USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 553 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 Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00853 X(o=-0.0085,f=0) USER MOD Single : A 28 SER OG : rot -44:sc= 1.14 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.2!) USER MOD Single : A 45 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.4!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -97:sc= 0.993 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 86:sc= 1.2 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -4.831 -15.075 23.479 1.00 0.00 N ATOM 19 CA SER A 2 -5.987 -15.832 23.029 1.00 0.00 C ATOM 20 C SER A 2 -5.763 -16.329 21.599 1.00 0.00 C ATOM 21 O SER A 2 -4.694 -16.123 21.027 1.00 0.00 O ATOM 22 CB SER A 2 -7.261 -14.989 23.105 1.00 0.00 C ATOM 23 OG SER A 2 -8.314 -15.673 23.779 1.00 0.00 O ATOM 0 HA SER A 2 -6.112 -16.690 23.689 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.047 -14.054 23.622 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.584 -14.729 22.097 1.00 0.00 H new ATOM 0 HG SER A 2 -9.109 -15.101 23.808 1.00 0.00 H new ATOM 29 N LEU A 3 -6.790 -16.973 21.063 1.00 0.00 N ATOM 30 CA LEU A 3 -6.718 -17.500 19.711 1.00 0.00 C ATOM 31 C LEU A 3 -7.663 -16.705 18.808 1.00 0.00 C ATOM 32 O LEU A 3 -7.386 -16.519 17.624 1.00 0.00 O ATOM 33 CB LEU A 3 -6.988 -19.006 19.708 1.00 0.00 C ATOM 34 CG LEU A 3 -8.160 -19.479 20.570 1.00 0.00 C ATOM 35 CD1 LEU A 3 -9.059 -20.442 19.792 1.00 0.00 C ATOM 36 CD2 LEU A 3 -7.665 -20.092 21.882 1.00 0.00 C ATOM 0 H LEU A 3 -7.676 -17.141 21.540 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.713 -17.379 19.308 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.169 -19.321 18.680 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.086 -19.517 20.044 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.765 -18.610 20.829 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.884 -20.763 20.428 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.455 -19.938 18.910 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.479 -21.312 19.483 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.519 -20.420 22.475 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.024 -20.947 21.665 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.099 -19.347 22.441 1.00 0.00 H new ATOM 48 N GLY A 4 -8.760 -16.257 19.401 1.00 0.00 N ATOM 49 CA GLY A 4 -9.748 -15.486 18.665 1.00 0.00 C ATOM 50 C GLY A 4 -9.162 -14.153 18.194 1.00 0.00 C ATOM 51 O GLY A 4 -9.271 -13.803 17.020 1.00 0.00 O ATOM 0 H GLY A 4 -8.987 -16.413 20.383 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.095 -16.059 17.805 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.617 -15.303 19.298 1.00 0.00 H new ATOM 55 N VAL A 5 -8.555 -13.445 19.135 1.00 0.00 N ATOM 56 CA VAL A 5 -7.953 -12.158 18.832 1.00 0.00 C ATOM 57 C VAL A 5 -6.876 -12.343 17.761 1.00 0.00 C ATOM 58 O VAL A 5 -6.597 -11.425 16.991 1.00 0.00 O ATOM 59 CB VAL A 5 -7.418 -11.515 20.113 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.278 -12.345 20.707 1.00 0.00 C ATOM 61 CG2 VAL A 5 -6.973 -10.074 19.859 1.00 0.00 C ATOM 0 H VAL A 5 -8.467 -13.738 20.108 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.699 -11.473 18.428 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.229 -11.491 20.840 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.915 -11.867 21.617 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.641 -13.345 20.943 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.465 -12.415 19.985 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.597 -9.641 20.786 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.184 -10.064 19.107 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.821 -9.489 19.502 1.00 0.00 H new ATOM 71 N LEU A 6 -6.301 -13.537 17.746 1.00 0.00 N ATOM 72 CA LEU A 6 -5.261 -13.854 16.782 1.00 0.00 C ATOM 73 C LEU A 6 -5.853 -13.823 15.371 1.00 0.00 C ATOM 74 O LEU A 6 -5.323 -13.153 14.486 1.00 0.00 O ATOM 75 CB LEU A 6 -4.588 -15.181 17.138 1.00 0.00 C ATOM 76 CG LEU A 6 -3.377 -15.568 16.287 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.811 -16.921 16.722 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.723 -15.545 14.797 1.00 0.00 C ATOM 0 H LEU A 6 -6.536 -14.296 18.386 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.471 -13.104 16.813 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.275 -15.139 18.181 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.331 -15.975 17.060 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.596 -14.825 16.448 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.951 -17.172 16.101 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.502 -16.867 17.766 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.577 -17.689 16.610 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.845 -15.824 14.215 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.529 -16.252 14.600 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.043 -14.542 14.513 1.00 0.00 H new ATOM 90 N ALA A 7 -6.944 -14.557 15.205 1.00 0.00 N ATOM 91 CA ALA A 7 -7.613 -14.622 13.917 1.00 0.00 C ATOM 92 C ALA A 7 -7.979 -13.207 13.466 1.00 0.00 C ATOM 93 O ALA A 7 -8.007 -12.921 12.270 1.00 0.00 O ATOM 94 CB ALA A 7 -8.836 -15.535 14.023 1.00 0.00 C ATOM 0 H ALA A 7 -7.381 -15.112 15.941 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.952 -15.048 13.162 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.338 -15.584 13.057 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.519 -16.535 14.318 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.523 -15.137 14.769 1.00 0.00 H new ATOM 100 N ALA A 8 -8.251 -12.359 14.447 1.00 0.00 N ATOM 101 CA ALA A 8 -8.615 -10.980 14.165 1.00 0.00 C ATOM 102 C ALA A 8 -7.393 -10.236 13.624 1.00 0.00 C ATOM 103 O ALA A 8 -7.528 -9.315 12.820 1.00 0.00 O ATOM 104 CB ALA A 8 -9.179 -10.332 15.431 1.00 0.00 C ATOM 0 H ALA A 8 -8.227 -12.600 15.438 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.392 -10.936 13.402 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.452 -9.298 15.220 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.062 -10.881 15.758 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.425 -10.355 16.218 1.00 0.00 H new ATOM 110 N ALA A 9 -6.227 -10.662 14.087 1.00 0.00 N ATOM 111 CA ALA A 9 -4.982 -10.047 13.660 1.00 0.00 C ATOM 112 C ALA A 9 -4.690 -10.449 12.213 1.00 0.00 C ATOM 113 O ALA A 9 -4.069 -9.692 11.468 1.00 0.00 O ATOM 114 CB ALA A 9 -3.858 -10.451 14.616 1.00 0.00 C ATOM 0 H ALA A 9 -6.118 -11.426 14.754 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.060 -8.960 13.691 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.924 -9.989 14.295 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.100 -10.117 15.625 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.748 -11.535 14.610 1.00 0.00 H new ATOM 120 N ILE A 10 -5.151 -11.639 11.858 1.00 0.00 N ATOM 121 CA ILE A 10 -4.948 -12.151 10.514 1.00 0.00 C ATOM 122 C ILE A 10 -5.956 -11.499 9.566 1.00 0.00 C ATOM 123 O ILE A 10 -5.574 -10.915 8.553 1.00 0.00 O ATOM 124 CB ILE A 10 -4.999 -13.680 10.509 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.600 -14.276 10.680 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.694 -14.201 9.249 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.570 -15.283 11.832 1.00 0.00 C ATOM 0 H ILE A 10 -5.665 -12.264 12.479 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.954 -11.887 10.153 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.594 -14.005 11.363 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.294 -14.766 9.756 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.882 -13.478 10.871 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.717 -15.291 9.270 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.713 -13.817 9.211 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.147 -13.867 8.367 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.564 -15.692 11.932 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.853 -14.784 12.759 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.271 -16.092 11.627 1.00 0.00 H new ATOM 139 N ALA A 11 -7.225 -11.620 9.929 1.00 0.00 N ATOM 140 CA ALA A 11 -8.292 -11.050 