USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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 16 ASN : amide:sc= 1.02 K(o=1.9,f=-7!) USER MOD Set 1.2: A 17 LYS NZ :NH3+ -165:sc= 0.925 (180deg=-0.709) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0765 (180deg=-0.498) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 42:sc= 0.141 USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= 0.841 (180deg=0.519) USER MOD Single : A 34 GLN : amide:sc= 0.0795 X(o=0.08,f=-0.25) USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.1) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 69:sc= 0.136 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 66 LYS NZ :NH3+ -110:sc= 0.125 (180deg=-0.291) USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0347) USER MOD Single : A 69 SER OG : rot 63:sc= 1.24 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc=-0.00134 (180deg=-0.0627) USER MOD Single : A 84 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0546) USER MOD Single : A 88 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 90 THR OG1 : rot 69:sc= 0.132 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -50:sc= 0.0191 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.575 -4.558 20.634 1.00 35.41 N ATOM 2 CA MET A 1 -5.058 -4.054 19.348 1.00 35.21 C ATOM 3 C MET A 1 -3.797 -4.826 18.932 1.00 71.23 C ATOM 4 O MET A 1 -2.878 -5.006 19.743 1.00 30.05 O ATOM 5 CB MET A 1 -4.785 -2.521 19.434 1.00 12.11 C ATOM 6 CG MET A 1 -4.190 -1.902 18.161 1.00 24.44 C ATOM 7 SD MET A 1 -4.190 -0.092 18.168 1.00 42.30 S ATOM 8 CE MET A 1 -5.946 0.284 18.135 1.00 50.52 C ATOM 0 H1 MET A 1 -6.427 -4.024 20.899 1.00 35.41 H new ATOM 0 H2 MET A 1 -5.813 -5.566 20.541 1.00 35.41 H new ATOM 0 H3 MET A 1 -4.850 -4.440 21.370 1.00 35.41 H new ATOM 0 HA MET A 1 -5.814 -4.216 18.580 1.00 35.21 H new ATOM 0 HB2 MET A 1 -5.720 -2.012 19.666 1.00 12.11 H new ATOM 0 HB3 MET A 1 -4.105 -2.333 20.265 1.00 12.11 H new ATOM 0 HG2 MET A 1 -3.167 -2.257 18.039 1.00 24.44 H new ATOM 0 HG3 MET A 1 -4.755 -2.254 17.298 1.00 24.44 H new ATOM 0 HE1 MET A 1 -6.093 1.306 17.784 1.00 50.52 H new ATOM 0 HE2 MET A 1 -6.453 -0.407 17.462 1.00 50.52 H new ATOM 0 HE3 MET A 1 -6.359 0.182 19.139 1.00 50.52 H new