USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=12 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= 0.436 USER MOD Set 1.2: A 72 MET CE :methyl 180:sc= -0.318 (180deg=-0.288) USER MOD Set 2.1: A 49 ASN : amide:sc= 0.13 X(o=-0.23,f=-0.34) USER MOD Set 2.2: A 56 GLN : amide:sc= -0.365 X(o=-0.23,f=-0.34) USER MOD Set 3.1: A 19 GLN : amide:sc= -0.407 X(o=-0.43,f=-0.044) USER MOD Set 3.2: A 20 GLN : amide:sc= -0.0245 X(o=-0.43,f=-0.044) USER MOD Single : A 14 TYR OH : rot -40:sc= -1.31 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -34:sc= 0.603 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 26 MET CE :methyl -166:sc= -0.124 (180deg=-0.999) USER MOD Single : A 30 MET CE :methyl -142:sc= -0.614 (180deg=-2.57!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -7.1! C(o=-7.1!,f=-3.5!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.105 USER MOD Single : A 50 ASN : amide:sc= -0.287 X(o=-0.29,f=0) USER MOD Single : A 60 GLN : amide:sc= 0.0344 K(o=0.034,f=-2.8!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -29:sc= 0.0506 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.409 USER MOD Single : A 69 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.59) USER MOD Single : A 71 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.425 4.304 -5.572 1.00 0.00 N ATOM 2 CA TYR A 14 -11.356 4.596 -4.591 1.00 0.00 C ATOM 3 C TYR A 14 -9.995 4.084 -5.069 1.00 0.00 C ATOM 4 O TYR A 14 -8.974 4.755 -4.891 1.00 0.00 O ATOM 5 CB TYR A 14 -11.714 3.971 -3.223 1.00 0.00 C ATOM 6 CG TYR A 14 -10.710 4.276 -2.106 1.00 0.00 C ATOM 7 CD1 TYR A 14 -10.588 5.565 -1.583 1.00 0.00 C ATOM 8 CD2 TYR A 14 -9.886 3.279 -1.575 1.00 0.00 C ATOM 9 CE1 TYR A 14 -9.689 5.843 -0.579 1.00 0.00 C ATOM 10 CE2 TYR A 14 -8.988 3.555 -0.572 1.00 0.00 C ATOM 11 CZ TYR A 14 -8.894 4.835 -0.079 1.00 0.00 C ATOM 12 OH TYR A 14 -8.006 5.107 0.919 1.00 0.00 O ATOM 0 HA TYR A 14 -11.281 5.678 -4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.697 4.330 -2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.792 2.890 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.210 6.357 -1.973 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.957 2.273 -1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.607 6.845 -0.185 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.360 2.772 -0.174 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.584 5.976 0.753 1.00 0.00 H new ATOM 22 N GLY A 15 -10.006 2.889 -5.673 1.00 0.00 N ATOM 23 CA GLY A 15 -8.794 2.265 -6.183 1.00 0.00 C ATOM 24 C GLY A 15 -8.196 3.027 -7.352 1.00 0.00 C ATOM 25 O GLY A 15 -6.973 3.117 -7.480 1.00 0.00 O ATOM 0 H GLY A 15 -10.851 2.337 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.058 2.199 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.018 1.245 -6.495 1.00 0.00 H new ATOM 29 N GLU A 16 -9.078 3.584 -8.201 1.00 0.00 N ATOM 30 CA GLU A 16 -8.681 4.499 -9.280 1.00 0.00 C ATOM 31 C GLU A 16 -8.055 5.766 -8.675 1.00 0.00 C ATOM 32 O GLU A 16 -6.966 6.177 -9.075 1.00 0.00 O ATOM 33 CB GLU A 16 -9.908 4.887 -10.144 1.00 0.00 C ATOM 34 CG GLU A 16 -9.580 5.840 -11.321 1.00 0.00 C ATOM 35 CD GLU A 16 -10.830 6.351 -12.053 1.00 0.00 C ATOM 36 OE1 GLU A 16 -11.336 5.646 -12.955 1.00 0.00 O ATOM 37 OE2 GLU A 16 -11.326 7.454 -11.714 1.00 0.00 O ATOM 0 H GLU A 16 -10.082 3.412 -8.157 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.952 3.996 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.360 3.978 -10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.653 5.360 -9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.014 6.692 -10.943 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.937 5.321 -12.032 1.00 0.00 H new ATOM 44 N TYR A 17 -8.752 6.319 -7.662 1.00 0.00 N ATOM 45 CA TYR A 17 -8.414 7.609 -7.038 1.00 0.00 C ATOM 46 C TYR A 17 -6.986 7.613 -6.470 1.00 0.00 C ATOM 47 O TYR A 17 -6.185 8.492 -6.803 1.00 0.00 O ATOM 48 CB TYR A 17 -9.430 7.895 -5.897 1.00 0.00 C ATOM 49 CG TYR A 17 -9.041 9.055 -4.975 1.00 0.00 C ATOM 50 CD1 TYR A 17 -8.945 10.357 -5.462 1.00 0.00 C ATOM 51 CD2 TYR A 17 -8.742 8.839 -3.623 1.00 0.00 C ATOM 52 CE1 TYR A 17 -8.574 11.391 -4.643 1.00 0.00 C ATOM 53 CE2 TYR A 17 -8.372 9.878 -2.802 1.00 0.00 C ATOM 54 CZ TYR A 17 -8.290 11.154 -3.318 1.00 0.00 C ATOM 55 OH TYR A 17 -7.921 12.199 -2.506 1.00 0.00 O ATOM 0 H TYR A 17 -9.574 5.876 -7.252 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.466 8.384 -7.802 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.403 8.110 -6.339 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.545 6.993 -5.296 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.166 10.554 -6.501 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.803 7.839 -3.219 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.504 12.394 -5.038 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -8.147 9.696 -1.761 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.756 11.866 -1.599 1.00 0.00 H new ATOM 65 N VAL A 18 -6.680 6.597 -5.650 1.00 0.00 N ATOM 66 CA VAL A 18 -5.363 6.458 -5.015 1.00 0.00 C ATOM 67 C VAL A 18 -4.277 6.167 -6.068 1.00 0.00 C ATOM 68 O VAL A 18 -3.188 6.717 -5.982 1.00 0.00 O ATOM 69 CB VAL A 18 -5.367 5.384 -3.862 1.00 0.00 C ATOM 70 CG1 VAL A 18 -6.248 5.846 -2.671 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.815 4.006 -4.376 1.00 0.00 C ATOM 0 H VAL A 18 -7.335 5.853 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.124 7.411 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.342 5.285 -3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.232 5.086 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.859 6.783 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.273 5.994 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.806 3.290 -3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.824 4.079 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.133 3.670 -5.157 1.00 0.00 H new ATOM 81 N GLN A 19 -4.617 5.351 -7.096 1.00 0.00 N ATOM 82 CA GLN A 19 -3.703 5.023 -8.223 1.00 0.00 C ATOM 83 C GLN A 19 -3.231 6.321 -8.925 1.00 0.00 C ATOM 84 O GLN A 19 -2.076 6.424 -9.347 1.00 0.00 O ATOM 85 CB GLN A 19 -4.435 4.048 -9.210 1.00 0.00 C ATOM 86 CG GLN A 19 -3.559 3.255 -10.225 1.00 0.00 C ATOM 87 CD GLN A 19 -3.112 4.045 -11.466 1.00 0.00 C ATOM 88 OE1 GLN A 19 -3.823 4.106 -12.467 1.00 0.00 O ATOM 89 NE2 GLN A 19 -1.925 4.625 -11.422 1.00 0.00 N ATOM 0 H GLN A 19 -5.530 4.902 -7.169 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.810 4.521 -7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.996 3.327 -8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.163 4.628 -9.777 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.671 2.891 -9.707 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.117 2.379 -10.554 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.356 4.558 -10.578 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.578 5.139 -12.232 1.00 0.00 H new ATOM 98 N GLN A 20 -4.124 7.331 -8.976 1.00 0.00 N ATOM 99 CA GLN A 20 -3.832 8.624 -9.622 1.00 0.00 C ATOM 100 C GLN A 20 -2.981 9.524 -8.702 1.00 0.00 C ATOM 101 O GLN A 20 -1.951 10.060 -9.126 1.00 0.00 O ATOM 102 CB GLN A 20 -5.146 9.369 -10.000 1.00 0.00 C ATOM 103 CG GLN A 20 -6.127 8.597 -10.905 1.00 0.00 C ATOM 104 CD GLN A 20 -5.480 8.014 -12.164 1.00 0.00 C ATOM 105 OE1 GLN A 20 -5.399 8.673 -13.200 1.00 0.00 O ATOM 106 NE2 GLN A 20 -5.025 6.769 -12.081 1.00 0.00 N ATOM 0 H GLN A 20 -5.060 7.273 -8.574 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.269 8.412 -10.531 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.666 9.636 -9.080 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.881 10.301 -10.498 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.576 