9.124 1.00 0.00 C ATOM 141 C ALA A 11 -8.033 -9.555 8.927 1.00 0.00 C ATOM 142 O ALA A 11 -8.513 -8.959 7.964 1.00 0.00 O ATOM 143 CB ALA A 11 -9.640 -11.325 9.793 1.00 0.00 C ATOM 0 H ALA A 11 -7.538 -12.105 10.770 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.318 -11.513 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.440 -10.897 9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.789 -12.401 9.883 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.653 -10.873 10.785 1.00 0.00 H new ATOM 149 N VAL A 12 -7.274 -8.991 9.856 1.00 0.00 N ATOM 150 CA VAL A 12 -6.946 -7.577 9.797 1.00 0.00 C ATOM 151 C VAL A 12 -5.836 -7.358 8.766 1.00 0.00 C ATOM 152 O VAL A 12 -5.973 -6.529 7.867 1.00 0.00 O ATOM 153 CB VAL A 12 -6.576 -7.067 11.191 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.462 -6.020 11.114 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.803 -6.509 11.914 1.00 0.00 C ATOM 0 H VAL A 12 -6.877 -9.488 10.653 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.810 -6.998 9.472 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.202 -7.912 11.769 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.218 -5.674 12.118 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.577 -6.463 10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.797 -5.176 10.511 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.512 -6.153 12.902 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.220 -5.682 11.339 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.553 -7.293 12.017 1.00 0.00 H new ATOM 165 N GLY A 13 -4.761 -8.115 8.931 1.00 0.00 N ATOM 166 CA GLY A 13 -3.629 -8.014 8.026 1.00 0.00 C ATOM 167 C GLY A 13 -4.074 -8.168 6.571 1.00 0.00 C ATOM 168 O GLY A 13 -3.552 -7.494 5.684 1.00 0.00 O ATOM 0 H GLY A 13 -4.650 -8.801 9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.137 -7.050 8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.895 -8.783 8.269 1.00 0.00 H new ATOM 172 N LEU A 14 -5.035 -9.058 6.370 1.00 0.00 N ATOM 173 CA LEU A 14 -5.557 -9.309 5.038 1.00 0.00 C ATOM 174 C LEU A 14 -6.416 -8.121 4.599 1.00 0.00 C ATOM 175 O LEU A 14 -6.429 -7.760 3.424 1.00 0.00 O ATOM 176 CB LEU A 14 -6.292 -10.650 4.994 1.00 0.00 C ATOM 177 CG LEU A 14 -5.551 -11.842 5.602 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.532 -12.850 6.203 1.00 0.00 C ATOM 179 CD2 LEU A 14 -4.620 -12.491 4.575 1.00 0.00 C ATOM 0 H LEU A 14 -5.466 -9.614 7.108 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.742 -9.396 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.244 -10.537 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.521 -10.882 3.954 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.927 -11.476 6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.979 -13.687 6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.117 -12.367 6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.201 -13.216 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.105 -13.336 5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.204 -12.840 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.886 -11.760 4.236 1.00 0.00 H new ATOM 191 N GLY A 15 -7.114 -7.548 5.569 1.00 0.00 N ATOM 192 CA GLY A 15 -7.974 -6.408 5.298 1.00 0.00 C ATOM 193 C GLY A 15 -7.151 -5.181 4.901 1.00 0.00 C ATOM 194 O GLY A 15 -7.455 -4.518 3.911 1.00 0.00 O ATOM 0 H GLY A 15 -7.102 -7.852 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.672 -6.656 4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.570 -6.180 6.181 1.00 0.00 H new ATOM 198 N ALA A 16 -6.123 -4.916 5.695 1.00 0.00 N ATOM 199 CA ALA A 16 -5.253 -3.781 5.439 1.00 0.00 C ATOM 200 C ALA A 16 -4.389 -4.072 4.211 1.00 0.00 C ATOM 201 O ALA A 16 -3.803 -3.161 3.629 1.00 0.00 O ATOM 202 CB ALA A 16 -4.416 -3.488 6.686 1.00 0.00 C ATOM 0 H ALA A 16 -5.874 -5.468 6.516 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.840 -2.888 5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.763 -2.636 6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.077 -3.258 7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.811 -4.361 6.932 1.00 0.00 H new ATOM 208 N LEU A 17 -4.337 -5.347 3.853 1.00 0.00 N ATOM 209 CA LEU A 17 -3.554 -5.770 2.704 1.00 0.00 C ATOM 210 C LEU A 17 -4.218 -5.260 1.424 1.00 0.00 C ATOM 211 O LEU A 17 -3.606 -4.519 0.655 1.00 0.00 O ATOM 212 CB LEU A 17 -3.344 -7.285 2.727 1.00 0.00 C ATOM 213 CG LEU A 17 -3.034 -7.940 1.380 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.726 -8.731 1.443 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.204 -8.805 0.907 1.00 0.00 C ATOM 0 H LEU A 17 -4.824 -6.100 4.338 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.556 -5.333 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.527 -7.508 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.241 -7.750 3.137 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.898 -7.151 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.529 -9.186 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.907 -8.060 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.809 -9.511 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.957 -9.258 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.397 -9.589 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.094 -8.185 0.797 1.00 0.00 H new ATOM 227 N GLY A 18 -5.461 -5.677 1.233 1.00 0.00 N ATOM 228 CA GLY A 18 -6.215 -5.272 0.059 1.00 0.00 C ATOM 229 C GLY A 18 -6.734 -3.841 0.208 1.00 0.00 C ATOM 230 O GLY A 18 -6.966 -3.154 -0.786 1.00 0.00 O ATOM 0 H GLY A 18 -5.965 -6.292 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.583 -5.343 -0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.053 -5.953 -0.092 1.00 0.00 H new ATOM 234 N ALA A 19 -6.902 -3.433 1.457 1.00 0.00 N ATOM 235 CA ALA A 19 -7.390 -2.096 1.749 1.00 0.00 C ATOM 236 C ALA A 19 -6.243 -1.094 1.594 1.00 0.00 C ATOM 237 O ALA A 19 -6.475 0.084 1.329 1.00 0.00 O ATOM 238 CB ALA A 19 -8.001 -2.070 3.151 1.00 0.00 C ATOM 0 H ALA A 19 -6.709 -4.005 2.279 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.174 -1.812 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.367 -1.067 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.829 -2.777 3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.243 -2.347 3.883 1.00 0.00 H new ATOM 244 N GLY A 20 -5.031 -1.600 1.765 1.00 0.00 N ATOM 245 CA GLY A 20 -3.848 -0.765 1.647 1.00 0.00 C ATOM 246 C GLY A 20 -3.545 -0.447 0.182 1.00 0.00 C ATOM 247 O GLY A 20 -3.260 0.699 -0.162 1.00 0.00 O ATOM 0 H GLY A 20 -4.842 -2.578 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.996 0.162 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.994 -1.272 2.097 1.00 0.00 H new ATOM 251 N ILE A 21 -3.616 -1.482 -0.642 1.00 0.00 N ATOM 252 CA ILE A 21 -3.353 -1.328 -2.062 1.00 0.00 C ATOM 253 C ILE A 21 -4.318 -0.295 -2.646 1.00 0.00 C ATOM 254 O ILE A 21 -3.979 0.411 -3.595 1.00 0.00 O ATOM 255 CB ILE A 21 -3.404 -2.685 -2.768 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.374 -2.755 -3.897 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.819 -2.993 -3.262 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.949 -2.699 -3.344 1.00 0.00 C ATOM 0 H ILE A 21 -3.852 -2.431 -0.353 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.344 -0.949 -2.223 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.141 -3.457 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.512 -3.676 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.532 -1.928 -4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.828 -3.963 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.504 -3.014 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.135 -2.222 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.237 -2.751 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.807 -1.766 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.787 -3.541 -2.671 1.00 0.00 H new ATOM 270 N GLY A 22 -5.503 -0.238 -2.055 1.00 0.00 N ATOM 271 CA GLY A 22 -6.520 0.697 -2.504 1.00 0.00 C ATOM 272 C GLY A 22 -6.174 2.127 -2.083 1.00 0.00 C ATOM 273 O GLY A 22 -6.495 3.081 -2.790 1.00 0.00 O ATOM 0 H GLY A 22 -5.781 -0.825 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.613 0.646 -3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.487 