ATOM 20 N LEU A 2 -3.753 -5.288 17.659 1.00 13.14 N ATOM 21 CA LEU A 2 -2.569 -5.962 17.083 1.00 34.22 C ATOM 22 C LEU A 2 -1.924 -5.070 16.011 1.00 4.42 C ATOM 23 O LEU A 2 -2.569 -4.165 15.469 1.00 51.33 O ATOM 24 CB LEU A 2 -2.934 -7.390 16.539 1.00 50.32 C ATOM 25 CG LEU A 2 -4.173 -7.524 15.571 1.00 23.01 C ATOM 26 CD1 LEU A 2 -3.917 -6.955 14.154 1.00 15.34 C ATOM 27 CD2 LEU A 2 -4.656 -8.990 15.486 1.00 51.13 C ATOM 0 H LEU A 2 -4.533 -5.204 17.008 1.00 13.14 H new ATOM 0 HA LEU A 2 -1.831 -6.115 17.871 1.00 34.22 H new ATOM 0 HB2 LEU A 2 -2.060 -7.781 16.018 1.00 50.32 H new ATOM 0 HB3 LEU A 2 -3.110 -8.038 17.397 1.00 50.32 H new ATOM 0 HG LEU A 2 -4.960 -6.912 16.011 1.00 23.01 H new ATOM 0 HD11 LEU A 2 -4.811 -7.082 13.544 1.00 15.34 H new ATOM 0 HD12 LEU A 2 -3.674 -5.895 14.226 1.00 15.34 H new ATOM 0 HD13 LEU A 2 -3.085 -7.487 13.693 1.00 15.34 H new ATOM 0 HD21 LEU A 2 -5.511 -9.053 14.812 1.00 51.13 H new ATOM 0 HD22 LEU A 2 -3.849 -9.618 15.108 1.00 51.13 H new ATOM 0 HD23 LEU A 2 -4.950 -9.334 16.478 1.00 51.13 H new ATOM 39 N THR A 3 -0.640 -5.301 15.745 1.00 61.23 N ATOM 40 CA THR A 3 0.083 -4.630 14.664 1.00 12.30 C ATOM 41 C THR A 3 0.581 -5.680 13.654 1.00 12.14 C ATOM 42 O THR A 3 1.359 -6.575 14.010 1.00 24.32 O ATOM 43 CB THR A 3 1.292 -3.801 15.208 1.00 54.54 C ATOM 44 OG1 THR A 3 0.870 -2.940 16.283 1.00 74.23 O ATOM 45 CG2 THR A 3 1.920 -2.932 14.114 1.00 31.22 C ATOM 0 H THR A 3 -0.069 -5.960 16.274 1.00 61.23 H new ATOM 0 HA THR A 3 -0.601 -3.937 14.175 1.00 12.30 H new ATOM 0 HB THR A 3 2.032 -4.517 15.564 1.00 54.54 H new ATOM 0 HG1 THR A 3 1.638 -2.429 16.614 1.00 74.23 H new ATOM 0 HG21 THR A 3 2.757 -2.371 14.530 1.00 31.22 H new ATOM 0 HG22 THR A 3 2.277 -3.568 13.304 1.00 31.22 H new ATOM 0 HG23 THR A 3 1.174 -2.238 13.728 1.00 31.22 H new ATOM 53 N VAL A 4 0.115 -5.579 12.406 1.00 32.10 N ATOM 54 CA VAL A 4 0.513 -6.485 11.322 1.00 34.13 C ATOM 55 C VAL A 4 1.468 -5.757 10.369 1.00 70.04 C ATOM 56 O VAL A 4 1.275 -4.576 10.060 1.00 61.23 O ATOM 57 CB VAL A 4 -0.733 -7.030 10.527 1.00 35.11 C ATOM 58 CG1 VAL A 4 -1.542 -5.898 9.856 1.00 64.14 C ATOM 59 CG2 VAL A 4 -0.314 -8.108 9.497 1.00 52.32 C ATOM 0 H VAL A 4 -0.552 -4.864 12.117 1.00 32.10 H new ATOM 0 HA