7.787 -10.330 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.936 9.265 -11.200 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.109 6.253 -11.205 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.591 6.329 -12.893 1.00 0.00 H new ATOM 115 N THR A 21 -3.420 9.677 -7.436 1.00 0.00 N ATOM 116 CA THR A 21 -2.847 10.676 -6.501 1.00 0.00 C ATOM 117 C THR A 21 -1.669 10.111 -5.654 1.00 0.00 C ATOM 118 O THR A 21 -1.130 10.819 -4.789 1.00 0.00 O ATOM 119 CB THR A 21 -3.962 11.284 -5.578 1.00 0.00 C ATOM 120 OG1 THR A 21 -3.428 12.378 -4.813 1.00 0.00 O ATOM 121 CG2 THR A 21 -4.580 10.247 -4.625 1.00 0.00 C ATOM 0 H THR A 21 -4.173 9.120 -7.033 1.00 0.00 H new ATOM 0 HA THR A 21 -2.430 11.473 -7.117 1.00 0.00 H new ATOM 0 HB THR A 21 -4.756 11.635 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.493 12.193 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.344 10.726 -4.012 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.032 9.443 -5.206 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.803 9.837 -3.980 1.00 0.00 H new ATOM 129 N LEU A 22 -1.258 8.851 -5.912 1.00 0.00 N ATOM 130 CA LEU A 22 -0.104 8.236 -5.212 1.00 0.00 C ATOM 131 C LEU A 22 1.216 8.892 -5.685 1.00 0.00 C ATOM 132 O LEU A 22 1.504 8.937 -6.888 1.00 0.00 O ATOM 133 CB LEU A 22 -0.051 6.671 -5.406 1.00 0.00 C ATOM 134 CG LEU A 22 -0.127 5.801 -4.094 1.00 0.00 C ATOM 135 CD1 LEU A 22 0.848 6.298 -3.008 1.00 0.00 C ATOM 136 CD2 LEU A 22 -1.563 5.706 -3.546 1.00 0.00 C ATOM 0 H LEU A 22 -1.704 8.240 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.232 8.418 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.874 6.379 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.873 6.422 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 22 0.185 4.795 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.759 5.667 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.869 6.251 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.606 7.328 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.568 5.097 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.930 6.705 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.209 5.248 -4.295 1.00 0.00 H new ATOM 148 N GLN A 23 1.992 9.397 -4.720 1.00 0.00 N ATOM 149 CA GLN A 23 3.309 10.009 -4.955 1.00 0.00 C ATOM 150 C GLN A 23 4.404 8.927 -4.843 1.00 0.00 C ATOM 151 O GLN A 23 4.310 8.065 -3.954 1.00 0.00 O ATOM 152 CB GLN A 23 3.573 11.120 -3.900 1.00 0.00 C ATOM 153 CG GLN A 23 4.984 11.759 -3.966 1.00 0.00 C ATOM 154 CD GLN A 23 5.375 12.479 -2.683 1.00 0.00 C ATOM 155 OE1 GLN A 23 5.970 11.885 -1.790 1.00 0.00 O ATOM 156 NE2 GLN A 23 5.029 13.746 -2.575 1.00 0.00 N ATOM 0 H GLN A 23 1.720 9.393 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 23 3.326 10.449 -5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.828 11.905 -4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.427 10.699 -2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.718 10.982 -4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.018 12.464 -4.796 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.535 14.207 -3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.255 14.266 -1.727 1.00 0.00 H new ATOM 165 N PRO A 24 5.452 8.944 -5.738 1.00 0.00 N ATOM 166 CA PRO A 24 6.632 8.060 -5.606 1.00 0.00 C ATOM 167 C PRO A 24 7.453 8.337 -4.321 1.00 0.00 C ATOM 168 O PRO A 24 8.400 9.125 -4.341 1.00 0.00 O ATOM 169 CB PRO A 24 7.455 8.321 -6.908 1.00 0.00 C ATOM 170 CG PRO A 24 6.485 8.968 -7.853 1.00 0.00 C ATOM 171 CD PRO A 24 5.539 9.767 -6.982 1.00 0.00 C ATOM 0 HA PRO A 24 6.344 7.014 -5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.309 8.970 -6.713 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.848 7.392 -7.320 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.001 9.612 -8.564 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.946 8.220 -8.434 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.924 10.766 -6.779 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.564 9.891 -7.453 1.00 0.00 H new ATOM 179 N GLY A 25 7.033 7.725 -3.190 1.00 0.00 N ATOM 180 CA GLY A 25 7.806 7.753 -1.945 1.00 0.00 C ATOM 181 C GLY A 25 7.067 8.468 -0.834 1.00 0.00 C ATOM 182 O GLY A 25 7.692 9.091 0.030 1.00 0.00 O ATOM 0 H GLY A 25 6.158 7.206 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.029 6.732 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.761 8.248 -2.122 1.00 0.00 H new ATOM 186 N MET A 26 5.724 8.380 -0.857 1.00 0.00 N ATOM 187 CA MET A 26 4.863 8.971 0.186 1.00 0.00 C ATOM 188 C MET A 26 4.411 7.883 1.166 1.00 0.00 C ATOM 189 O MET A 26 4.618 6.693 0.938 1.00 0.00 O ATOM 190 CB MET A 26 3.626 9.688 -0.429 1.00 0.00 C ATOM 191 CG MET A 26 2.564 8.762 -1.039 1.00 0.00 C ATOM 192 SD MET A 26 1.127 9.657 -1.680 1.00 0.00 S ATOM 193 CE MET A 26 0.489 10.476 -0.214 1.00 0.00 C ATOM 0 H MET A 26 5.207 7.900 -1.594 1.00 0.00 H new ATOM 0 HA MET A 26 5.447 9.721 0.719 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.155 10.292 0.346 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.972 10.374 -1.202 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.014 8.184 -1.846 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.234 8.050 -0.283 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.516 10.848 -0.413 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.456 9.767 0.613 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.139 11.310 0.049 1.00 0.00 H new ATOM 203 N ARG A 27 3.725 8.316 2.207 1.00 0.00 N ATOM 204 CA ARG A 27 3.313 7.476 3.331 1.00 0.00 C ATOM 205 C ARG A 27 1.925 6.900 3.040 1.00 0.00 C ATOM 206 O ARG A 27 1.005 7.640 2.663 1.00 0.00 O ATOM 207 CB ARG A 27 3.286 8.341 4.609 1.00 0.00 C ATOM 208 CG ARG A 27 2.934 7.618 5.928 1.00 0.00 C ATOM 209 CD ARG A 27 3.976 6.577 6.315 1.00 0.00 C ATOM 210 NE ARG A 27 3.767 6.020 7.660 1.00 0.00 N ATOM 211 CZ ARG A 27 4.708 5.381 8.375 1.00 0.00 C ATOM 212 NH1 ARG A 27 5.941 5.227 7.901 1.00 0.00 N ATOM 213 NH2 ARG A 27 4.401 4.909 9.568 1.00 0.00 N ATOM 0 H ARG A 27 3.428 9.287 2.303 1.00 0.00 H new ATOM 0 HA ARG A 27 4.012 6.651 3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.265 8.806 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.567 9.146 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.843 8.352 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.962 7.135 5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.958 5.766 5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.967 7.028 6.266 1.00 0.00 H new ATOM 0 HE ARG A 27 2.843 6.126 8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.184 5.597 6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.644 4.739 8.457 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.458 5.031 9.938 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.106 4.422 10.121 1.00 0.00 H new ATOM 227 N VAL A 28 1.784 5.580 3.214 1.00 0.00 N ATOM 228 CA VAL A 28 0.516 4.870 3.018 1.00 0.00 C ATOM 229 C VAL A 28 0.059 4.262 4.359 1.00 0.00 C ATOM 230 O VAL A 28 0.790 4.293 5.356 1.00 0.00 O ATOM 231 CB VAL A 28 0.592 3.756 1.892 1.00 0.00 C ATOM 232 CG1 VAL A 28 1.185 4.314 0.573 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.352 2.492 2.366 1.00 0.00 C ATOM 0 H VAL A 28 2.552 4.972 3.497 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.216 5.598 2.669 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.434 3.450 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.221 3.521 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.559 5.128 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.193 4.686 0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.377 1.759 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.371 2.762 