 65 8.354 -5.370 1.671 1.00 0.00 N ATOM 795 CA THR A 65 7.497 -4.832 0.632 1.00 0.00 C ATOM 796 C THR A 65 6.489 -5.921 0.206 1.00 0.00 C ATOM 797 O THR A 65 6.896 -7.059 -0.056 1.00 0.00 O ATOM 798 CB THR A 65 8.403 -4.380 -0.573 1.00 0.00 C ATOM 799 OG1 THR A 65 9.665 -3.883 -0.079 1.00 0.00 O ATOM 800 CG2 THR A 65 7.758 -3.273 -1.392 1.00 0.00 C ATOM 0 H THR A 65 9.219 -5.770 1.308 1.00 0.00 H new ATOM 0 HA THR A 65 6.935 -3.968 0.988 1.00 0.00 H new ATOM 0 HB THR A 65 8.543 -5.255 -1.208 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.225 -3.605 -0.834 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.420 -2.994 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.809 -3.625 -1.796 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.582 -2.405 -0.756 1.00 0.00 H new ATOM 808 N TYR A 66 5.180 -5.592 0.177 1.00 0.00 N ATOM 809 CA TYR A 66 4.121 -6.582 -0.107 1.00 0.00 C ATOM 810 C TYR A 66 3.130 -6.064 -1.160 1.00 0.00 C ATOM 811 O TYR A 66 2.922 -4.854 -1.305 1.00 0.00 O ATOM 812 CB TYR A 66 3.366 -6.970 1.197 1.00 0.00 C ATOM 813 CG TYR A 66 2.573 -8.286 1.076 1.00 0.00 C ATOM 814 CD1 TYR A 66 3.249 -9.501 1.042 1.00 0.00 C ATOM 815 CD2 TYR A 66 1.173 -8.326 0.986 1.00 0.00 C ATOM 816 CE1 TYR A 66 2.582 -10.693 0.912 1.00 0.00 C ATOM 817 CE2 TYR A 66 0.502 -9.526 0.862 1.00 0.00 C ATOM 818 CZ TYR A 66 1.217 -10.705 0.827 1.00 0.00 C ATOM 819 OH TYR A 66 0.566 -11.902 0.688 1.00 0.00 O ATOM 0 H TYR A 66 4.832 -4.648 0.347 1.00 0.00 H new ATOM 0 HA TYR A 66 4.606 -7.471 -0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.085 -7.061 2.011 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.682 -6.165 1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.326 -9.506 1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.612 -7.404 1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.134 -11.621 0.877 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.576 -9.542 0.793 1.00 0.00 H new ATOM 0 HH TYR A 66 1.085 -12.609 1.125 1.00 0.00 H new ATOM 829 N TRP A 67 2.499 -7.031 -1.845 1.00 0.00 N ATOM 830 CA TRP A 67 1.556 -6.815 -2.940 1.00 0.00 C ATOM 831 C TRP A 67 0.148 -6.578 -2.364 1.00 0.00 C ATOM 832 O TRP A 67 -0.526 -7.534 -1.954 1.00 0.00 O ATOM 833 CB TRP A 67 1.559 -8.068 -3.875 1.00 0.00 C ATOM 834 CG TRP A 67 2.930 -8.496 -4.364 1.00 0.00 C ATOM 835 CD1 TRP A 67 3.496 -8.204 -5.569 1.00 0.00 C ATOM 836 CD2 TRP A 67 3.893 -9.310 -3.665 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.749 -8.744 -5.647 1.00 0.00 N ATOM 838 CE2 TRP A 67 5.016 -9.428 -4.497 1.00 0.00 C ATOM 839 CE3 TRP A 67 3.920 -9.930 -2.410 1.00 0.00 C ATOM 840 CZ2 TRP A 67 6.149 -10.150 -4.126 1.00 0.00 C ATOM 841 CZ3 TRP A 67 5.041 -10.647 -2.039 1.00 0.00 C ATOM 842 CH2 TRP A 67 6.147 -10.749 -2.894 1.00 0.00 C ATOM 0 H TRP A 67 2.641 -8.020 -1.639 1.00 0.00 H new ATOM 0 HA TRP A 67 1.850 -5.939 -3.519 1.00 0.00 H new ATOM 0 HB2 TRP A 67 1.103 -8.902 -3.342 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.929 -7.859 -4.740 1.00 0.00 H new ATOM 0 HD1 TRP A 67 3.022 -7.628 -6.350 1.00 0.00 H new ATOM 0 HE1 TRP A 67 5.384 -8.650 -6.440 1.00 0.00 H new ATOM 0 HE3 TRP A 67 3.076 -9.849 -1.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 6.999 -10.234 -4.