VAL A 4 1.018 -7.342 11.768 1.00 34.13 H new ATOM 0 HB VAL A 4 -1.393 -7.500 11.257 1.00 35.11 H new ATOM 0 HG11 VAL A 4 -2.390 -6.325 9.321 1.00 64.14 H new ATOM 0 HG12 VAL A 4 -1.904 -5.208 10.618 1.00 64.14 H new ATOM 0 HG13 VAL A 4 -0.903 -5.361 9.155 1.00 64.14 H new ATOM 0 HG21 VAL A 4 -1.196 -8.465 8.964 1.00 52.32 H new ATOM 0 HG22 VAL A 4 0.390 -7.677 8.785 1.00 52.32 H new ATOM 0 HG23 VAL A 4 0.159 -8.942 10.015 1.00 52.32 H new ATOM 69 N GLU A 5 2.519 -6.455 9.947 1.00 32.25 N ATOM 70 CA GLU A 5 3.386 -6.005 8.855 1.00 73.14 C ATOM 71 C GLU A 5 3.026 -6.785 7.583 1.00 70.44 C ATOM 72 O GLU A 5 2.693 -7.984 7.646 1.00 0.32 O ATOM 73 CB GLU A 5 4.876 -6.223 9.201 1.00 45.02 C ATOM 74 CG GLU A 5 5.348 -5.576 10.524 1.00 12.10 C ATOM 75 CD GLU A 5 6.810 -5.917 10.856 1.00 34.42 C ATOM 76 OE1 GLU A 5 7.731 -5.227 10.363 1.00 63.54 O ATOM 77 OE2 GLU A 5 7.050 -6.904 11.591 1.00 70.24 O ATOM 0 H GLU A 5 2.796 -7.350 10.351 1.00 32.25 H new ATOM 0 HA GLU A 5 3.232 -4.937 8.698 1.00 73.14 H new ATOM 0 HB2 GLU A 5 5.067 -7.295 9.251 1.00 45.02 H new ATOM 0 HB3 GLU A 5 5.483 -5.829 8.386 1.00 45.02 H new ATOM 0 HG2 GLU A 5 5.237 -4.494 10.456 1.00 12.10 H new ATOM 0 HG3 GLU A 5 4.706 -5.911 11.338 1.00 12.10 H new ATOM 84 N VAL A 6 3.111 -6.107 6.447 1.00 41.31 N ATOM 85 CA VAL A 6 2.874 -6.701 5.135 1.00 1.50 C ATOM 86 C VAL A 6 3.823 -6.061 4.108 1.00 11.32 C ATOM 87 O VAL A 6 3.996 -4.836 4.065 1.00 61.14 O ATOM 88 CB VAL A 6 1.367 -6.564 4.699 1.00 12.25 C ATOM 89 CG1 VAL A 6 0.930 -5.093 4.582 1.00 0.11 C ATOM 90 CG2 VAL A 6 1.090 -7.346 3.398 1.00 22.10 C ATOM 0 H VAL A 6 3.349 -5.116 6.408 1.00 41.31 H new ATOM 0 HA VAL A 6 3.082 -7.770 5.189 1.00 1.50 H new ATOM 0 HB VAL A 6 0.761 -7.009 5.488 1.00 12.25 H new ATOM 0 HG11 VAL A 6 -0.116 -5.047 4.279 1.00 0.11 H new ATOM 0 HG12 VAL A 6 1.050 -4.600 5.547 1.00 0.11 H new ATOM 0 HG13 VAL A 6 1.546 -4.589 3.837 1.00 0.11 H new ATOM 0 HG21 VAL A 6 0.042 -7.233 3.122 1.00 22.10 H new ATOM 0 HG22 VAL A 6 1.720 -6.957 2.598 1.00 22.10 H new ATOM 0 HG23 VAL A 6 1.312 -8.402 3.554 1.00 22.10 H new ATOM 100 N GLU A 7 4.474 -6.915 3.329 1.00 73.01 N ATOM 101 CA GLU A 7 5.431 -6.520 2.297 1.00 52.14 C ATOM 102 C GLU A 7 4.740 -6.600 0.932 1.00 32.55 