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.843 2.064 3.230 1.00 0.00 H new ATOM 243 N ARG A 29 -1.148 3.712 4.345 1.00 0.00 N ATOM 244 CA ARG A 29 -1.875 3.235 5.524 1.00 0.00 C ATOM 245 C ARG A 29 -2.672 1.987 5.079 1.00 0.00 C ATOM 246 O ARG A 29 -3.265 1.982 3.992 1.00 0.00 O ATOM 247 CB ARG A 29 -2.824 4.381 6.030 1.00 0.00 C ATOM 248 CG ARG A 29 -3.137 4.420 7.548 1.00 0.00 C ATOM 249 CD ARG A 29 -3.714 3.115 8.133 1.00 0.00 C ATOM 250 NE ARG A 29 -4.341 3.297 9.461 1.00 0.00 N ATOM 251 CZ ARG A 29 -3.722 3.687 10.594 1.00 0.00 C ATOM 252 NH1 ARG A 29 -2.428 3.973 10.624 1.00 0.00 N ATOM 253 NH2 ARG A 29 -4.420 3.780 11.709 1.00 0.00 N ATOM 0 H ARG A 29 -1.672 3.579 3.480 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.210 2.971 6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.379 5.336 5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.768 4.300 5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.221 4.667 8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.844 5.228 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.454 2.711 7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.916 2.377 8.214 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.341 3.109 9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.870 3.901 9.773 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.990 4.265 11.498 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.416 3.558 11.707 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.964 4.074 12.573 1.00 0.00 H new ATOM 267 N MET A 30 -2.672 0.943 5.911 1.00 0.00 N ATOM 268 CA MET A 30 -3.384 -0.310 5.627 1.00 0.00 C ATOM 269 C MET A 30 -4.856 -0.155 6.016 1.00 0.00 C ATOM 270 O MET A 30 -5.178 -0.036 7.206 1.00 0.00 O ATOM 271 CB MET A 30 -2.748 -1.494 6.396 1.00 0.00 C ATOM 272 CG MET A 30 -3.261 -2.899 6.001 1.00 0.00 C ATOM 273 SD MET A 30 -2.577 -3.544 4.438 1.00 0.00 S ATOM 274 CE MET A 30 -3.560 -2.753 3.160 1.00 0.00 C ATOM 0 H MET A 30 -2.178 0.940 6.803 1.00 0.00 H new ATOM 0 HA MET A 30 -3.309 -0.524 4.561 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.669 -1.465 6.245 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.924 -1.349 7.462 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.022 -3.598 6.803 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.348 -2.866 5.921 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.743 -3.461 2.351 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.512 -2.429 3.581 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.023 -1.888 2.771 1.00 0.00 H new ATOM 284 N LEU A 31 -5.735 -0.145 5.005 1.00 0.00 N ATOM 285 CA LEU A 31 -7.178 0.044 5.197 1.00 0.00 C ATOM 286 C LEU A 31 -7.848 -1.277 5.638 1.00 0.00 C ATOM 287 O LEU A 31 -8.727 -1.275 6.508 1.00 0.00 O ATOM 288 CB LEU A 31 -7.805 0.589 3.887 1.00 0.00 C ATOM 289 CG LEU A 31 -9.335 0.902 3.919 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.668 1.973 4.982 1.00 0.00 C ATOM 291 CD2 LEU A 31 -9.844 1.319 2.519 1.00 0.00 C ATOM 0 H LEU A 31 -5.464 -0.268 4.029 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.345 0.772 5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.277 1.502 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.623 -0.137 3.095 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.856 -0.012 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.740 2.168 4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.367 1.614 5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.131 2.893 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.912 1.531 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.312 2.211 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.668 0.509 1.812 1.00 0.00 H new ATOM 303 N ASP A 32 -7.391 -2.404 5.058 1.00 0.00 N ATOM 304 CA ASP A 32 -7.992 -3.739 5.292 1.00 0.00 C ATOM 305 C ASP A 32 -6.916 -4.746 5.731 1.00 0.00 C ATOM 306 O ASP A 32 -5.750 -4.604 5.368 1.00 0.00 O ATOM 307 CB ASP A 32 -8.689 -4.228 4.004 1.00 0.00 C ATOM 308 CG ASP A 32 -9.499 -5.521 4.192 1.00 0.00 C ATOM 309 OD1 ASP A 32 -10.666 -5.447 4.626 1.00 0.00 O ATOM 310 OD2 ASP A 32 -8.975 -6.616 3.912 1.00 0.00 O ATOM 0 H ASP A 32 -6.598 -2.419 4.416 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.730 -3.659 6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.353 -3.444 3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.936 -4.391 3.233 1.00 0.00 H new ATOM 315 N ASP A 33 -7.340 -5.787 6.474 1.00 0.00 N ATOM 316 CA ASP A 33 -6.428 -6.775 7.080 1.00 0.00 C ATOM 317 C ASP A 33 -5.848 -7.710 6.002 1.00 0.00 C ATOM 318 O ASP A 33 -6.579 -8.395 5.283 1.00 0.00 O ATOM 319 CB ASP A 33 -7.129 -7.585 8.212 1.00 0.00 C ATOM 320 CG ASP A 33 -8.346 -8.416 7.751 1.00 0.00 C ATOM 321 OD1 ASP A 33 -9.459 -7.864 7.670 1.00 0.00 O ATOM 322 OD2 ASP A 33 -8.197 -9.628 7.470 1.00 0.00 O ATOM 0 H ASP A 33 -8.325 -5.966 6.671 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.603 -6.230 7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.399 -8.255 8.666 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.452 -6.892 8.989 1.00 0.00 H new ATOM 327 N TYR A 34 -4.523 -7.687 5.881 1.00 0.00 N ATOM 328 CA TYR A 34 -3.761 -8.504 4.921 1.00 0.00 C ATOM 329 C TYR A 34 -3.099 -9.710 5.608 1.00 0.00 C ATOM 330 O TYR A 34 -3.158 -9.858 6.836 1.00 0.00 O ATOM 331 CB TYR A 34 -2.722 -7.620 4.148 1.00 0.00 C ATOM 332 CG TYR A 34 -3.189 -7.285 2.731 1.00 0.00 C ATOM 333 CD1 TYR A 34 -4.101 -6.252 2.497 1.00 0.00 C ATOM 334 CD2 TYR A 34 -2.759 -8.037 1.635 1.00 0.00 C ATOM 335 CE1 TYR A 34 -4.555 -5.980 1.226 1.00 0.00 C ATOM 336 CE2 TYR A 34 -3.218 -7.771 0.367 1.00 0.00 C ATOM 337 CZ TYR A 34 -4.112 -6.745 0.167 1.00 0.00 C ATOM 338 OH TYR A 34 -4.571 -6.487 -1.100 1.00 0.00 O ATOM 0 H TYR A 34 -3.930 -7.089 6.457 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.458 -8.909 4.188 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.552 -6.696 4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.767 -8.143 4.100 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.455 -5.658 3.326 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.054 -8.841 1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.253 -5.173 1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.878 -8.365 -0.469 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.161 -7.115 -1.731 1.00 0.00 H new ATOM 348 N GLU A 35 -2.506 -10.566 4.753 1.00 0.00 N ATOM 349 CA GLU A 35 -1.866 -11.858 5.109 1.00 0.00 C ATOM 350 C GLU A 35 -0.953 -11.735 6.349 1.00 0.00 C ATOM 351 O GLU A 35 -1.088 -12.484 7.322 1.00 0.00 O ATOM 352 CB GLU A 35 -1.018 -12.367 3.894 1.00 0.00 C ATOM 353 CG GLU A 35 -1.685 -12.209 2.506 1.00 0.00 C ATOM 354 CD GLU A 35 -3.030 -12.931 2.376 1.00 0.00 C ATOM 355 OE1 GLU A 35 -3.043 -14.180 2.338 1.00 0.00 O ATOM 356 OE2 GLU A 35 -4.080 -12.254 2.317 1.00 0.00 O ATOM 0 H GLU A 35 -2.455 -10.373 3.753 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.660 -12.565 5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.069 -11.831 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.788 -13.421 4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.833 -11.148 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.006 -12.588 1.742 1.00 0.00 H new ATOM 363 N GLU A 36 -0.044 -10.753 6.285 1.00 0.00 N ATOM 364 CA GLU A 36 0.964 -10.483 7.331 1.00 0.00 C ATOM 365 C GLU A 36 0.890 -9.025 7.822 1.00 0.00 C ATOM 366 O GLU A 36 1.518 -8.673 8.824 1.00 0.00 O ATOM 367 CB GLU A 36 2.379 -10.800 6.779 1.00 0.00 C ATOM 368 CG GLU A 36 2.652 -10.203 5.387 1.00 0.00 C ATOM 369 CD GLU A 36 4.071 -10.448 4.869 1.00 0.00 C ATOM 370 OE1 GLU A 36 4.549 -11.594 4.930 1.00 0.00 O ATOM 371 OE2 GLU A 36 4.710 -9.496 4.378 1.00 0.00 O ATOM 0 H GLU A 36 0.017 -10.111 5.495 1.00 0.00 H new ATOM 0 HA GLU A 36 0.755 -11.126 8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.125 -10.422 7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.506 -11.882 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.940 -10.624 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.470 -9.129 5.422 1.00 0.00 H new ATOM 378 N ILE A 37 0.134 -8.178 7.104 1.00 0.00 N ATOM 379 CA ILE A 37 -0.062 -6.765 7.472 1.00 0.00 C ATOM 380 C ILE A 37 -1.442 -6.623 8.119 1.00 0.00 C ATOM 381 O ILE A 37 -2.414 -7.149 7.596 1.00 0.00 O ATOM 382 CB ILE A 37 0.036 -5.788 6.229 1.00 0.00 C ATOM 383 CG1 ILE A 37 1.332 -6.043 5.384 1.00 0.00 C ATOM 384 CG2 ILE A 37 -0.040 -4.315 6.683 1.00 0.00 C ATOM 385 CD1 ILE A 37 1.184 -7.097 4.312 1.00 0.00 C ATOM 0 H ILE A 37 -0.358 -8.452 6.254 1.00 0.00 H new ATOM 0 HA ILE A 37 0.734 -6.484 8.161 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.818 -5.997 5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.635 -5.107 4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.137 -6.338 6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.029 -3.662 5.813 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.987 -4.140 7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.784 -4.101 7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.128 -7.208 3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.914 -8.048 4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.404 -6.797 3.612 1.00 0.00 H new ATOM 397 N SER A 38 -1.526 -5.945 9.264 1.00 0.00 N ATOM 398 CA SER A 38 -2.811 -5.685 9.938 1.00 0.00 C ATOM 399 C SER A 38 -3.360 -4.314 9.530 1.00 0.00 C ATOM 400 O SER A 38 -2.582 -3.395 9.245 1.00 0.00 O ATOM 401 CB SER A 38 -2.621 -5.762 11.462 1.00 0.00 C ATOM 402 OG SER A 38 -2.206 -7.062 11.844 1.00 0.00 O ATOM 0 H SER A 38 -0.717 -5.561 9.752 1.00 0.00 H new ATOM 0 HA SER A 38 -3.533 -6.443 9.635 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.880 -5.029 11.780 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.555 -5.509 11.964 1.00 0.00 H new ATOM 0 HG SER A 38 -2.088 -7.095 12.816 1.00 0.00 H new ATOM 408 N ALA A 39 -4.703 -4.188 9.494 1.00 0.00 N ATOM 409 CA ALA A 39 -5.377 -2.904 9.257 1.00 0.00 C ATOM 410 C ALA A 39 -5.029 -1.932 10.404 1.00 0.00 C ATOM 411 O ALA A 39 -5.373 -2.186 11.566 1.00 0.00 O ATOM 412 CB ALA A 39 -6.897 -3.111 9.141 1.00 0.00 C ATOM 0 H ALA A 39 -5.343 -4.971 9.628 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.032 -2.475 8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.383 -2.151 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.110 -3.783 8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.277 -3.546 10.066 1.00 0.00 H new ATOM 418 N GLY A 40 -4.327 -0.839 10.061 1.00 0.00 N ATOM 419 CA GLY A 40 -3.783 0.100 11.052 1.00 0.00 C ATOM 420 C GLY A 40 -2.264 0.252 10.941 1.00 0.00 C ATOM 421 O GLY A 40 -1.695 1.225 11.450 1.00 0.00 O ATOM 0 H GLY A 40 -4.122 -0.584 9.095 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.253 1.075 10.921 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.038 -0.245 12.054 1.00 0.00 H new ATOM 425 N ASP A 41 -1.604 -0.725 10.283 1.00 0.00 N ATOM 426 CA ASP A 41 -0.155 -0.657 9.970 1.00 0.00 C ATOM 427 C ASP A 41 0.074 0.316 8.811 1.00 0.00 C ATOM 428 O ASP A 41 -0.833 0.559 8.024 1.00 0.00 O ATOM 429 CB ASP A 41 0.406 -2.068 9.625 1.00 0.00 C ATOM 430 CG ASP A 41 1.924 -2.084 9.345 1.00 0.00 C ATOM 431 OD1 ASP A 41 2.671 -1.437 10.100 1.00 0.00 O ATOM 432 OD2 ASP A 41 2.381 -2.766 8.404 1.00 0.00 O ATOM 0 H ASP A 41 -2.055 -1.579 9.954 1.00 0.00 H new ATOM 0 HA ASP A 41 0.379 -0.295 10.849 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.191 -2.746 10.451 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.119 -2.454 8.751 1.00 0.00 H new ATOM 437 N GLU A 42 1.283 0.893 8.717 1.00 0.00 N ATOM 438 CA GLU A 42 1.608 1.889 7.684 1.00 0.00 C ATOM 439 C GLU A 42 2.867 1.491 6.909 1.00 0.00 C ATOM 440 O GLU A 42 3.730 0.752 7.407 1.00 0.00 O ATOM 441 CB GLU A 42 1.762 3.291 8.308 1.00 0.00 C ATOM 442 CG GLU A 42 0.497 3.802 9.023 1.00 0.00 C ATOM 443 CD GLU A 42 0.546 5.290 9.392 1.00 0.00 C ATOM 444 OE1 GLU A 42 1.561 5.741 9.964 1.00 0.00 O ATOM 445 OE2 GLU A 42 -0.429 6.016 9.105 1.00 0.00 O ATOM 0 H GLU A 42 2.056 0.685 9.349 1.00 0.00 H new ATOM 0 HA GLU A 42 0.780 1.922 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.587 3.271 9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.034 3.998 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.366 3.626 8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.344 3.218 9.931 1.00 0.00 H new ATOM 452 N GLY A 43 2.929 1.993 5.672 1.00 0.00 N ATOM 453 CA GLY A 43 3.994 1.685 4.730 1.00 0.00 C ATOM 454 C GLY A 43 4.460 2.915 3.988 1.00 0.00 C ATOM 455 O GLY A 43 4.084 4.035 4.337 1.00 0.00 O ATOM 0 H GLY A 43 2.228 2.633 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.835 1.242 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.643 0.941 4.015 1.00 0.00 H new ATOM 459 N GLU A 44 5.278 2.707 2.951 1.00 0.00 N ATOM 460 CA GLU A 44 5.701 3.778 2.040 1.00 0.00 C ATOM 461 C GLU A 44 5.644 3.257 0.602 1.00 0.00 C ATOM 462 O GLU A 44 5.923 2.076 0.362 1.00 0.00 O ATOM 463 CB GLU A 44 7.126 4.282 2.399 1.00 0.00 C ATOM 464 CG GLU A 44 7.586 5.511 1.584 1.00 0.00 C ATOM 465 CD GLU A 44 8.942 6.071 2.042 1.00 0.00 C ATOM 466 OE1 GLU A 44 9.987 5.585 1.560 1.00 0.00 O ATOM 467 OE2 GLU A 44 8.968 6.988 2.898 1.00 0.00 O ATOM 0 H GLU A 44 5.666 1.793 2.719 1.00 0.00 H new ATOM 0 HA GLU A 44 5.026 4.628 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.155 4.532 3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.836 3.470 2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.651 5.237 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.832 6.294 1.663 1.00 0.00 H new ATOM 474 N PHE A 45 5.268 4.136 -0.339 1.00 0.00 N ATOM 475 CA PHE A 45 5.217 3.816 -1.771 1.00 0.00 C ATOM 476 C PHE A 45 6.645 3.642 -2.303 1.00 0.00 C ATOM 477 O PHE A 45 7.474 4.546 -2.169 1.00 0.00 O ATOM 478 CB PHE A 45 4.473 4.937 -2.530 1.00 0.00 C ATOM 479 CG PHE A 45 4.256 4.668 -4.025 1.00 0.00 C ATOM 480 CD1 PHE A 45 5.229 4.992 -4.964 1.00 0.00 C ATOM 481 CD2 PHE A 45 3.068 4.114 -4.491 1.00 0.00 C ATOM 482 CE1 PHE A 45 5.029 4.779 -6.308 1.00 0.00 C ATOM 483 CE2 PHE A 45 2.863 3.906 -5.836 1.00 0.00 C ATOM 484 CZ PHE A 45 3.845 4.241 -6.744 1.00 0.00 C ATOM 0 H PHE A 45 4.990 5.094 -0.125 1.00 0.00 H new ATOM 0 HA PHE A 45 4.673 2.884 -1.925 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.503 5.093 -2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.034 5.865 -2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.163 5.420 -4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.295 3.843 -3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.802 5.035 -7.018 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.932 3.480 -6.180 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.682 4.080 -7.799 1.00 0.00 H new ATOM 494 N ARG A 46 6.940 2.461 -2.866 1.00 0.00 N ATOM 495 CA ARG A 46 8.283 2.143 -3.396 1.00 0.00 C ATOM 496 C ARG A 46 8.230 2.098 -4.933 1.00 0.00 C ATOM 497 O ARG A 46 9.116 2.616 -5.618 1.00 0.00 O ATOM 498 CB ARG A 46 8.796 0.789 -2.817 1.00 0.00 C ATOM 499 CG ARG A 46 8.535 0.560 -1.305 1.00 0.00 C ATOM 500 CD ARG A 46 9.000 1.722 -0.399 1.00 0.00 C ATOM 501 NE ARG A 46 10.450 1.981 -0.477 1.00 0.00 N ATOM 502 CZ ARG A 46 11.018 3.166 -0.765 1.00 0.00 C ATOM 503 NH1 ARG A 46 10.280 4.222 -1.103 1.00 0.00 N ATOM 504 NH2 ARG A 46 12.333 3.279 -0.721 1.00 0.00 N ATOM 0 H ARG A 46 6.265 1.703 -2.968 1.00 0.00 H new ATOM 0 HA ARG A 46 8.983 2.921 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.329 -0.023 -3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.869 0.722 -2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.468 0.400 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.042 -0.353 -0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.461 2.628 -0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.734 1.497 0.634 1.00 0.00 H new ATOM 0 HE ARG A 46 11.075 1.195 -0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.264 4.141 -1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.731 5.112 -1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.906 2.473 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.776 4.172 -0.937 1.00 0.00 H new ATOM 518 N GLN A 47 7.169 1.451 -5.442 1.00 0.00 N ATOM 519 CA GLN A 47 6.857 1.318 -6.884 1.00 0.00 C ATOM 520 C GLN A 47 5.448 0.712 -7.009 1.00 0.00 C ATOM 521 O GLN A 47 4.871 0.268 -6.004 1.00 0.00 O ATOM 522 CB GLN A 47 7.899 0.427 -7.652 1.00 0.00 C ATOM 523 CG GLN A 47 7.886 -1.089 -7.300 1.00 0.00 C ATOM 524 CD GLN A 47 8.330 -1.392 -5.865 1.00 0.00 C ATOM 525 OE1 GLN A 47 9.502 -1.654 -5.606 1.00 0.00 O ATOM 526 NE2 GLN A 47 7.400 -1.308 -4.920 1.00 0.00 N ATOM 0 H GLN A 47 6.480 0.990 -4.847 1.00 0.00 H new ATOM 0 HA GLN A 47 6.905 2.306 -7.342 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.721 0.533 -8.722 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.897 0.818 -7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.879 -1.479 -7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.539 -1.619 -7.993 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.436 -1.088 -5.171 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.650 -1.463 -3.943 1.00 0.00 H new ATOM 535 N SER A 48 4.915 0.649 -8.237 1.00 0.00 N ATOM 536 CA SER A 48 3.544 0.169 -8.479 1.00 0.00 C ATOM 537 C SER A 48 3.350 -0.333 -9.904 1.00 0.00 C ATOM 538 O SER A 48 4.270 -0.318 -10.730 1.00 0.00 O ATOM 539 CB SER A 48 2.547 1.304 -8.212 1.00 0.00 C ATOM 540 OG SER A 48 2.776 2.409 -9.069 1.00 0.00 O ATOM 0 H SER A 48 5.414 0.925 -9.083 1.00 0.00 H new ATOM 0 HA SER A 48 3.369 -0.667 -7.801 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.530 0.937 -8.353 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.629 1.625 -7.173 1.00 0.00 H new ATOM 0 HG SER A 48 2.124 3.114 -8.875 1.00 0.00 H new ATOM 546 N ASN A 49 2.113 -0.783 -10.162 1.00 0.00 N ATOM 547 CA ASN A 49 1.632 -1.156 -11.482 1.00 0.00 C ATOM 548 C ASN A 49 0.331 -0.367 -11.746 1.00 0.00 C ATOM 549 O ASN A 49 -0.591 -0.393 -10.917 1.00 0.00 O ATOM 550 CB ASN A 49 1.378 -2.678 -11.534 1.00 0.00 C ATOM 551 CG ASN A 49 2.609 -3.533 -11.205 1.00 0.00 C ATOM 552 OD1 ASN A 49 3.398 -3.868 -12.088 1.00 0.00 O ATOM 553 ND2 ASN A 49 2.771 -3.898 -9.935 1.00 0.00 N ATOM 0 H ASN A 49 1.409 -0.897 -9.433 1.00 0.00 H new ATOM 0 HA ASN A 49 2.369 -0.918 -12.249 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.580 -2.926 -10.834 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.022 -2.942 -12.530 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.569 -4.474 -9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.097 -3.602 -9.229 1.00 0.00 H new ATOM 560 N ASN A 50 0.277 0.352 -12.883 1.00 0.00 N ATOM 561 CA ASN A 50 -0.872 1.212 -13.244 1.00 0.00 C ATOM 562 C ASN A 50 -2.074 0.360 -13.674 1.00 0.00 C ATOM 563 O ASN A 50 -3.212 0.614 -13.266 1.00 0.00 O ATOM 564 CB ASN A 50 -0.488 2.194 -14.388 1.00 0.00 C ATOM 565 CG ASN A 50 0.721 3.090 -14.091 1.00 0.00 C ATOM 566 OD1 ASN A 50 1.476 3.444 -14.998 1.00 0.00 O ATOM 567 ND2 ASN A 50 0.911 3.486 -12.839 1.00 0.00 N ATOM 0 H ASN A 50 1.025 0.355 -13.577 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.147 1.790 -12.361 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.281 1.616 -15.289 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.347 2.828 -14.606 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.696 4.097 -12.611 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.273 3.180 -12.105 1.00 0.00 H new ATOM 574 N GLY A 51 -1.790 -0.654 -14.508 1.00 0.00 N ATOM 575 CA GLY A 51 -2.812 -1.558 -15.038 1.00 0.00 C ATOM 576 C GLY A 51 -3.082 -2.754 -14.134 1.00 0.00 C ATOM 577 O GLY A 51 -4.186 -3.310 -14.151 1.00 0.00 O ATOM 0 H GLY A 51 -0.846 -0.866 -14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.739 -1.003 -15.182 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.498 -1.915 -16.019 1.00 0.00 H new ATOM 581 N ILE A 52 -2.068 -3.163 -13.347 1.00 0.00 N ATOM 582 CA ILE A 52 -2.161 -4.350 -12.471 1.00 0.00 C ATOM 583 C ILE A 52 -2.438 -3.856 -11.024 1.00 0.00 C ATOM 584 O ILE A 52 -1.627 -3.104 -10.476 1.00 0.00 O ATOM 585 CB ILE A 52 -0.831 -5.206 -12.500 1.00 0.00 C ATOM 586 CG1 ILE A 52 -0.224 -5.315 -13.943 1.00 0.00 C ATOM 587 CG2 ILE A 52 -1.037 -6.612 -11.898 1.00 0.00 C ATOM 588 CD1 ILE A 52 -1.078 -6.053 -14.962 1.00 0.00 C ATOM 0 H ILE A 52 -1.168 -2.685 -13.299 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.966 -4.993 -12.826 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.115 -4.670 -11.877 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.035 -4.308 -14.315 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.742 -5.816 -13.874 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.099 -7.166 -11.938 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.360 -6.520 -10.861 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.797 -7.145 -12.469 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.565 -6.069 -15.923 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.247 -7.075 -14.623 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.036 -5.544 -15.071 1.00 0.00 H new ATOM 600 N PRO A 53 -3.596 -4.240 -10.395 1.00 0.00 N ATOM 601 CA PRO A 53 -4.019 -3.678 -9.080 1.00 0.00 C ATOM 602 C PRO A 53 -3.079 -3.874 -7.827 1.00 0.00 C ATOM 603 O PRO A 53 -3.138 -3.032 -6.921 1.00 0.00 O ATOM 604 CB PRO A 53 -5.426 -4.294 -8.846 1.00 0.00 C ATOM 605 CG PRO A 53 -5.487 -5.497 -9.743 1.00 0.00 C ATOM 606 CD PRO A 53 -4.623 -5.172 -10.943 1.00 0.00 C ATOM 0 HA PRO A 53 -3.987 -2.591 -9.156 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.564 -4.575 -7.802 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.213 -3.581 -9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.121 -6.385 -9.229 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.513 -5.705 -10.047 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.167 -6.069 -11.363 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.203 -4.706 -11.740 1.00 0.00 H new ATOM 614 N PRO A 54 -2.267 -4.968 -7.668 1.00 0.00 N ATOM 615 CA PRO A 54 -1.298 -5.042 -6.547 1.00 0.00 C ATOM 616 C PRO A 54 -0.105 -4.052 -6.697 1.00 0.00 C ATOM 617 O PRO A 54 0.735 -4.183 -7.600 1.00 0.00 O ATOM 618 CB PRO A 54 -0.843 -6.520 -6.564 1.00 0.00 C ATOM 619 CG PRO A 54 -1.044 -6.953 -7.982 1.00 0.00 C ATOM 620 CD PRO A 54 -2.288 -6.235 -8.433 1.00 0.00 C ATOM 0 HA PRO A 54 -1.745 -4.745 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.200 -6.619 -6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.433 -7.126 -5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.188 -6.687 -8.602 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.164 -8.034 -8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.276 -6.053 -9.508 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.185 -6.816 -8.218 1.00 0.00 H new ATOM 628 N VAL A 55 -0.096 -3.029 -5.829 1.00 0.00 N ATOM 629 CA VAL A 55 1.061 -2.130 -5.610 1.00 0.00 C ATOM 630 C VAL A 55 1.960 -2.698 -4.497 1.00 0.00 C ATOM 631 O VAL A 55 1.467 -3.215 -3.492 1.00 0.00 O ATOM 632 CB VAL A 55 0.608 -0.663 -5.234 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.457 -0.669 -4.115 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.815 