0.415 -2.088 1.00 0.00 H new ATOM 277 N ASN A 23 -5.525 2.231 -0.933 1.00 0.00 N ATOM 278 CA ASN A 23 -5.133 3.528 -0.409 1.00 0.00 C ATOM 279 C ASN A 23 -3.880 4.012 -1.142 1.00 0.00 C ATOM 280 O ASN A 23 -3.661 5.215 -1.276 1.00 0.00 O ATOM 281 CB ASN A 23 -4.804 3.443 1.083 1.00 0.00 C ATOM 282 CG ASN A 23 -4.668 4.839 1.695 1.00 0.00 C ATOM 283 OD1 ASN A 23 -3.590 5.288 2.046 1.00 0.00 O ATOM 284 ND2 ASN A 23 -5.819 5.496 1.802 1.00 0.00 N ATOM 0 H ASN A 23 -5.261 1.438 -0.349 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.965 4.216 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.587 2.890 1.601 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.876 2.888 1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.835 6.436 2.198 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.686 5.060 1.488 1.00 0.00 H new ATOM 291 N GLY A 24 -3.092 3.050 -1.599 1.00 0.00 N ATOM 292 CA GLY A 24 -1.867 3.363 -2.315 1.00 0.00 C ATOM 293 C GLY A 24 -2.169 3.814 -3.746 1.00 0.00 C ATOM 294 O GLY A 24 -1.496 4.695 -4.278 1.00 0.00 O ATOM 0 H GLY A 24 -3.278 2.053 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.325 4.149 -1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.219 2.487 -2.335 1.00 0.00 H new ATOM 298 N LEU A 25 -3.182 3.188 -4.328 1.00 0.00 N ATOM 299 CA LEU A 25 -3.581 3.514 -5.687 1.00 0.00 C ATOM 300 C LEU A 25 -4.330 4.848 -5.687 1.00 0.00 C ATOM 301 O LEU A 25 -4.222 5.625 -6.636 1.00 0.00 O ATOM 302 CB LEU A 25 -4.377 2.362 -6.302 1.00 0.00 C ATOM 303 CG LEU A 25 -5.649 1.952 -5.557 1.00 0.00 C ATOM 304 CD1 LEU A 25 -6.782 2.947 -5.819 1.00 0.00 C ATOM 305 CD2 LEU A 25 -6.053 0.519 -5.908 1.00 0.00 C ATOM 0 H LEU A 25 -3.738 2.457 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.704 3.640 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.649 2.638 -7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.724 1.492 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.440 1.975 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.675 2.633 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.482 3.938 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.998 2.980 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.960 0.253 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.237 0.445 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.250 -0.164 -5.630 1.00 0.00 H new ATOM 317 N ILE A 26 -5.073 5.074 -4.614 1.00 0.00 N ATOM 318 CA ILE A 26 -5.840 6.301 -4.479 1.00 0.00 C ATOM 319 C ILE A 26 -4.884 7.494 -4.446 1.00 0.00 C ATOM 320 O ILE A 26 -5.130 8.509 -5.095 1.00 0.00 O ATOM 321 CB ILE A 26 -6.767 6.222 -3.264 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.185 5.825 -3.681 1.00 0.00 C ATOM 323 CG2 ILE A 26 -6.748 7.532 -2.474 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.760 6.823 -4.688 1.00 0.00 C ATOM 0 H ILE A 26 -5.160 4.428 -3.829 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.493 6.439 -5.341 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.395 5.441 -2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.173 4.827 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.827 5.779 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.415 7.449 -1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.734 7.733 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.081 8.348 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.768 6.518 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.793 7.815 -4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.129 6.848 -5.576 1.00 0.00 H new ATOM 336 N VAL A 27 -3.812 7.332 -3.684 1.00 0.00 N ATOM 337 CA VAL A 27 -2.817 8.384 -3.558 1.00 0.00 C ATOM 338 C VAL A 27 -2.058 8.522 -4.879 1.00 0.00 C ATOM 339 O VAL A 27 -1.737 9.631 -5.302 1.00 0.00 O ATOM 340 CB VAL A 27 -1.900 8.096 -2.368 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.138 6.784 -2.567 1.00 0.00 C ATOM 342 CG2 VAL A 27 -0.935 9.259 -2.126 1.00 0.00 C ATOM 0 H VAL A 27 -3.611 6.488 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.296 9.342 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.525 7.989 -1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.494 6.603 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.848 5.963 -2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.529 6.850 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.294 9.029 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.320 9.412 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.503 10.166 -1.918 1.00 0.00 H new ATOM 352 N SER A 28 -1.791 7.379 -5.494 1.00 0.00 N ATOM 353 CA SER A 28 -1.075 7.358 -6.758 1.00 0.00 C ATOM 354 C SER A 28 -1.900 8.060 -7.838 1.00 0.00 C ATOM 355 O SER A 28 -1.345 8.628 -8.777 1.00 0.00 O ATOM 356 CB SER A 28 -0.751 5.925 -7.184 1.00 0.00 C ATOM 357 OG SER A 28 -1.802 5.346 -7.953 1.00 0.00 O ATOM 0 H SER A 28 -2.058 6.460 -5.140 1.00 0.00 H new ATOM 0 HA SER A 28 -0.133 7.890 -6.626 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.170 5.920 -7.767 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.571 5.315 -6.298 1.00 0.00 H new ATOM 0 HG SER A 28 -2.664 5.547 -7.532 1.00 0.00 H new ATOM 363 N ARG A 29 -3.213 7.997 -7.669 1.00 0.00 N ATOM 364 CA ARG A 29 -4.120 8.619 -8.619 1.00 0.00 C ATOM 365 C ARG A 29 -4.070 10.142 -8.481 1.00 0.00 C ATOM 366 O ARG A 29 -4.100 10.860 -9.479 1.00 0.00 O ATOM 367 CB ARG A 29 -5.557 8.142 -8.401 1.00 0.00 C ATOM 368 CG ARG A 29 -6.296 8.001 -9.734 1.00 0.00 C ATOM 369 CD ARG A 29 -5.894 6.711 -10.451 1.00 0.00 C ATOM 370 NE ARG A 29 -7.102 5.959 -10.856 1.00 0.00 N ATOM 371 CZ ARG A 29 -7.075 4.787 -11.505 1.00 0.00 C ATOM 372 NH1 ARG A 29 -5.902 4.226 -11.827 1.00 0.00 N ATOM 373 NH2 ARG A 29 -8.222 4.176 -11.833 1.00 0.00 N ATOM 0 H ARG A 29 -3.670 7.525 -6.889 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.801 8.330 -9.620 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.551 7.184 -7.881 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.085 8.849 -7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.372 8.004 -9.559 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.074 8.858 -10.369 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.291 6.946 -11.328 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.277 6.098 -9.794 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.012 6.358 -10.627 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.029 4.691 -11.578 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.882 3.334 -12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.115 4.603 -11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.201 3.284 -12.327 1.00 0.00 H new ATOM 387 N THR A 30 -3.993 10.589 -7.236 1.00 0.00 N ATOM 388 CA THR A 30 -3.938 12.014 -6.955 1.00 0.00 C ATOM 389 C THR A 30 -2.549 12.568 -7.279 1.00 0.00 C ATOM 390 O THR A 30 -2.410 13.738 -7.631 1.00 0.00 O ATOM 391 CB THR A 30 -4.352 12.225 -5.498 1.00 0.00 C ATOM 392 OG1 THR A 30 -4.959 13.514 -5.492 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.150 12.375 -4.563 1.00 0.00 C ATOM 0 H THR A 30 -3.967 9.990 -6.411 1.00 0.00 H new ATOM 0 HA THR A 30 -4.630 12.569 -7.588 1.00 0.00 H new ATOM 0 HB THR A 30 -4.964 11.385 -5.170 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.259 13.730 -4.584 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.500 12.522 -3.541 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.538 11.475 -4.610 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.555 13.235 -4.870 1.00 0.00 H new ATOM 401 N ILE A 31 -1.556 11.701 -7.147 1.00 0.00 N ATOM 402 CA ILE A 31 -0.183 12.089 -7.421 1.00 0.00 C ATOM 403 C ILE A 31 -0.014 12.325 -8.923 1.00 0.00 C ATOM 404 O ILE A 31 0.665 13.264 -9.335 1.00 0.00 O ATOM 405 CB ILE A 31 0.790 11.057 -6.847 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.900 11.737 -6.044 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.350 10.158 -7.951 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.844 11.324 -4.571 1.00 0.00 C ATOM 0 H ILE A 31 -1.675 10.731 -6.854 1.00 0.00 H new ATOM 0 HA ILE A 31 0.054 13.029 -6.922 1.00 0.00 H new ATOM 0 HB ILE A 31 0.240 10.416 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.871 11.472 -6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.802 12.819 -6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.039 9.434 -7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.531 9.631 -8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.879 10.768 -8.683 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.644 11.822 -4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.881 11.612 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.967 10.244 -4.491 1.00 0.00 H new ATOM 420 N GLU A 32 -0.642 11.455 -9.701 1.00 0.00 N ATOM 421 CA GLU A 32 -0.570 11.557 -11.148 1.00 0.00 C ATOM 422 C GLU A 32 -1.397 12.747 -11.639 1.00 0.00 C ATOM 423 O GLU A 32 -1.114 13.312 -12.694 1.00 0.00 O ATOM 424 CB GLU A 32 -1.030 10.258 -11.813 1.00 0.00 C ATOM 425 CG GLU A 32 -2.487 9.949 -11.463 1.00 0.00 C ATOM 426 CD GLU A 32 -3.053 8.865 -12.382 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.727 7.684 -12.135 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.800 9.242 -13.311 1.00 0.00 O ATOM 0 H GLU A 32 -1.203 10.676 -9.356 1.00 0.00 H new ATOM 0 HA GLU A 32 0.470 11.722 -11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.922 10.341 -12.894 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.392 9.435 -11.491 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.554 9.623 -10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.086 10.855 -11.552 1.00 0.00 H new ATOM 435 N GLY A 33 -2.404 13.092 -10.849 1.00 0.00 N ATOM 436 CA GLY A 33 -3.274 14.204 -11.190 1.00 0.00 C ATOM 437 C GLY A 33 -2.490 15.517 -11.246 1.00 0.00 C ATOM 438 O GLY A 33 -2.492 16.202 -12.267 1.00 0.00 O ATOM 0 H GLY A 33 -2.636 12.621 -9.975 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.747 14.018 -12.154 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.073 14.285 -10.453 1.00 0.00 H new ATOM 442 N ILE A 34 -1.840 15.828 -10.134 1.00 0.00 N ATOM 443 CA ILE A 34 -1.053 17.047 -10.044 1.00 0.00 C ATOM 444 C ILE A 34 0.079 16.996 -11.071 1.00 0.00 C ATOM 445 O ILE A 34 0.360 17.989 -11.740 1.00 0.00 O ATOM 446 CB ILE A 34 -0.572 17.268 -8.608 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.344 16.128 -8.156 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.754 17.466 -7.657 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.815 16.490 -8.368 1.00 0.00 C ATOM 0 H ILE A 34 -1.842 15.258 -9.288 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.665 17.915 -10.288 1.00 0.00 H new ATOM 0 HB ILE A 34 0.017 18.185 -8.582 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.167 15.911 -7.103 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.105 15.222 -8.713 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.384 17.621 -6.644 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.331 18.337 -7.970 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.391 16.582 -7.679 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.444 15.663 -8.039 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.993 16.683 -9.426 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.057 17.382 -7.791 1.00 0.00 H new ATOM 461 N ALA A 35 0.698 15.828 -11.165 1.00 0.00 N ATOM 462 CA ALA A 35 1.793 15.634 -12.100 1.00 0.00 C ATOM 463 C ALA A 35 1.364 16.116 -13.488 1.00 0.00 C ATOM 464 O ALA A 35 2.206 16.457 -14.317 1.00 0.00 O ATOM 465 CB ALA A 35 2.213 14.163 -12.097 1.00 0.00 C ATOM 0 H ALA A 35 0.462 15.006 -10.609 1.00 0.00 H new ATOM 0 HA ALA A 35 2.662 16.221 -11.801 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.034 14.018 -12.799 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.536 13.879 -11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.368 13.543 -12.395 1.00 0.00 H new ATOM 471 N ARG A 36 0.056 16.127 -13.697 1.00 0.00 N ATOM 472 CA ARG A 36 -0.495 16.561 -14.970 1.00 0.00 C ATOM 473 C ARG A 36 0.119 17.900 -15.385 1.00 0.00 C ATOM 474 O ARG A 36 0.678 18.020 -16.474 1.00 0.00 O ATOM 475 CB ARG A 36 -2.016 16.708 -14.891 1.00 0.00 C ATOM 476 CG ARG A 36 -2.688 15.347 -14.698 1.00 0.00 C ATOM 477 CD ARG A 36 -4.165 15.512 -14.334 1.00 0.00 C ATOM 478 NE ARG A 36 -4.945 15.879 -15.536 1.00 0.00 N ATOM 479 CZ ARG A 36 -6.271 16.071 -15.542 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.973 15.932 -14.408 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.896 16.402 -16.680 1.00 0.00 N ATOM 0 H ARG A 36 -0.639 15.842 -13.006 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.253 15.800 -15.712 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.279 17.368 -14.064 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.388 17.175 -15.803 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.598 14.760 -15.612 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.176 14.793 -13.912 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.549 14.584 -13.910 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.276 16.281 -13.570 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.442 15.993 -16.416 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.497 15.680 -13.541 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.982 16.078 -14.412 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.362 16.508 -17.543 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.905 16.548 -16.684 1.00 0.00 H new ATOM 495 N GLN A 37 -0.006 18.873 -14.494 1.00 0.00 N ATOM 496 CA GLN A 37 0.529 20.199 -14.754 1.00 0.00 C ATOM 497 C GLN A 37 1.867 20.096 -15.488 1.00 0.00 C ATOM 498 O GLN A 37 2.540 19.068 -15.421 1.00 0.00 O ATOM 499 CB GLN A 37 0.675 20.996 -13.456 1.00 0.00 C ATOM 500 CG GLN A 37 -0.590 21.806 -13.165 1.00 0.00 C ATOM 501 CD GLN A 37 -0.273 23.299 -13.062 1.00 0.00 C ATOM 502 OE1 GLN A 37 0.831 23.705 -12.735 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.299 24.091 -13.358 1.00 0.00 N ATOM 0 H GLN A 37 -0.470 18.770 -13.591 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.174 20.734 -15.393 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.874 20.316 -12.628 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.531 21.666 -13.531 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.322 21.640 -13.955 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.041 21.461 -12.234 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.196 23.685 -13.624 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.189 25.104 -13.319 1.00 0.00 H new ATOM 512 N PRO A 38 2.224 21.205 -16.191 1.00 0.00 N ATOM 513 CA PRO A 38 3.470 21.249 -16.937 1.00 0.00 C ATOM 514 C PRO A 38 4.666 21.418 -15.998 1.00 0.00 C ATOM 515 O PRO A 38 5.705 20.789 -16.191 1.00 0.00 O ATOM 516 CB PRO A 38 3.307 22.409 -17.906 1.00 0.00 C ATOM 517 CG PRO A 38 2.174 23.258 -17.354 1.00 0.00 C ATOM 518 CD PRO A 38 1.453 22.440 -16.294 1.00 0.00 C ATOM 0 HA PRO A 38 3.671 20.323 -17.475 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.228 22.988 -17.981 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.074 22.050 -18.909 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.563 24.181 -16.925 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.486 23.542 -18.151 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.421 22.967 -15.341 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.421 22.240 -16.582 1.00 0.00 H new ATOM 526 N GLU A 39 4.478 22.271 -15.001 1.00 0.00 N ATOM 527 CA GLU A 39 5.529 22.531 -14.031 1.00 0.00 C ATOM 528 C GLU A 39 5.780 21.288 -13.175 1.00 0.00 C ATOM 529 O GLU A 39 6.728 21.250 -12.392 1.00 0.00 O ATOM 530 CB GLU A 39 5.181 23.738 -13.157 1.00 0.00 C ATOM 531 CG GLU A 39 6.432 24.303 -12.482 1.00 0.00 C ATOM 532 CD GLU A 39 6.065 25.393 -11.472 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.059 26.088 -11.729 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.799 25.505 -10.467 1.00 0.00 O ATOM 0 H GLU A 39 3.614 22.790 -14.844 1.00 0.00 H new ATOM 0 HA GLU A 39 6.446 22.767 -14.571 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.712 24.510 -13.767 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.455 23.445 -12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.971 23.501 -11.977 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.103 24.713 -13.237 1.00 0.00 H new ATOM 541 N LEU A 40 4.914 20.301 -13.354 1.00 0.00 N ATOM 542 CA LEU A 40 5.031 19.060 -12.607 1.00 0.00 C ATOM 543 C LEU A 40 5.296 17.908 -13.579 1.00 0.00 C ATOM 544 O LEU A 