C ATOM 103 O GLU A 7 4.246 -7.663 0.550 1.00 70.32 O ATOM 104 CB GLU A 7 6.647 -7.481 2.357 1.00 62.44 C ATOM 105 CG GLU A 7 7.766 -7.191 1.336 1.00 63.31 C ATOM 106 CD GLU A 7 8.891 -8.235 1.373 1.00 12.41 C ATOM 107 OE1 GLU A 7 9.668 -8.249 2.351 1.00 52.22 O ATOM 108 OE2 GLU A 7 8.989 -9.064 0.434 1.00 11.03 O ATOM 0 H GLU A 7 4.350 -7.925 3.397 1.00 73.01 H new ATOM 0 HA GLU A 7 5.780 -5.499 2.456 1.00 52.14 H new ATOM 0 HB2 GLU A 7 7.073 -7.440 3.360 1.00 62.44 H new ATOM 0 HB3 GLU A 7 6.292 -8.500 2.203 1.00 62.44 H new ATOM 0 HG2 GLU A 7 7.338 -7.160 0.334 1.00 63.31 H new ATOM 0 HG3 GLU A 7 8.185 -6.205 1.534 1.00 63.31 H new ATOM 115 N VAL A 8 4.649 -5.468 0.224 1.00 70.13 N ATOM 116 CA VAL A 8 4.164 -5.443 -1.161 1.00 61.22 C ATOM 117 C VAL A 8 5.374 -5.148 -2.056 1.00 74.05 C ATOM 118 O VAL A 8 5.824 -4.007 -2.136 1.00 70.02 O ATOM 119 CB VAL A 8 3.045 -4.340 -1.370 1.00 63.34 C ATOM 120 CG1 VAL A 8 2.377 -4.473 -2.762 1.00 50.11 C ATOM 121 CG2 VAL A 8 1.993 -4.359 -0.227 1.00 24.21 C ATOM 0 H VAL A 8 4.907 -4.552 0.591 1.00 70.13 H new ATOM 0 HA VAL A 8 3.709 -6.401 -1.412 1.00 61.22 H new ATOM 0 HB VAL A 8 3.537 -3.368 -1.332 1.00 63.34 H new ATOM 0 HG11 VAL A 8 1.614 -3.703 -2.875 1.00 50.11 H new ATOM 0 HG12 VAL A 8 3.131 -4.354 -3.540 1.00 50.11 H new ATOM 0 HG13 VAL A 8 1.915 -5.456 -2.852 1.00 50.11 H new ATOM 0 HG21 VAL A 8 1.244 -3.588 -0.409 1.00 24.21 H new ATOM 0 HG22 VAL A 8 1.508 -5.335 -0.195 1.00 24.21 H new ATOM 0 HG23 VAL A 8 2.487 -4.168 0.726 1.00 24.21 H new ATOM 131 N LYS A 9 5.887 -6.175 -2.727 1.00 41.50 N ATOM 132 CA LYS A 9 7.064 -6.066 -3.593 1.00 34.12 C ATOM 133 C LYS A 9 6.600 -5.784 -5.027 1.00 32.01 C ATOM 134 O LYS A 9 6.113 -6.677 -5.721 1.00 63.24 O ATOM 135 CB LYS A 9 7.893 -7.372 -3.499 1.00 44.21 C ATOM 136 CG LYS A 9 9.188 -7.368 -4.349 1.00 51.52 C ATOM 137 CD LYS A 9 10.132 -8.545 -4.015 1.00 44.31 C ATOM 138 CE LYS A 9 10.669 -8.468 -2.575 1.00 73.21 C ATOM 139 NZ LYS A 9 11.596 -9.584 -2.266 1.00 62.20 N ATOM 0 H LYS A 9 5.496 -7.116 -2.687 1.00 41.50 H new ATOM 0 HA LYS A 9 7.705 -5.243 -3.275 1.00 34.12 H new ATOM 0 HB2 LYS A 9 8.158 -7.546 -2.456 1.00 44.21 H new ATOM 0 HB3 LYS A 9 7.269 -8.208 -3.813 1.00 44.21 H new ATOM 0 HG2 LYS A 9 8.923 -7.410 -5.405 1.00 51.52 H new ATOM 0 HG3 LYS A 9 9.717 -6.428 -4.191 1.00 51.52 H new ATOM 0 HD2 LYS A 9 9.600 -9.486 -4.153 1.00 44.31 H new ATOM 0 HD3 LYS A 9 10.969 -8.547 -4.714 1.00 44.31 H new ATOM 0 HE2 LYS A 9 11.184 -7.518 -2.431 1.00 73.21 H new ATOM 0 HE3 LYS A 9 9.833 -8.487 -1.875 1.00 73.21 H new ATOM 0 HZ1 LYS A 9 11.934 -9.494 -1.287 1.00 62.20 H new ATOM 0 HZ2 LYS A 9 11.098 -10.490 -2.378 1.00 62.20 H new ATOM 0 HZ3 LYS A 9 12.407 -9.552 -2.916 1.00 62.20 H new ATOM 153 N ILE A 10 6.747 -4.532 -5.449 1.00 65.53 N ATOM 154 CA ILE A 10 6.221 -4.034 -6.723 1.00 54.11 C ATOM 155 C ILE A 10 7.355 -3.977 -7.757 1.00 2.51 C ATOM 156 O ILE A 10 8.211 -3.087 -7.700 1.00 12.04 O ATOM 157 CB ILE A 10 5.612 -2.594 -6.521 1.00 34.22 C ATOM 158 CG1 ILE A 10 4.567 -2.602 -5.354 1.00 22.10 C ATOM 159 CG2 ILE A 10 5.001 -2.045 -7.837 1.00 71.22 C ATOM 160 CD1 ILE A 10 4.029 -1.238 -4.962 1.00 14.42 C ATOM 0 H ILE A 10 7.242 -3.821 -4.910 1.00 65.53 H new ATOM 0 HA ILE A 10 5.440 -4.705 -7.079 1.00 54.11 H new ATOM 0 HB ILE A 10 6.420 -1.917 -6.244 1.00 34.22 H new ATOM 0 HG12 ILE A 10 3.729 -3.237 -5.642 1.00 22.10 H new ATOM 0 HG13 ILE A 10 5.027 -3.059 -4.478 1.00 22.10 H new ATOM 0 HG21 ILE A 10 4.591 -1.051 -7.661 1.00 71.22 H new ATOM 0 HG22 ILE A 10 5.776 -1.987 -8.602 1.00 71.22 H new ATOM 0 HG23 ILE A 10 4.207 -2.711 -8.175 1.00 71.22 H new ATOM 0 HD11 ILE A 10 3.314 -1.349 -4.147 1.00 14.42 H new ATOM 0 HD12 ILE A 10 4.852 -0.602 -4.638 1.00 14.42 H new ATOM 0 HD13 ILE A 10 3.534 -0.782 -5.819 1.00 14.42 H new ATOM 172 N THR A 11 7.368 -4.930 -8.687 1.00 70.12 N ATOM 173 CA THR A 11 8.291 -4.907 -9.816 1.00 25.32 C ATOM 174 C THR A 11 7.580 -4.246 -11.010 1.00 3.13 C ATOM 175 O THR A 11 6.565 -4.741 -11.495 1.00 12.31 O ATOM 176 CB THR A 11 8.847 -6.338 -10.155 1.00 65.02 C ATOM 177 OG1 THR A 11 9.738 -6.258 -11.279 1.00 23.20 O ATOM 178 CG2 THR A 11 7.750 -7.388 -10.430 1.00 41.31 C ATOM 0 H THR A 11 6.742 -5.735 -8.678 1.00 70.12 H new ATOM 0 HA THR A 11 9.171 -4.318 -9.558 1.00 25.32 H new ATOM 0 HB THR A 11 9.377 -6.679 -9.266 1.00 65.02 H new ATOM 0 HG1 THR A 11 10.314 -5.471 -11.185 1.00 23.20 H new ATOM 0 HG21 THR A 11 8.214 -8.348 -10.656 1.00 41.31 H new ATOM 0 HG22 THR A 11 