0.240 -4.831 1.00 0.00 C ATOM 0 H VAL A 55 -0.901 -2.795 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 55 1.617 -2.075 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 55 0.161 -0.237 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.745 0.356 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.333 -1.225 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.045 -1.142 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.455 1.238 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.319 -0.191 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.515 0.305 -5.664 1.00 0.00 H new ATOM 644 N GLN A 56 3.282 -2.604 -4.695 1.00 0.00 N ATOM 645 CA GLN A 56 4.270 -3.033 -3.702 1.00 0.00 C ATOM 646 C GLN A 56 4.634 -1.818 -2.807 1.00 0.00 C ATOM 647 O GLN A 56 5.094 -0.778 -3.305 1.00 0.00 O ATOM 648 CB GLN A 56 5.539 -3.613 -4.387 1.00 0.00 C ATOM 649 CG GLN A 56 5.366 -4.873 -5.260 1.00 0.00 C ATOM 650 CD GLN A 56 4.439 -4.711 -6.473 1.00 0.00 C ATOM 651 OE1 GLN A 56 4.864 -4.284 -7.545 1.00 0.00 O ATOM 652 NE2 GLN A 56 3.170 -5.070 -6.314 1.00 0.00 N ATOM 0 H GLN A 56 3.694 -2.228 -5.549 1.00 0.00 H new ATOM 0 HA GLN A 56 3.844 -3.827 -3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.973 -2.830 -5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.267 -3.841 -3.608 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.348 -5.187 -5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.980 -5.678 -4.634 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.848 -5.421 -5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.517 -4.995 -7.094 1.00 0.00 H new ATOM 661 N VAL A 57 4.423 -1.971 -1.492 1.00 0.00 N ATOM 662 CA VAL A 57 4.655 -0.916 -0.473 1.00 0.00 C ATOM 663 C VAL A 57 5.372 -1.538 0.727 1.00 0.00 C ATOM 664 O VAL A 57 5.019 -2.638 1.146 1.00 0.00 O ATOM 665 CB VAL A 57 3.299 -0.228 0.003 1.00 0.00 C ATOM 666 CG1 VAL A 57 3.011 1.066 -0.779 1.00 0.00 C ATOM 667 CG2 VAL A 57 2.105 -1.201 -0.112 1.00 0.00 C ATOM 0 H VAL A 57 4.080 -2.844 -1.091 1.00 0.00 H new ATOM 0 HA VAL A 57 5.268 -0.136 -0.925 1.00 0.00 H new ATOM 0 HB VAL A 57 3.429 0.035 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.078 1.505 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.826 1.773 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.924 0.838 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.195 -0.701 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.989 -1.514 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.287 -2.076 0.512 1.00 0.00 H new ATOM 677 N PHE A 58 6.394 -0.840 1.252 1.00 0.00 N ATOM 678 CA PHE A 58 7.222 -1.348 2.359 1.00 0.00 C ATOM 679 C PHE A 58 6.508 -1.095 3.694 1.00 0.00 C ATOM 680 O PHE A 58 6.463 0.041 4.166 1.00 0.00 O ATOM 681 CB PHE A 58 8.616 -0.664 2.326 1.00 0.00 C ATOM 682 CG PHE A 58 9.625 -1.185 3.352 1.00 0.00 C ATOM 683 CD1 PHE A 58 10.476 -2.246 3.045 1.00 0.00 C ATOM 684 CD2 PHE A 58 9.730 -0.604 4.620 1.00 0.00 C ATOM 685 CE1 PHE A 58 11.394 -2.708 3.969 1.00 0.00 C ATOM 686 CE2 PHE A 58 10.647 -1.068 5.539 1.00 0.00 C ATOM 687 CZ PHE A 58 11.480 -2.119 5.214 1.00 0.00 C ATOM 0 H PHE A 58 6.668 0.086 0.923 1.00 0.00 H new ATOM 0 HA PHE A 58 7.369 -2.423 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.040 -0.788 1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.481 0.406 2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.417 -2.713 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.083 0.220 4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.045 -3.532 3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.713 -0.609 6.514 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.199 -2.481 5.934 1.00 0.00 H new ATOM 697 N TRP A 59 5.975 -2.168 4.288 1.00 0.00 N ATOM 698 CA TRP A 59 5.227 -2.132 5.555 1.00 0.00 C ATOM 699 C TRP A 59 6.182 -2.331 6.737 1.00 0.00 C ATOM 700 O TRP A 59 6.987 -3.272 6.731 1.00 0.00 O ATOM 701 CB TRP A 59 4.141 -3.223 5.549 1.00 0.00 C ATOM 702 CG TRP A 59 3.147 -3.067 4.431 1.00 0.00 C ATOM 703 CD1 TRP A 59 3.131 -3.724 3.234 1.00 0.00 C ATOM 704 CD2 TRP A 59 2.030 -2.178 4.414 1.00 0.00 C ATOM 705 NE1 TRP A 59 2.075 -3.299 2.480 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.381 -2.345 3.185 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.524 -1.254 5.324 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.240 -1.621 2.847 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.400 -0.539 4.992 1.00 0.00 C ATOM 710 CH2 TRP A 59 -0.232 -0.719 3.759 1.00 0.00 C ATOM 0 H TRP A 59 6.052 -3.106 3.896 1.00 0.00 H new ATOM 0 HA TRP A 59 4.747 -1.159 5.660 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.618 -4.200 5.468 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.612 -3.204 6.502 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.849 -4.471 2.928 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.840 -3.635 1.546 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.009 -1.102 6.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.254 -1.767 1.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.002 0.175 5.696 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.109 -0.135 3.522 1.00 0.00 H new ATOM 721 N GLN A 60 6.073 -1.447 7.741 1.00 0.00 N ATOM 722 CA GLN A 60 6.999 -1.402 8.887 1.00 0.00 C ATOM 723 C GLN A 60 6.845 -2.627 9.830 1.00 0.00 C ATOM 724 O GLN A 60 7.851 -3.138 10.335 1.00 0.00 O ATOM 725 CB GLN A 60 6.820 -0.072 9.675 1.00 0.00 C ATOM 726 CG GLN A 60 5.417 0.129 10.268 1.00 0.00 C ATOM 727 CD GLN A 60 5.277 1.382 11.120 1.00 0.00 C ATOM 728 OE1 GLN A 60 4.906 2.445 10.635 1.00 0.00 O ATOM 729 NE2 GLN A 60 5.603 1.265 12.394 1.00 0.00 N ATOM 0 H GLN A 60 5.338 -0.741 7.782 1.00 0.00 H new ATOM 0 HA GLN A 60 8.011 -1.445 8.484 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.551 -0.041 10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.044 0.763 9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.693 0.173 9.454 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.162 -0.740 10.874 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.907 0.364 12.762 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.550 2.076 13.010 1.00 0.00 H new ATOM 738 N SER A 61 5.588 -3.102 10.049 1.00 0.00 N ATOM 739 CA SER A 61 5.304 -4.185 11.027 1.00 0.00 C ATOM 740 C SER A 61 5.859 -5.540 10.552 1.00 0.00 C ATOM 741 O SER A 61 6.435 -6.297 11.344 1.00 0.00 O ATOM 742 CB SER A 61 3.789 -4.302 11.300 1.00 0.00 C ATOM 743 OG SER A 61 3.507 -5.202 12.361 1.00 0.00 O ATOM 0 H SER A 61 4.761 -2.753 9.564 1.00 0.00 H new ATOM 0 HA SER A 61 5.809 -3.918 11.955 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.388 -3.318 11.543 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.283 -4.638 10.395 1.00 0.00 H new ATOM 0 HG SER A 61 2.538 -5.247 12.503 1.00 0.00 H new ATOM 749 N THR A 62 5.668 -5.842 9.259 1.00 0.00 N ATOM 750 CA THR A 62 6.188 -7.077 8.648 1.00 0.00 C ATOM 751 C THR A 62 7.648 -6.879 8.163 1.00 0.00 C ATOM 752 O THR A 62 8.364 -7.858 7.906 1.00 0.00 O ATOM 753 CB THR A 62 5.266 -7.563 7.485 1.00 0.00 C ATOM 754 OG1 THR A 62 5.742 -8.819 6.994 1.00 0.00 O ATOM 755 CG2 THR A 62 5.181 -6.552 6.329 1.00 0.00 C ATOM 0 H THR A 62 5.154 -5.244 8.612 1.00 0.00 H new ATOM 0 HA THR A 62 6.191 -7.855 9.411 1.00 0.00 H new ATOM 0 HB THR A 62 4.260 -7.668 7.891 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.712 -8.874 7.123 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.527 -6.944 5.550 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.780 -5.609 6.699 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.176 -6.386 5.917 1.00 0.00 H new ATOM 763 N GLY A 63 8.070 -5.600 8.033 1.00 0.00 N ATOM 764 CA GLY A 63 9.466 -5.248 7.740 1.00 0.00 C ATOM 765 