40 4.845 16.786 -13.356 1.00 0.00 O ATOM 545 CB LEU A 40 3.799 18.848 -11.725 1.00 0.00 C ATOM 546 CG LEU A 40 3.610 19.851 -10.585 1.00 0.00 C ATOM 547 CD1 LEU A 40 2.649 20.970 -10.993 1.00 0.00 C ATOM 548 CD2 LEU A 40 3.159 19.147 -9.304 1.00 0.00 C ATOM 0 H LEU A 40 4.129 20.335 -14.005 1.00 0.00 H new ATOM 0 HA LEU A 40 5.880 19.104 -11.925 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.913 18.878 -12.359 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.851 17.847 -11.297 1.00 0.00 H new ATOM 0 HG LEU A 40 4.574 20.315 -10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.532 21.669 -10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.050 21.497 -11.859 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.679 20.542 -11.246 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.032 19.883 -8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.211 18.639 -9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.912 18.417 -9.006 1.00 0.00 H new ATOM 560 N ARG A 41 6.027 18.226 -14.638 1.00 0.00 N ATOM 561 CA ARG A 41 6.358 17.232 -15.645 1.00 0.00 C ATOM 562 C ARG A 41 7.212 16.120 -15.032 1.00 0.00 C ATOM 563 O ARG A 41 7.019 14.944 -15.338 1.00 0.00 O ATOM 564 CB ARG A 41 7.116 17.863 -16.814 1.00 0.00 C ATOM 565 CG ARG A 41 7.117 16.936 -18.031 1.00 0.00 C ATOM 566 CD ARG A 41 8.379 16.072 -18.061 1.00 0.00 C ATOM 567 NE ARG A 41 9.246 16.481 -19.188 1.00 0.00 N ATOM 568 CZ ARG A 41 8.958 16.256 -20.477 1.00 0.00 C ATOM 569 NH1 ARG A 41 7.824 15.626 -20.811 1.00 0.00 N ATOM 570 NH2 ARG A 41 9.805 16.663 -21.433 1.00 0.00 N ATOM 0 H ARG A 41 6.399 19.158 -14.820 1.00 0.00 H new ATOM 0 HA ARG A 41 5.423 16.813 -16.018 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.657 18.815 -17.078 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.142 18.076 -16.514 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.235 16.296 -18.006 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.056 17.528 -18.944 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.920 16.172 -17.120 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.108 15.021 -18.163 1.00 0.00 H new ATOM 0 HE ARG A 41 10.117 16.964 -18.970 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.179 15.317 -20.084 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.606 15.455 -21.793 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.668 17.144 -21.179 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.586 16.492 -22.415 1.00 0.00 H new ATOM 584 N PRO A 42 8.163 16.542 -14.156 1.00 0.00 N ATOM 585 CA PRO A 42 9.047 15.595 -13.498 1.00 0.00 C ATOM 586 C PRO A 42 8.313 14.838 -12.390 1.00 0.00 C ATOM 587 O PRO A 42 8.764 13.781 -11.952 1.00 0.00 O ATOM 588 CB PRO A 42 10.204 16.434 -12.979 1.00 0.00 C ATOM 589 CG PRO A 42 9.702 17.868 -12.956 1.00 0.00 C ATOM 590 CD PRO A 42 8.420 17.926 -13.770 1.00 0.00 C ATOM 0 HA PRO A 42 9.407 14.817 -14.171 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.505 16.110 -11.983 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.077 16.336 -13.624 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.519 18.192 -11.932 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.450 18.541 -13.374 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.596 18.333 -13.183 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.535 18.566 -14.645 1.00 0.00 H new ATOM 598 N VAL A 43 7.194 15.408 -11.969 1.00 0.00 N ATOM 599 CA VAL A 43 6.393 14.800 -10.920 1.00 0.00 C ATOM 600 C VAL A 43 5.844 13.461 -11.415 1.00 0.00 C ATOM 601 O VAL A 43 5.580 12.561 -10.619 1.00 0.00 O ATOM 602 CB VAL A 43 5.295 15.767 -10.472 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.327 15.087 -9.502 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.896 17.030 -9.852 1.00 0.00 C ATOM 0 H VAL A 43 6.823 16.285 -12.335 1.00 0.00 H new ATOM 0 HA VAL A 43 7.006 14.596 -10.042 1.00 0.00 H new ATOM 0 HB VAL A 43 4.730 16.064 -11.355 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.557 15.796 -9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.861 14.233 -9.992 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.873 14.747 -8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.094 17.700 -9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.498 16.759 -8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.525 17.532 -10.587 1.00 0.00 H new ATOM 614 N LEU A 44 5.688 13.371 -12.728 1.00 0.00 N ATOM 615 CA LEU A 44 5.175 12.156 -13.339 1.00 0.00 C ATOM 616 C LEU A 44 5.977 10.957 -12.831 1.00 0.00 C ATOM 617 O LEU A 44 5.411 9.905 -12.538 1.00 0.00 O ATOM 618 CB LEU A 44 5.163 12.287 -14.863 1.00 0.00 C ATOM 619 CG LEU A 44 3.784 12.269 -15.527 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.734 13.237 -16.711 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.389 10.848 -15.932 1.00 0.00 C ATOM 0 H LEU A 44 5.908 14.119 -13.385 1.00 0.00 H new ATOM 0 HA LEU A 44 4.137 11.992 -13.048 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.662 13.218 -15.132 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.757 11.475 -15.282 1.00 0.00 H new ATOM 0 HG LEU A 44 3.049 12.612 -14.799 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.744 13.205 -17.165 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.941 14.249 -16.363 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.481 12.947 -17.450 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.405 10.864 -16.401 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.121 10.454 -16.637 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.359 10.213 -15.047 1.00 0.00 H new ATOM 633 N GLN A 45 7.284 11.155 -12.741 1.00 0.00 N ATOM 634 CA GLN A 45 8.171 10.102 -12.274 1.00 0.00 C ATOM 635 C GLN A 45 7.877 9.773 -10.809 1.00 0.00 C ATOM 636 O GLN A 45 7.841 8.605 -10.427 1.00 0.00 O ATOM 637 CB GLN A 45 9.637 10.496 -12.464 1.00 0.00 C ATOM 638 CG GLN A 45 10.568 9.344 -12.079 1.00 0.00 C ATOM 639 CD GLN A 45 11.830 9.347 -12.944 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.000 10.160 -13.837 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.703 8.393 -12.630 1.00 0.00 N ATOM 0 H GLN A 45 7.751 12.029 -12.984 1.00 0.00 H new ATOM 0 HA GLN A 45 7.989 9.208 -12.871 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.810 10.777 -13.503 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.864 11.371 -11.855 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.843 9.430 -11.028 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.045 8.395 -12.195 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.498 7.744 -11.870 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.577 8.311 -13.149 1.00 0.00 H new ATOM 650 N THR A 46 7.675 10.825 -10.028 1.00 0.00 N ATOM 651 CA THR A 46 7.386 10.662 -8.614 1.00 0.00 C ATOM 652 C THR A 46 6.189 9.730 -8.418 1.00 0.00 C ATOM 653 O THR A 46 6.081 9.059 -7.393 1.00 0.00 O ATOM 654 CB THR A 46 7.179 12.053 -8.010 1.00 0.00 C ATOM 655 OG1 THR A 46 7.761 11.959 -6.713 1.00 0.00 O ATOM 656 CG2 THR A 46 5.705 12.359 -7.736 1.00 0.00 C ATOM 0 H THR A 46 7.706 11.793 -10.348 1.00 0.00 H new ATOM 0 HA THR A 46 8.217 10.186 -8.093 1.00 0.00 H new ATOM 0 HB THR A 46 7.587 12.806 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.672 12.819 -6.252 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.614 13.357 -7.308 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.144 12.312 -8.669 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.305 11.626 -7.035 1.00 0.00 H new ATOM 664 N THR A 47 5.318 9.719 -9.417 1.00 0.00 N ATOM 665 CA THR A 47 4.133 8.881 -9.367 1.00 0.00 C ATOM 666 C THR A 47 4.497 7.424 -9.659 1.00 0.00 C ATOM 667 O THR A 47 3.911 6.507 -9.086 1.00 0.00 O ATOM 668 CB THR A 47 3.105 9.458 -10.343 1.00 0.00 C ATOM 669 OG1 THR A 47 3.454 8.880 -11.597 1.00 0.00 O ATOM 670 CG2 THR A 47 3.285 10.961 -10.562 1.00 0.00 C ATOM 0 H THR A 47 5.410 10.277 -10.266 1.00 0.00 H new ATOM 0 HA THR A 47 3.692 8.879 -8.370 1.00 0.00 H new ATOM 0 HB THR A 47 2.100 9.264 -9.968 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.002 9.512 -12.107 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.531 11.320 -11.262 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.175 11.483 -9.611 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.278 