7.115 -7.490 -9.550 1.00 41.31 H new ATOM 0 HG23 THR A 11 7.145 -7.069 -11.279 1.00 41.31 H new ATOM 186 N ALA A 12 8.107 -3.100 -11.459 1.00 10.04 N ATOM 187 CA ALA A 12 7.472 -2.264 -12.496 1.00 43.22 C ATOM 188 C ALA A 12 8.474 -1.940 -13.601 1.00 13.42 C ATOM 189 O ALA A 12 9.670 -2.244 -13.464 1.00 25.43 O ATOM 190 CB ALA A 12 6.918 -0.981 -11.853 1.00 63.35 C ATOM 0 H ALA A 12 8.989 -2.722 -11.114 1.00 10.04 H new ATOM 0 HA ALA A 12 6.644 -2.810 -12.948 1.00 43.22 H new ATOM 0 HB1 ALA A 12 6.449 -0.363 -12.619 1.00 63.35 H new ATOM 0 HB2 ALA A 12 6.179 -1.243 -11.096 1.00 63.35 H new ATOM 0 HB3 ALA A 12 7.733 -0.426 -11.388 1.00 63.35 H new ATOM 196 N ASP A 13 7.982 -1.321 -14.689 1.00 11.01 N ATOM 197 CA ASP A 13 8.838 -0.887 -15.805 1.00 53.41 C ATOM 198 C ASP A 13 9.575 0.387 -15.399 1.00 62.44 C ATOM 199 O ASP A 13 10.803 0.454 -15.451 1.00 75.12 O ATOM 200 CB ASP A 13 8.005 -0.641 -17.089 1.00 24.25 C ATOM 201 CG ASP A 13 8.850 -0.127 -18.273 1.00 44.43 C ATOM 202 OD1 ASP A 13 9.650 -0.910 -18.824 1.00 44.20 O ATOM 203 OD2 ASP A 13 8.728 1.058 -18.657 1.00 24.30 O ATOM 0 H ASP A 13 6.992 -1.110 -14.818 1.00 11.01 H new ATOM 0 HA ASP A 13 9.557 -1.676 -16.026 1.00 53.41 H new ATOM 0 HB2 ASP A 13 7.513 -1.570 -17.378 1.00 24.25 H new ATOM 0 HB3 ASP A 13 7.219 0.082 -16.871 1.00 24.25 H new ATOM 208 N ASP A 14 8.785 1.389 -14.985 1.00 51.42 N ATOM 209 CA ASP A 14 9.293 2.691 -14.546 1.00 31.14 C ATOM 210 C ASP A 14 9.161 2.778 -13.007 1.00 45.32 C ATOM 211 O ASP A 14 8.151 3.258 -12.481 1.00 61.31 O ATOM 212 CB ASP A 14 8.528 3.850 -15.268 1.00 64.14 C ATOM 213 CG ASP A 14 9.310 5.181 -15.283 1.00 70.15 C ATOM 214 OD1 ASP A 14 9.810 5.603 -14.228 1.00 54.33 O ATOM 215 OD2 ASP A 14 9.432 5.818 -16.353 1.00 73.41 O ATOM 0 H ASP A 14 7.768 1.315 -14.946 1.00 51.42 H new ATOM 0 HA ASP A 14 10.345 2.796 -14.813 1.00 31.14 H new ATOM 0 HB2 ASP A 14 8.314 3.551 -16.294 1.00 64.14 H new ATOM 0 HB3 ASP A 14 7.569 4.006 -14.774 1.00 64.14 H new ATOM 220 N GLU A 15 10.196 2.281 -12.314 1.00 63.52 N ATOM 221 CA GLU A 15 10.209 2.108 -10.840 1.00 22.52 C ATOM 222 C GLU A 15 10.177 3.452 -10.065 1.00 32.01 C ATOM 223 O GLU A 15 9.688 3.492 -8.928 1.00 22.12 O ATOM 224 CB GLU A 15 11.446 1.251 -10.397 1.00 