C GLY A 63 9.867 -5.412 6.278 1.00 0.00 C ATOM 766 O GLY A 63 11.066 -5.472 5.971 1.00 0.00 O ATOM 0 H GLY A 63 7.453 -4.794 8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.636 -4.213 8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.120 -5.867 8.354 1.00 0.00 H new ATOM 770 N ARG A 64 8.875 -5.478 5.373 1.00 0.00 N ATOM 771 CA ARG A 64 9.116 -5.803 3.952 1.00 0.00 C ATOM 772 C ARG A 64 8.054 -5.197 3.036 1.00 0.00 C ATOM 773 O ARG A 64 6.984 -4.776 3.487 1.00 0.00 O ATOM 774 CB ARG A 64 9.174 -7.342 3.780 1.00 0.00 C ATOM 775 CG ARG A 64 7.877 -8.061 4.209 1.00 0.00 C ATOM 776 CD ARG A 64 8.006 -9.585 4.180 1.00 0.00 C ATOM 777 NE ARG A 64 8.288 -10.090 2.819 1.00 0.00 N ATOM 778 CZ ARG A 64 7.482 -10.875 2.084 1.00 0.00 C ATOM 779 NH1 ARG A 64 6.299 -11.268 2.536 1.00 0.00 N ATOM 780 NH2 ARG A 64 7.868 -11.255 0.881 1.00 0.00 N ATOM 0 H ARG A 64 7.895 -5.310 5.599 1.00 0.00 H new ATOM 0 HA ARG A 64 10.071 -5.365 3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.380 -7.575 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.007 -7.733 4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.607 -7.743 5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.064 -7.757 3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.804 -9.894 4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.084 -10.034 4.550 1.00 0.00 H new ATOM 0 HE ARG A 64 9.177 -9.817 2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.983 -10.974 3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.705 -11.864 1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.771 -10.953 0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.263 -11.851 0.316 1.00 0.00 H new ATOM 794 N THR A 65 8.365 -5.213 1.735 1.00 0.00 N ATOM 795 CA THR A 65 7.503 -4.701 0.681 1.00 0.00 C ATOM 796 C THR A 65 6.517 -5.806 0.265 1.00 0.00 C ATOM 797 O THR A 65 6.931 -6.948 0.033 1.00 0.00 O ATOM 798 CB THR A 65 8.385 -4.249 -0.540 1.00 0.00 C ATOM 799 OG1 THR A 65 9.631 -3.701 -0.070 1.00 0.00 O ATOM 800 CG2 THR A 65 7.700 -3.185 -1.375 1.00 0.00 C ATOM 0 H THR A 65 9.245 -5.592 1.385 1.00 0.00 H new ATOM 0 HA THR A 65 6.939 -3.839 1.036 1.00 0.00 H new ATOM 0 HB THR A 65 8.549 -5.134 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.176 -3.423 -0.836 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.346 -2.903 -2.207 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.759 -3.576 -1.762 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.502 -2.309 -0.757 1.00 0.00 H new ATOM 808 N TYR A 66 5.215 -5.477 0.195 1.00 0.00 N ATOM 809 CA TYR A 66 4.163 -6.476 -0.057 1.00 0.00 C ATOM 810 C TYR A 66 3.135 -5.939 -1.061 1.00 0.00 C ATOM 811 O TYR A 66 2.869 -4.729 -1.114 1.00 0.00 O ATOM 812 CB TYR A 66 3.468 -6.874 1.277 1.00 0.00 C ATOM 813 CG TYR A 66 2.841 -8.281 1.266 1.00 0.00 C ATOM 814 CD1 TYR A 66 3.652 -9.406 1.419 1.00 0.00 C ATOM 815 CD2 TYR A 66 1.462 -8.491 1.115 1.00 0.00 C ATOM 816 CE1 TYR A 66 3.125 -10.676 1.422 1.00 0.00 C ATOM 817 CE2 TYR A 66 0.934 -9.769 1.121 1.00 0.00 C ATOM 818 CZ TYR A 66 1.771 -10.855 1.274 1.00 0.00 C ATOM 819 OH TYR A 66 1.256 -12.127 1.265 1.00 0.00 O ATOM 0 H TYR A 66 4.866 -4.525 0.310 1.00 0.00 H new ATOM 0 HA TYR A 66 4.626 -7.364 -0.487 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.198 -6.820 2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.691 -6.144 1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.718 -9.276 1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.804 -7.643 0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.774 -11.531 1.540 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.130 -9.916 1.006 1.00 0.00 H new ATOM 0 HH TYR A 66 1.817 -12.711 1.817 1.00 0.00 H new ATOM 829 N TRP A 67 2.565 -6.873 -1.835 1.00 0.00 N ATOM 830 CA TRP A 67 1.537 -6.599 -2.848 1.00 0.00 C ATOM 831 C TRP A 67 0.181 -6.370 -2.150 1.00 0.00 C ATOM 832 O TRP A 67 -0.340 -7.281 -1.505 1.00 0.00 O ATOM 833 CB TRP A 67 1.440 -7.805 -3.842 1.00 0.00 C ATOM 834 CG TRP A 67 2.672 -8.054 -4.703 1.00 0.00 C ATOM 835 CD1 TRP A 67 3.984 -7.902 -4.345 1.00 0.00 C ATOM 836 CD2 TRP A 67 2.701 -8.535 -6.062 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.807 -8.212 -5.392 1.00 0.00 N ATOM 838 CE2 TRP A 67 4.049 -8.606 -6.455 1.00 0.00 C ATOM 839 CE3 TRP A 67 1.720 -8.899 -6.983 1.00 0.00 C ATOM 840 CZ2 TRP A 67 4.438 -9.021 -7.726 1.00 0.00 C ATOM 841 CZ3 TRP A 67 2.100 -9.313 -8.245 1.00 0.00 C ATOM 842 CH2 TRP A 67 3.452 -9.370 -8.608 1.00 0.00 C ATOM 0 H TRP A 67 2.811 -7.861 -1.773 1.00 0.00 H new ATOM 0 HA TRP A 67 1.804 -5.704 -3.410 1.00 0.00 H new ATOM 0 HB2 TRP A 67 1.232 -8.708 -3.269 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.587 -7.641 -4.500 1.00 0.00 H new ATOM 0 HD1 TRP A 67 4.322 -7.582 -3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 67 5.825 -8.157 -5.380 1.00 0.00 H new ATOM 0 HE3 TRP A 67 0.675 -8.858 -6.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 5.480 -9.066 -8.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.344 -9.597 -8.962 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.721 -9.695 -9.602 1.00 0.00 H new ATOM 853 N VAL A 68 -0.357 -5.139 -2.237 1.00 0.00 N ATOM 854 CA VAL A 68 -1.699 -4.803 -1.707 1.00 0.00 C ATOM 855 C VAL A 68 -2.545 -4.154 -2.814 1.00 0.00 C ATOM 856 O VAL A 68 -2.008 -3.587 -3.765 1.00 0.00 O ATOM 857 CB VAL A 68 -1.647 -3.861 -0.435 1.00 0.00 C ATOM 858 CG1 VAL A 68 -0.776 -4.474 0.695 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.178 -2.434 -0.798 1.00 0.00 C ATOM 0 H VAL A 68 0.121 -4.351 -2.674 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.158 -5.737 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.665 -3.780 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.764 -3.800 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.194 -5.435 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.242 -4.618 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.156 -1.819 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.179 -2.479 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.868 -1.997 -1.520 1.00 0.00 H new ATOM 869 N HIS A 69 -3.869 -4.239 -2.667 1.00 0.00 N ATOM 870 CA HIS A 69 -4.832 -3.737 -3.660 1.00 0.00 C ATOM 871 C HIS A 69 -5.093 -2.242 -3.392 1.00 0.00 C ATOM 872 O HIS A 69 -5.122 -1.824 -2.227 1.00 0.00 O ATOM 873 CB HIS A 69 -6.137 -4.578 -3.549 1.00 0.00 C ATOM 874 CG HIS A 69 -7.100 -4.434 -4.697 1.00 0.00 C ATOM 875 ND1 HIS A 69 -7.092 -5.275 -5.786 1.00 0.00 N ATOM 876 CD2 HIS A 69 -8.117 -3.576 -4.905 1.00 0.00 C ATOM 877 CE1 HIS A 69 -8.060 -4.933 -6.611 1.00 0.00 C ATOM 878 NE2 HIS A 69 -8.700 -3.907 -6.101 1.00 0.00 N ATOM 0 H HIS A 69 -4.310 -4.661 -1.850 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.443 -3.835 -4.673 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -5.864 -5.629 -3.456 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.651 -4.299 -2.629 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.419 -2.773 -4.249 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.289 -5.416 -7.550 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.499 -3.434 -6.524 1.00 0.00 H new ATOM 887 N TRP A 70 -5.319 -1.461 -4.470 1.00 0.00 N ATOM 888 CA TRP A 70 -5.483 0.013 -4.387 1.00 0.00 C ATOM 889 C TRP A 70 -6.723 0.405 -3.556 1.00 0.00 C ATOM 890 O TRP A 70 -6.672 1.327 -2.740 1.00 0.00 O ATOM 891 CB TRP A 70 -5.602 0.635 -5.797 1.00 0.00 C ATOM 892 CG TRP A 70 -4.386 0.489 -6.673 1.00 0.00 C ATOM 893 CD1 TRP A 70 -4.225 -0.380 -7.703 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.180 1.261 -6.609 1.00 0.00 C ATOM 895 NE1 TRP A 70 -2.990 -0.223 -8.273 1.00 0.00 N ATOM 896 CE2 TRP A 70 -2.331 0.786 -7.624 1.00 0.00 C ATOM 897 CE3 TRP A 70 -2.734 2.302 -5.784 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.072 1.322 -7.846 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.479 2.831 -6.006 1.00 0.00 C ATOM 900 CH2 TRP A 70 -0.662 2.342 -7.028 1.00 0.00 C ATOM 0 H TRP A 70 -5.393 -1.828 -5.419 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.593 0.401 -3.891 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.452 0.180 -6.306 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.826 1.696 -5.690 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -4.967 -1.095 -8.027 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -2.622 -0.768 -9.053 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.360 2.683 -4.