11.153 -10.968 1.00 0.00 H new ATOM 678 N MET A 48 5.462 7.256 -10.552 1.00 0.00 N ATOM 679 CA MET A 48 5.911 5.927 -10.927 1.00 0.00 C ATOM 680 C MET A 48 6.469 5.174 -9.717 1.00 0.00 C ATOM 681 O MET A 48 6.229 3.978 -9.560 1.00 0.00 O ATOM 682 CB MET A 48 6.993 6.038 -12.003 1.00 0.00 C ATOM 683 CG MET A 48 6.432 5.691 -13.383 1.00 0.00 C ATOM 684 SD MET A 48 7.668 5.986 -14.637 1.00 0.00 S ATOM 685 CE MET A 48 6.682 5.750 -16.106 1.00 0.00 C ATOM 0 H MET A 48 5.945 8.019 -11.026 1.00 0.00 H new ATOM 0 HA MET A 48 5.057 5.372 -11.314 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.397 7.050 -12.015 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.819 5.368 -11.763 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.121 4.647 -13.406 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.546 6.292 -13.586 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.304 5.898 -16.989 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.276 4.738 -16.113 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.863 6.469 -16.114 1.00 0.00 H new ATOM 695 N PHE A 49 7.204 5.907 -8.893 1.00 0.00 N ATOM 696 CA PHE A 49 7.799 5.324 -7.702 1.00 0.00 C ATOM 697 C PHE A 49 6.749 5.127 -6.606 1.00 0.00 C ATOM 698 O PHE A 49 6.838 4.186 -5.818 1.00 0.00 O ATOM 699 CB PHE A 49 8.860 6.307 -7.205 1.00 0.00 C ATOM 700 CG PHE A 49 10.057 5.639 -6.526 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.996 5.002 -7.276 1.00 0.00 C ATOM 702 CD2 PHE A 49 10.183 5.682 -5.172 1.00 0.00 C ATOM 703 CE1 PHE A 49 12.108 4.382 -6.646 1.00 0.00 C ATOM 704 CE2 PHE A 49 11.295 5.062 -4.542 1.00 0.00 C ATOM 705 CZ PHE A 49 12.233 4.425 -5.293 1.00 0.00 C ATOM 0 H PHE A 49 7.401 6.899 -9.027 1.00 0.00 H new ATOM 0 HA PHE A 49 8.227 4.350 -7.938 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.217 6.898 -8.049 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.398 7.001 -6.503 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.896 4.968 -8.351 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.438 6.188 -4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.854 3.877 -7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 49 11.396 5.096 -3.467 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.078 3.953 -4.814 1.00 0.00 H new ATOM 715 N ILE A 50 5.780 6.030 -6.590 1.00 0.00 N ATOM 716 CA ILE A 50 4.715 5.967 -5.604 1.00 0.00 C ATOM 717 C ILE A 50 3.824 4.758 -5.897 1.00 0.00 C ATOM 718 O ILE A 50 3.298 4.132 -4.978 1.00 0.00 O ATOM 719 CB ILE A 50 3.954 7.293 -5.552 1.00 0.00 C ATOM 720 CG1 ILE A 50 3.925 7.854 -4.129 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.548 7.142 -6.137 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.284 8.441 -3.743 1.00 0.00 C ATOM 0 H ILE A 50 5.710 6.809 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 50 5.129 5.824 -4.606 1.00 0.00 H new ATOM 0 HB ILE A 50 4.485 8.015 -6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.158 8.624 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.654 7.064 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.029 8.099 -6.088 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.619 6.821 -7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.994 6.399 -5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.236 8.833 -2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.045 7.662 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.541 9.247 -4.431 1.00 0.00 H new ATOM 734 N GLY A 51 3.682 4.466 -7.182 1.00 0.00 N ATOM 735 CA GLY A 51 2.864 3.343 -7.608 1.00 0.00 C ATOM 736 C GLY A 51 3.490 2.015 -7.179 1.00 0.00 C ATOM 737 O GLY A 51 2.818 1.169 -6.591 1.00 0.00 O ATOM 0 H GLY A 51 4.120 4.988 -7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.865 3.433 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.750 3.362 -8.692 1.00 0.00 H new ATOM 741 N VAL A 52 4.770 1.873 -7.490 1.00 0.00 N ATOM 742 CA VAL A 52 5.494 0.662 -7.144 1.00 0.00 C ATOM 743 C VAL A 52 5.520 0.506 -5.622 1.00 0.00 C ATOM 744 O VAL A 52 5.204 -0.561 -5.098 1.00 0.00 O ATOM 745 CB VAL A 52 6.892 0.692 -7.766 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.552 -0.687 -7.698 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.840 1.205 -9.206 1.00 0.00 C ATOM 0 H VAL A 52 5.324 2.577 -7.978 1.00 0.00 H new ATOM 0 HA VAL A 52 4.990 -0.214 -7.552 1.00 0.00 H new ATOM 0 HB VAL A 52 7.502 1.384 -7.186 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.544 -0.638 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.639 -0.998 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.943 -1.409 -8.242 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.846 1.216 -9.625 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.206 0.550 -9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.431 2.215 -9.218 1.00 0.00 H new ATOM 757 N ALA A 53 5.901 1.586 -4.955 1.00 0.00 N ATOM 758 CA ALA A 53 5.972 1.582 -3.503 1.00 0.00 C ATOM 759 C ALA A 53 4.636 1.103 -2.932 1.00 0.00 C ATOM 760 O ALA A 53 4.606 0.380 -1.937 1.00 0.00 O ATOM 761 CB ALA A 53 6.351 2.979 -3.007 1.00 0.00 C ATOM 0 H ALA A 53 6.164 2.469 -5.393 1.00 0.00 H new ATOM 0 HA ALA A 53 6.743 0.893 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.404 2.977 -1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.321 3.260 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.598 3.697 -3.332 1.00 0.00 H new ATOM 767 N LEU A 54 3.564 1.525 -3.586 1.00 0.00 N ATOM 768 CA LEU A 54 2.229 1.147 -3.156 1.00 0.00 C ATOM 769 C LEU A 54 2.034 -0.355 -3.369 1.00 0.00 C ATOM 770 O LEU A 54 1.332 -1.009 -2.600 1.00 0.00 O ATOM 771 CB LEU A 54 1.176 2.009 -3.858 1.00 0.00 C ATOM 772 CG LEU A 54 0.183 1.261 -4.748 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.972 0.691 -3.923 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.313 2.154 -5.887 1.00 0.00 C ATOM 0 H LEU A 54 3.593 2.125 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 54 2.105 1.336 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.615 2.552 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.691 2.752 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 54 0.701 0.417 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.663 0.164 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.580 -0.002 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.497 1.504 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.018 1.598 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.808 3.032 -5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.533 2.470 -6.497 1.00 0.00 H new ATOM 786 N VAL A 55 2.670 -0.859 -4.417 1.00 0.00 N ATOM 787 CA VAL A 55 2.576 -2.273 -4.740 1.00 0.00 C ATOM 788 C VAL A 55 3.331 -3.084 -3.686 1.00 0.00 C ATOM 789 O VAL A 55 3.011 -4.247 -3.445 1.00 0.00 O ATOM 790 CB VAL A 55 3.084 -2.519 -6.162 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.311 -4.011 -6.412 1.00 0.00 C ATOM 792 CG2 VAL A 55 2.125 -1.929 -7.198 1.00 0.00 C ATOM 0 H VAL A 55 3.252 -0.314 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 55 1.537 -2.602 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 55 4.043 -2.011 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.672 -4.159 -7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.050 -4.390 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.373 -4.549 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.510 -2.118 -8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.145 -2.394 -7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.036 -0.854 -7.041 1.00 0.00 H new ATOM 802 N GLU A 56 4.320 -2.439 -3.086 1.00 0.00 N ATOM 803 CA GLU A 56 5.124 -3.086 -2.063 1.00 0.00 C ATOM 804 C GLU A 56 4.352 -3.153 -0.744 1.00 0.00 C ATOM 805 O GLU A 56 4.858 -3.670 0.251 1.00 0.00 O ATOM 806 CB GLU A 56 6.461 -2.365 -1.879 1.00 0.00 C ATOM 807 CG GLU A 56 7.301 -2.432 -3.156 1.00 0.00 C ATOM 808 CD GLU A 56 8.731 -1.952 -2.898 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.455 -2.682 -2.188 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.066 -0.865 -3.417 1.00 0.00 O ATOM 0 H GLU A 56 4.583 -1.475 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 56 5.339 -4.104 -2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.283 -1.324 -1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.011 -2.817 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.319 -3.456 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.842 -1.818 -3.930 1.00 0.00 H new ATOM 817 N ALA A 57 3.138 -2.624 -0.779 1.00 0.00 N ATOM 818 CA ALA A 57 2.290 -2.617 0.402 1.00 0.00 C ATOM 819 C ALA A 57 1.446 -3.893 0.425 1.00 0.00 C ATOM 820 O ALA A 57 0.916 -4.272 1.468 1.00 0.00 O ATOM 821 CB ALA A 57 1.432 -1.350 0.407 1.00 0.00 C ATOM 0 H ALA A 57 2.721 -2.197 -1.606 1.00 0.00 H new ATOM 0 HA ALA A 57 2.894 -2.605 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.796 -1.345 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.079 -0.473 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.809 -1.329 -0.487 1.00 0.00 H new ATOM 827 N LEU A 58 1.347 -4.520 -0.738 1.00 0.00 N ATOM 828 CA LEU A 58 0.576 -5.745 -0.865 1.00 0.00 C ATOM 829 C LEU A 58 1.319 -6.885 -0.165 1.00 0.00 C ATOM 830 O LEU A 58 0.744 -7.593 0.660 1.00 0.00 O ATOM 831 CB LEU A 58 0.257 -6.029 -2.334 1.00 0.00 C ATOM 832 CG LEU A 58 -1.147 -6.561 -2.625 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.213 -5.683 -1.967 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.376 -6.709 -4.131 1.00 0.00 C ATOM 0 H LEU A 58 1.788 -4.202 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.389 -5.640 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.400 -5.109 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.982 -6.751 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.233 -7.555 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.202 -6.083 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.060 -5.672 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.137 -4.667 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.382 -7.089 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.263 -5.738 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.646 -7.406 -4.543 1.00 0.00 H new ATOM 846 N PRO A 59 2.621 -7.031 -0.530 1.00 0.00 N ATOM 847 CA PRO A 59 3.450 -8.073 0.053 1.00 0.00 C ATOM 848 C PRO A 59 3.855 -7.714 1.484 1.00 0.00 C ATOM 849 O PRO A 59 3.931 -8.586 2.349 1.00 0.00 O ATOM 850 CB PRO A 59 4.638 -8.202 -0.886 1.00 0.00 C ATOM 851 CG PRO A 59 4.668 -6.919 -1.701 1.00 0.00 C ATOM 852 CD PRO A 59 3.337 -6.211 -1.504 1.00 0.00 C ATOM 0 HA PRO A 59 2.927 -9.025 0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.565 -8.331 -0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.532 -9.073 -1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.491 -6.281 -1.379 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.830 -7.140 -2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.480 -5.195 -1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.785 -6.137 -2.441 1.00 0.00 H new ATOM 860 N ILE A 60 4.106 -6.429 1.690 1.00 0.00 N ATOM 861 CA ILE A 60 4.501 -5.944 3.001 1.00 0.00 C ATOM 862 C ILE A 60 3.436 -6.335 4.027 1.00 0.00 C ATOM 863 O ILE A 60 3.733 -7.019 5.005 1.00 0.00 O ATOM 864 CB ILE A 60 4.787 -4.442 2.953 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.188 -4.168 2.402 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.575 -3.800 4.325 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.381 -2.678 2.111 1.00 0.00 C ATOM 0 H ILE A 60 4.043 -5.709 0.970 1.00 0.00 H new ATOM 0 HA ILE A 60 5.434 -6.412 3.315 1.00 0.00 H new ATOM 0 HB ILE A 60 4.076 -3.980 2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.937 -4.502 3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.343 -4.743 1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.785 -2.732 4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.543 -3.949 4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.246 -4.261 5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.385 -2.511 1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.646 -2.353 1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.250 -2.108 3.031 1.00 0.00 H new ATOM 879 N ILE A 61 2.217 -5.884 3.769 1.00 0.00 N ATOM 880 CA ILE A 61 1.106 -6.178 4.658 1.00 0.00 C ATOM 881 C ILE A 61 0.898 -7.693 4.723 1.00 0.00 C ATOM 882 O ILE A 61 0.689 -8.248 5.801 1.00 0.00 O ATOM 883 CB ILE A 61 -0.142 -5.404 4.230 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.128 -3.898 4.209 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.338 -5.760 5.115 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.229 -3.258 5.553 1.00 0.00 C ATOM 0 H ILE A 61 1.974 -5.317 2.957 1.00 0.00 H new ATOM 0 HA ILE A 61 1.329 -5.842 5.671 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.396 -5.700 3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.179 -3.716 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.454 -3.432 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.212 -5.196 4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.545 -6.827 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.111 -5.511 6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.028 -2.188 5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.286 -3.420 5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.372 -3.710 6.342 1.00 0.00 H new ATOM 898 N GLY A 62 0.963 -8.318 3.557 1.00 0.00 N ATOM 899 CA GLY A 62 0.784 -9.757 3.468 1.00 0.00 C ATOM 900 C GLY A 62 1.728 -10.487 4.425 1.00 0.00 C ATOM 901 O GLY A 62 1.373 -11.525 4.982 1.00 0.00 O ATOM 0 H GLY A 62 1.137 -7.854 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.249 -10.014 3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.969 -10.088 2.446 1.00 0.00 H new ATOM 905 N VAL A 63 2.913 -9.915 4.587 1.00 0.00 N ATOM 906 CA VAL A 63 3.911 -10.498 5.468 1.00 0.00 C ATOM 907 C VAL A 63 3.484 -10.292 6.923 1.00 0.00 C ATOM 908 O VAL A 63 3.746 -11.138 7.776 1.00 0.00 O ATOM 909 CB VAL A 63 5.289 -9.909 5.160 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.310 -10.317 6.224 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.759 -10.318 3.763 1.00 0.00 C ATOM 0 H VAL A 63 3.204 -9.054 4.123 1.00 0.00 H new ATOM 0 HA VAL A 63 3.987 -11.572 5.301 1.00 0.00 H new ATOM 0 HB VAL A 63 5.202 -8.823 5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.281 -9.885 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.985 -9.953 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.393 -11.404 6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.741 -9.886 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.822 -11.405 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.049 -9.955 3.020 1.00 0.00 H new ATOM 921 N VAL A 64 2.833 -9.163 7.161 1.00 0.00 N ATOM 922 CA VAL A 64 2.368 -8.835 8.497 1.00 0.00 C ATOM 923 C VAL A 64 1.307 -9.850 8.927 1.00 0.00 C ATOM 924 O VAL A 64 1.438 -10.485 9.972 1.00 0.00 O ATOM 925 CB VAL A 64 1.863 -7.391 8.536 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.018 -7.139 9.786 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.027 -6.401 8.452 1.00 0.00 C ATOM 0 H VAL A 64 2.617 -8.464 6.451 1.00 0.00 H new ATOM 0 HA VAL A 64 3.188 -8.898 9.212 1.00 0.00 H new ATOM 0 HB VAL A 64 1.227 -7.235 7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.672 -6.105 9.789 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.159 -7.810 9.786 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.621 -7.322 10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.641 -5.382 8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.700 -6.559 9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.570 -6.556 7.520 1.00 0.00 H new ATOM 937 N PHE A 65 0.280 -9.972 8.099 1.00 0.00 N ATOM 938 CA PHE A 65 -0.802 -10.899 8.380 1.00 0.00 C ATOM 939 C PHE A 65 -0.259 -12.284 8.739 1.00 0.00 C ATOM 940 O PHE A 65 -0.715 -12.905 9.698 1.00 0.00 O ATOM 941 CB PHE A 65 -1.641 -11.008 7.105 1.00 0.00 C ATOM 942 CG PHE A 65 -1.979 -12.445 6.704 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.703 -13.233 7.543 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.556 -12.935 5.508 1.00 0.00 C ATOM 945 CE1 PHE A 65 -3.018 -14.567 7.171 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.871 -14.269 5.135 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.595 -15.056 5.975 1.00 0.00 C ATOM 0 H PHE A 65 0.175 -9.444 7.233 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.390 -10.539 9.224 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.569 -10.453 7.244 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.103 -10.530 6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.039 -12.844 8.493 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.980 -12.310 4.842 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.593 -15.192 7.838 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.536 -14.658 4.185 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.834 -16.070 5.692 1.00 0.00 H new ATOM 957 N SER A 66 0.709 -12.727 7.950 1.00 0.00 N ATOM 958 CA SER A 66 1.319 -14.027 8.172 1.00 0.00 C ATOM 959 C SER A 66 2.082 -14.027 9.498 1.00 0.00 C ATOM 960 O SER A 66 1.978 -14.972 10.278 1.00 0.00 O ATOM 961 CB SER A 66 2.256 -14.399 7.021 1.00 0.00 C ATOM 962 OG SER A 66 1.689 -14.092 5.750 1.00 0.00 O ATOM 0 H SER A 66 1.086 -12.209 7.156 1.00 0.00 H new ATOM 0 HA SER A 66 0.526 -14.774 8.216 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.200 -13.866 7.135 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.484 -15.464 7.069 1.00 0.00 H new ATOM 0 HG SER A 66 1.876 -13.157 5.526 1.00 0.00 H new ATOM 968 N PHE A 67 2.832 -12.955 9.713 1.00 0.00 N ATOM 969 CA PHE A 67 3.612 -12.820 10.931 1.00 0.00 C ATOM 970 C PHE A 67 2.717 -12.917 12.169 1.00 0.00 C ATOM 971 O PHE A 67 3.124 -13.464 13.192 1.00 0.00 O ATOM 972 CB PHE A 67 4.262 -11.436 10.894 1.00 0.00 C ATOM 973 CG PHE A 67 5.747 -11.456 10.524 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.141 -11.949 9.320 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.672 -10.980 11.400 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.519 -11.968 8.976 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.050 -10.999 11.056 1.00 0.00 C ATOM 978 CZ PHE A 67 8.444 -11.492 9.852 1.00 0.00 C ATOM 0 H PHE A 67 2.915 -12.173 9.064 1.00 0.00 H new ATOM 0 HA PHE A 67 4.354 -13.617 10.988 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.727 -10.814 10.176 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.148 -10.966 11.871 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.406 -12.326 8.625 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.359 -10.588 12.356 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.832 -12.360 8.020 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.785 -10.622 11.751 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.492 -11.506 9.591 1.00 0.00 H new ATOM 988 N ILE A 68 1.515 -12.376 12.034 1.00 0.00 N ATOM 989 CA ILE A 68 0.559 -12.395 13.129 1.00 0.00 C ATOM 990 C ILE A 68 0.326 -13.841 13.572 1.00 0.00 C ATOM 991 O ILE A 68 0.506 -14.172 14.742 1.00 0.00 O ATOM 992 CB ILE A 68 -0.722 -11.658 12.734 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.662 -10.189 13.155 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.957 -12.366 13.296 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.628 -9.530 12.663 1.00 0.00 C ATOM 0 H ILE A 68 1.181 -11.922 11.184 1.00 0.00 H new ATOM 0 HA ILE A 68 0.955 -11.858 13.991 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.806 -11.678 11.647 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.523 -9.656 12.752 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.721 -10.115 14.241 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.854 -11.822 13.001 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.004 -13.382 12.904 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.894 -12.399 14.384 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.645 -8.486 12.976 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.487 -10.050 13.087 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.672 -9.584 11.575 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.073 -14.663 12.612 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.333 -16.066 12.888 1.00 0.00 C ATOM 1009 C TYR A 69 0.831 -16.699 13.653 1.00 0.00 C ATOM 1010 O TYR A 69 0.625 -17.356 14.672 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.462 -16.747 11.525 1.00 0.00 C ATOM 1012 CG TYR A 69 -0.998 -18.179 11.593 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.069 -18.477 12.411 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -0.410 -19.172 10.836 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.573 -19.824 12.475 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -0.915 -20.520 10.901 1.00 0.00 C ATOM 1017 CZ TYR A 69 -1.971 -20.779 11.717 1.00 0.00 C ATOM 1018 OH TYR A 69 -2.447 -22.051 11.778 1.00 0.00 O ATOM 0 H TYR A 69 -0.223 -14.384 11.642 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.230 -16.177 13.497 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.123 -16.152 10.894 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.515 -16.758 11.042 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.529 -17.700 13.003 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.428 -18.939 10.196 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.410 -20.070 13.111 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.465 -21.307 10.314 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.921 -22.626 11.183 1.00 0.00 H new ATOM 1028 N LEU A 70 2.029 -16.478 13.132 1.00 0.00 N ATOM 1029 CA LEU A 70 3.226 -17.019 13.753 1.00 0.00 C ATOM 1030 C LEU A 70 3.314 -16.524 15.199 1.00 0.00 C ATOM 1031 O LEU A 70 4.018 -17.113 16.018 1.00 0.00 O ATOM 1032 CB LEU A 70 4.462 -16.688 12.914 1.00 0.00 C ATOM 1033 CG LEU A 70 5.699 -17.551 13.172 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.839 -18.641 12.108 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.958 -16.687 13.277 1.00 0.00 C ATOM 0 H LEU A 70 2.196 -15.932 12.287 1.00 0.00 H new ATOM 0 HA LEU A 70 3.177 -18.107 13.790 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.196 -16.776 11.861 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.728 -15.646 13.090 1.00 0.00 H new ATOM 0 HG LEU A 70 5.572 -18.052 14.131 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.726 -19.240 12.315 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.957 -19.281 12.125 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.934 -18.180 11.125 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.823 -17.325 13.460 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.102 -16.139 12.346 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.847 -15.981 14.100 1.00 0.00 H new ATOM 1047 N GLY A 71 2.589 -15.448 15.467 1.00 0.00 N ATOM 1048 CA GLY A 71 2.576 -14.868 16.799 1.00 0.00 C ATOM 1049 C GLY A 71 3.269 -13.504 16.809 1.00 0.00 C ATOM 1050 O GLY A 71 3.535 -12.946 17.873 1.00 0.00 O ATOM 0 H GLY A 71 2.007 -14.963 14.785 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.547 -14.760 17.143 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.076 -15.539 17.497 1.00 0.00 H new ATOM 1054 N ARG A 72 3.542 -13.005 15.612 1.00 0.00 N ATOM 1055 CA ARG A 72 4.200 -11.717 15.470 1.00 0.00 C ATOM 1056 C ARG A 72 5.161 -11.480 16.637 1.00 0.00 C ATOM 1057 O ARG A 72 5.916 -10.509 16.636 1.00 0.00 O ATOM 1058 CB ARG A 72 3.177 -10.580 15.421 1.00 0.00 C ATOM 1059 CG ARG A 72 2.335 -10.544 16.698 1.00 0.00 C ATOM 1060 CD ARG A 72 3.153 -10.018 17.880 1.00 0.00 C ATOM 1061 NE ARG A 72 2.323 -9.112 18.706 1.00 0.00 N ATOM 1062 CZ ARG A 72 1.270 -9.512 19.432 1.00 0.00 C ATOM 1063 NH1 ARG A 72 0.912 -10.803 19.439 1.00 0.00 N ATOM 1064 NH2 ARG A 72 0.576 -8.620 20.152 1.00 0.00 N ATOM 0 H ARG A 72 3.319 -13.470 14.732 1.00 0.00 H new ATOM 0 HA ARG A 72 4.758 -11.730 14.534 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.692 -9.628 15.294 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.527 -10.708 14.556 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.462 -9.910 16.544 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.966 -11.545 16.923 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.510 -10.851 18.486 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.033 -9.488 17.517 1.00 0.00 H new ATOM 0 HE ARG A 72 2.568 -8.122 18.724 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.441 -11.482 18.892 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.110 -11.107 19.992 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.849 -7.637 20.147 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.226 -8.924 20.705 1.00 0.00 H new