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.066 -11.136 -1.076 1.00 0.00 H new ATOM 0 HH2 TRP A 67 7.013 -11.310 -2.576 1.00 0.00 H new ATOM 853 N VAL A 68 -0.280 -5.304 -2.291 1.00 0.00 N ATOM 854 CA VAL A 68 -1.629 -4.937 -1.788 1.00 0.00 C ATOM 855 C VAL A 68 -2.449 -4.263 -2.900 1.00 0.00 C ATOM 856 O VAL A 68 -1.892 -3.801 -3.898 1.00 0.00 O ATOM 857 CB VAL A 68 -1.575 -4.014 -0.505 1.00 0.00 C ATOM 858 CG1 VAL A 68 -0.682 -4.640 0.596 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.134 -2.573 -0.847 1.00 0.00 C ATOM 0 H VAL A 68 0.287 -4.505 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.118 -5.864 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.589 -3.947 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.663 -3.984 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.085 -5.611 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.331 -4.766 0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.111 -1.974 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.140 -2.593 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.840 -2.134 -1.552 1.00 0.00 H new ATOM 869 N HIS A 69 -3.776 -4.221 -2.711 1.00 0.00 N ATOM 870 CA HIS A 69 -4.715 -3.631 -3.685 1.00 0.00 C ATOM 871 C HIS A 69 -4.945 -2.144 -3.355 1.00 0.00 C ATOM 872 O HIS A 69 -4.950 -1.758 -2.182 1.00 0.00 O ATOM 873 CB HIS A 69 -6.061 -4.417 -3.668 1.00 0.00 C ATOM 874 CG HIS A 69 -6.970 -4.168 -4.854 1.00 0.00 C ATOM 875 ND1 HIS A 69 -7.778 -3.127 -5.160 1.00 0.00 N flip ATOM 876 CD2 HIS A 69 -7.115 -5.058 -5.889 1.00 0.00 C flip ATOM 877 CE1 HIS A 69 -8.378 -3.405 -6.357 1.00 0.00 C flip ATOM 878 NE2 HIS A 69 -7.958 -4.576 -6.772 1.00 0.00 N flip ATOM 0 H HIS A 69 -4.232 -4.595 -1.879 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.289 -3.700 -4.686 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -5.840 -5.483 -3.618 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.601 -4.161 -2.757 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.612 -6.011 -5.965 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -9.080 -2.767 -6.874 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.240 -5.036 -7.638 1.00 0.00 H new ATOM 887 N TRP A 70 -5.174 -1.340 -4.405 1.00 0.00 N ATOM 888 CA TRP A 70 -5.371 0.125 -4.309 1.00 0.00 C ATOM 889 C TRP A 70 -6.564 0.524 -3.409 1.00 0.00 C ATOM 890 O TRP A 70 -6.457 1.442 -2.603 1.00 0.00 O ATOM 891 CB TRP A 70 -5.602 0.700 -5.713 1.00 0.00 C ATOM 892 CG TRP A 70 -4.431 0.585 -6.641 1.00 0.00 C ATOM 893 CD1 TRP A 70 -4.352 -0.151 -7.785 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.179 1.256 -6.503 1.00 0.00 C ATOM 895 NE1 TRP A 70 -3.124 0.008 -8.363 1.00 0.00 N ATOM 896 CE2 TRP A 70 -2.389 0.877 -7.598 1.00 0.00 C ATOM 897 CE3 TRP A 70 -2.654 2.149 -5.554 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.103 1.360 -7.772 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.377 2.624 -5.730 1.00 0.00 C ATOM 900 CH2 TRP A 70 -0.615 2.234 -6.832 1.00 0.00 C ATOM 0 H TRP A 70 -5.229 -1.689 -5.362 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.468 0.533 -3.854 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.455 0.191 -6.163 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.871 1.752 -5.619 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -5.145 -0.770 -8.178 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -2.807 -0.444 -9.220 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.243 2.456 -4.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.504 1.059 -8.