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.437 0.949 -8.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.123 3.636 -5.380 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.315 2.778 -7.177 1.00 0.00 H new ATOM 911 N HIS A 71 -7.835 -0.317 -3.780 1.00 0.00 N ATOM 912 CA HIS A 71 -9.125 -0.066 -3.097 1.00 0.00 C ATOM 913 C HIS A 71 -9.057 -0.406 -1.579 1.00 0.00 C ATOM 914 O HIS A 71 -9.937 -0.007 -0.808 1.00 0.00 O ATOM 915 CB HIS A 71 -10.246 -0.863 -3.816 1.00 0.00 C ATOM 916 CG HIS A 71 -11.639 -0.589 -3.315 1.00 0.00 C ATOM 917 ND1 HIS A 71 -12.250 -1.334 -2.332 1.00 0.00 N ATOM 918 CD2 HIS A 71 -12.531 0.362 -3.663 1.00 0.00 C ATOM 919 CE1 HIS A 71 -13.451 -0.847 -2.099 1.00 0.00 C ATOM 920 NE2 HIS A 71 -13.647 0.180 -2.894 1.00 0.00 N ATOM 0 H HIS A 71 -7.869 -1.094 -4.440 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.352 0.998 -3.157 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.207 -0.636 -4.881 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.040 -1.928 -3.710 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -12.389 1.127 -4.412 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -14.157 -1.228 -1.376 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -14.493 0.749 -2.932 1.00 0.00 H new ATOM 929 N MET A 72 -8.002 -1.136 -1.161 1.00 0.00 N ATOM 930 CA MET A 72 -7.728 -1.433 0.268 1.00 0.00 C ATOM 931 C MET A 72 -6.442 -0.732 0.739 1.00 0.00 C ATOM 932 O MET A 72 -5.897 -1.068 1.799 1.00 0.00 O ATOM 933 CB MET A 72 -7.642 -2.967 0.494 1.00 0.00 C ATOM 934 CG MET A 72 -8.985 -3.690 0.345 1.00 0.00 C ATOM 935 SD MET A 72 -8.889 -5.464 0.675 1.00 0.00 S ATOM 936 CE MET A 72 -7.766 -6.034 -0.594 1.00 0.00 C ATOM 0 H MET A 72 -7.315 -1.537 -1.800 1.00 0.00 H new ATOM 0 HA MET A 72 -8.554 -1.045 0.865 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.931 -3.390 -0.216 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.247 -3.156 1.492 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.708 -3.240 1.026 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.361 -3.536 -0.666 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.625 -7.111 -0.498 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.182 -5.809 -1.576 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.806 -5.531 -0.483 1.00 0.00 H new ATOM 946 N LEU A 73 -5.983 0.269 -0.029 1.00 0.00 N ATOM 947 CA LEU A 73 -4.811 1.080 0.320 1.00 0.00 C ATOM 948 C LEU A 73 -5.253 2.530 0.569 1.00 0.00 C ATOM 949 O LEU A 73 -5.825 3.173 -0.315 1.00 0.00 O ATOM 950 CB LEU A 73 -3.734 1.033 -0.800 1.00 0.00 C ATOM 951 CG LEU A 73 -2.382 1.743 -0.450 1.00 0.00 C ATOM 952 CD1 LEU A 73 -1.680 1.036 0.730 1.00 0.00 C ATOM 953 CD2 LEU A 73 -1.451 1.854 -1.680 1.00 0.00 C ATOM 0 H LEU A 73 -6.417 0.538 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.363 0.670 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.527 -0.010 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.146 1.492 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.617 2.762 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.744 1.547 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.327 1.062 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.473 -0.000 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.525 2.353 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.224 0.856 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.946 2.432 -2.460 1.00 0.00 H new ATOM 965 N GLU A 74 -4.960 3.026 1.771 1.00 0.00 N ATOM 966 CA GLU A 74 -5.230 4.410 2.187 1.00 0.00 C ATOM 967 C GLU A 74 -3.904 5.178 2.199 1.00 0.00 C ATOM 968 O GLU A 74 -2.858 4.580 2.424 1.00 0.00 O ATOM 969 CB GLU A 74 -5.894 4.395 3.602 1.00 0.00 C ATOM 970 CG GLU A 74 -6.153 5.777 4.253 1.00 0.00 C ATOM 971 CD GLU A 74 -7.133 6.665 3.464 1.00 0.00 C ATOM 972 OE1 GLU A 74 -8.362 6.504 3.622 1.00 0.00 O ATOM 973 OE2 GLU A 74 -6.684 7.524 2.676 1.00 0.00 O ATOM 0 H GLU A 74 -4.519 2.468 2.502 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.914 4.903 1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.845 3.868 3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.259 3.815 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.544 5.626 5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.204 6.303 4.356 1.00 0.00 H new ATOM 980 N ILE A 75 -3.930 6.482 1.887 1.00 0.00 N ATOM 981 CA ILE A 75 -2.740 7.349 2.010 1.00 0.00 C ATOM 982 C ILE A 75 -2.949 8.382 3.127 1.00 0.00 C ATOM 983 O ILE A 75 -3.831 9.245 3.049 1.00 0.00 O ATOM 984 CB ILE A 75 -2.345 8.037 0.645 1.00 0.00 C ATOM 985 CG1 ILE A 75 -3.582 8.680 -0.067 1.00 0.00 C ATOM 986 CG2 ILE A 75 -1.628 7.024 -0.274 1.00 0.00 C ATOM 987 CD1 ILE A 75 -3.278 9.363 -1.394 1.00 0.00 C ATOM 0 H ILE A 75 -4.762 6.964 1.547 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.897 6.713 2.279 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.656 8.852 0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.328 7.904 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.030 9.411 0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.360 7.510 -1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.725 6.662 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.292 6.184 -0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.197 9.777 -1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.558 10.166 -1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.861 8.636 -2.090 1.00 0.00 H new ATOM 999 N LEU A 76 -2.118 8.276 4.168 1.00 0.00 N ATOM 1000 CA LEU A 76 -2.140 9.161 5.333 1.00 0.00 C ATOM 1001 C LEU A 76 -0.694 9.521 5.677 1.00 0.00 C ATOM 1002 O LEU A 76 0.030 8.697 6.242 1.00 0.00 O ATOM 1003 CB LEU A 76 -2.837 8.454 6.532 1.00 0.00 C ATOM 1004 CG LEU A 76 -2.918 9.278 7.862 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -3.808 10.532 7.705 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -3.380 8.396 9.045 1.00 0.00 C ATOM 0 H LEU A 76 -1.397 7.557 4.224 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.704 10.067 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.850 8.186 6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.309 7.523 6.736 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.911 9.627 8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.839 11.077 8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.396 11.176 6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.818 10.229 7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.425 8.999 9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.368 7.988 8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.673 7.579 9.187 1.00 0.00 H new ATOM 1018 N GLY A 77 -0.265 10.731 5.288 1.00 0.00 N ATOM 1019 CA GLY A 77 1.107 11.179 5.524 1.00 0.00 C ATOM 1020 C GLY A 77 1.453 12.438 4.735 1.00 0.00 C ATOM 1021 O GLY A 77 0.557 13.244 4.452 1.00 0.00 O ATOM 0 H GLY A 77 -0.852 11.414 4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.245 11.371 6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.798 10.382 5.252 1.00 0.00 H new TER 1025 GLY A 77