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.958 3.308 -5.007 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.383 2.629 -6.948 1.00 0.00 H new ATOM 911 N HIS A 71 -7.706 -0.158 -3.591 1.00 0.00 N ATOM 912 CA HIS A 71 -8.952 0.120 -2.838 1.00 0.00 C ATOM 913 C HIS A 71 -8.801 -0.214 -1.332 1.00 0.00 C ATOM 914 O HIS A 71 -9.551 0.301 -0.500 1.00 0.00 O ATOM 915 CB HIS A 71 -10.128 -0.666 -3.472 1.00 0.00 C ATOM 916 CG HIS A 71 -11.474 -0.383 -2.853 1.00 0.00 C ATOM 917 ND1 HIS A 71 -12.347 0.627 -3.061 1.00 0.00 N flip ATOM 918 CD2 HIS A 71 -12.042 -1.175 -1.875 1.00 0.00 C flip ATOM 919 CE1 HIS A 71 -13.408 0.433 -2.220 1.00 0.00 C flip ATOM 920 NE2 HIS A 71 -13.200 -0.660 -1.515 1.00 0.00 N flip ATOM 0 H HIS A 71 -7.798 -0.919 -4.264 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.162 1.188 -2.902 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.174 -0.431 -4.535 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.921 -1.733 -3.390 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -11.605 -2.075 -1.469 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -14.275 1.072 -2.146 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -13.829 -1.043 -0.809 1.00 0.00 H new ATOM 929 N MET A 72 -7.823 -1.081 -1.000 1.00 0.00 N ATOM 930 CA MET A 72 -7.471 -1.409 0.401 1.00 0.00 C ATOM 931 C MET A 72 -6.197 -0.664 0.846 1.00 0.00 C ATOM 932 O MET A 72 -5.665 -0.928 1.929 1.00 0.00 O ATOM 933 CB MET A 72 -7.324 -2.944 0.567 1.00 0.00 C ATOM 934 CG MET A 72 -8.660 -3.698 0.506 1.00 0.00 C ATOM 935 SD MET A 72 -8.500 -5.474 0.771 1.00 0.00 S ATOM 936 CE MET A 72 -7.699 -6.004 -0.740 1.00 0.00 C ATOM 0 H MET A 72 -7.256 -1.573 -1.690 1.00 0.00 H new ATOM 0 HA MET A 72 -8.279 -1.072 1.051 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.665 -3.324 -0.214 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.841 -3.154 1.521 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.334 -3.286 1.257 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.121 -3.524 -0.466 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.460 -7.065 -0.672 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.367 -5.835 -1.584 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.781 -5.434 -0.884 1.00 0.00 H new ATOM 946 N LEU A 73 -5.734 0.285 0.015 1.00 0.00 N ATOM 947 CA LEU A 73 -4.629 1.193 0.349 1.00 0.00 C ATOM 948 C LEU A 73 -5.223 2.602 0.543 1.00 0.00 C ATOM 949 O LEU A 73 -5.850 3.160 -0.360 1.00 0.00 O ATOM 950 CB LEU A 73 -3.525 1.151 -0.769 1.00 0.00 C ATOM 951 CG LEU A 73 -2.145 1.870 -0.472 1.00 0.00 C ATOM 952 CD1 LEU A 73 -1.030 1.355 -1.406 1.00 0.00 C ATOM 953 CD2 LEU A 73 -2.240 3.408 -0.592 1.00 0.00 C ATOM 0 H LEU A 73 -6.121 0.443 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.135 0.888 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.316 0.105 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.946 1.594 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.896 1.624 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.097 1.869 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.900 0.283 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.305 1.549 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.267 3.850 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.546 3.676 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.974 3.784 0.121 1.00 0.00 H new ATOM 965 N GLU A 74 -5.025 3.143 1.741 1.00 0.00 N ATOM 966 CA GLU A 74 -5.335 4.536 2.097 1.00 0.00 C ATOM 967 C GLU A 74 -4.004 5.297 2.218 1.00 0.00 C ATOM 968 O GLU A 74 -2.987 4.681 2.501 1.00 0.00 O ATOM 969 CB GLU A 74 -6.113 4.560 3.442 1.00 0.00 C ATOM 970 CG GLU A 74 -6.398 5.960 4.014 1.00 0.00 C ATOM 971 CD GLU A 74 -7.213 5.914 5.320 1.00 0.00 C ATOM 972 OE1 GLU A 74 -6.618 5.778 6.412 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.458 5.992 5.257 1.00 0.00 O ATOM 0 H GLU A 74 -4.633 2.613 2.519 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.958 5.009 1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.062 4.043 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.546 3.993 4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.453 6.472 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.940 6.547 3.273 1.00 0.00 H new ATOM 980 N ILE A 75 -3.974 6.606 1.938 1.00 0.00 N ATOM 981 CA ILE A 75 -2.755 7.429 2.142 1.00 0.00 C ATOM 982 C ILE A 75 -2.955 8.485 3.247 1.00 0.00 C ATOM 983 O ILE A 75 -3.807 9.365 3.133 1.00 0.00 O ATOM 984 CB ILE A 75 -2.250 8.084 0.802 1.00 0.00 C ATOM 985 CG1 ILE A 75 -3.407 8.807 0.034 1.00 0.00 C ATOM 986 CG2 ILE A 75 -1.580 7.013 -0.081 1.00 0.00 C ATOM 987 CD1 ILE A 75 -3.006 9.416 -1.301 1.00 0.00 C ATOM 0 H ILE A 75 -4.772 7.125 1.571 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.972 6.750 2.479 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.514 8.848 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.213 8.093 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.809 9.595 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.232 7.471 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.732 6.581 0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.301 6.229 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.873 9.894 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.224 10.158 -1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.634 8.633 -1.961 1.00 0.00 H new ATOM 999 N LEU A 76 -2.167 8.357 4.337 1.00 0.00 N ATOM 1000 CA LEU A 76 -2.059 9.385 5.401 1.00 0.00 C ATOM 1001 C LEU A 76 -0.744 10.188 5.237 1.00 0.00 C ATOM 1002 O LEU A 76 -0.348 10.952 6.127 1.00 0.00 O ATOM 1003 CB LEU A 76 -2.146 8.728 6.813 1.00 0.00 C ATOM 1004 CG LEU A 76 -3.471 7.959 7.141 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -3.478 7.457 8.602 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -4.723 8.817 6.833 1.00 0.00 C ATOM 0 H LEU A 76 -1.585 7.536 4.506 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.895 10.077 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.312 8.034 6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.009 9.508 7.562 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.511 7.086 6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.410 6.927 8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.637 6.782 8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.393 8.307 9.279 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.622 8.249 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.697 9.727 7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.733 9.080 5.775 1.00 0.00 H new ATOM 1018 N GLY A 77 -0.084 9.997 4.073 1.00 0.00 N ATOM 1019 CA GLY A 77 1.116 10.749 3.699 1.00 0.00 C ATOM 1020 C GLY A 77 0.856 12.236 3.494 1.00 0.00 C ATOM 1021 O GLY A 77 1.557 13.059 4.096 1.00 0.00 O ATOM 0 H GLY A 77 -0.375 9.315 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.872 10.623 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.528 10.329 2.781 1.00 0.00 H new TER 1025 GLY A 77