4.32 C ATOM 225 CG GLU A 15 12.820 1.961 -10.490 1.00 52.34 C ATOM 226 CD GLU A 15 13.164 2.490 -11.891 1.00 30.54 C ATOM 227 OE1 GLU A 15 13.341 1.675 -12.802 1.00 62.02 O ATOM 228 OE2 GLU A 15 13.180 3.714 -12.105 1.00 61.32 O ATOM 0 H GLU A 15 11.063 1.982 -12.760 1.00 63.52 H new ATOM 0 HA GLU A 15 9.290 1.580 -10.584 1.00 22.52 H new ATOM 0 HB2 GLU A 15 11.292 0.929 -9.367 1.00 4.32 H new ATOM 0 HB3 GLU A 15 11.480 0.351 -11.010 1.00 4.32 H new ATOM 0 HG2 GLU A 15 12.834 2.793 -9.786 1.00 52.34 H new ATOM 0 HG3 GLU A 15 13.598 1.265 -10.176 1.00 52.34 H new ATOM 235 N ASN A 16 10.700 4.548 -10.672 1.00 65.51 N ATOM 236 CA ASN A 16 10.732 5.879 -10.010 1.00 42.30 C ATOM 237 C ASN A 16 9.344 6.533 -10.026 1.00 32.42 C ATOM 238 O ASN A 16 8.966 7.195 -9.044 1.00 33.14 O ATOM 239 CB ASN A 16 11.813 6.822 -10.615 1.00 72.43 C ATOM 240 CG ASN A 16 11.595 7.181 -12.084 1.00 21.15 C ATOM 241 OD1 ASN A 16 10.903 8.149 -12.399 1.00 54.21 O ATOM 242 ND2 ASN A 16 12.192 6.425 -12.988 1.00 62.20 N ATOM 0 H ASN A 16 11.102 4.538 -11.609 1.00 65.51 H new ATOM 0 HA ASN A 16 11.017 5.711 -8.971 1.00 42.30 H new ATOM 0 HB2 ASN A 16 11.842 7.742 -10.031 1.00 72.43 H new ATOM 0 HB3 ASN A 16 12.789 6.348 -10.512 1.00 72.43 H new ATOM 0 HD21 ASN A 16 12.086 6.637 -13.980 1.00 62.20 H new ATOM 0 HD22 ASN A 16 12.759 5.630 -12.694 1.00 62.20 H new ATOM 249 N LYS A 17 8.568 6.335 -11.132 1.00 45.14 N ATOM 250 CA LYS A 17 7.148 6.741 -11.154 1.00 3.24 C ATOM 251 C LYS A 17 6.378 5.870 -10.161 1.00 23.31 C ATOM 252 O LYS A 17 5.636 6.391 -9.339 1.00 32.13 O ATOM 253 CB LYS A 17 6.470 6.637 -12.558 1.00 24.31 C ATOM 254 CG LYS A 17 7.167 7.388 -13.704 1.00 52.23 C ATOM 255 CD LYS A 17 7.556 8.848 -13.380 1.00 50.43 C ATOM 256 CE LYS A 17 8.368 9.478 -14.530 1.00 45.34 C ATOM 257 NZ LYS A 17 9.540 8.641 -14.897 1.00 41.44 N ATOM 0 H LYS A 17 8.901 5.906 -11.996 1.00 45.14 H new ATOM 0 HA LYS A 17 7.120 7.796 -10.883 1.00 3.24 H new ATOM 0 HB2 LYS A 17 6.403 5.583 -12.829 1.00 24.31 H new ATOM 0 HB3 LYS A 17 5.449 7.010 -12.474 1.00 24.31 H new ATOM 0 HG2 LYS A 17 8.067 6.841 -13.984 1.00 52.23 H new ATOM 0 HG3 LYS A 17 6.510 7.386 -14.573 1.00 52.23 H new ATOM 0 HD2 LYS A 17 6.656 9.436 -13.203 1.00 50.43 H new ATOM 0 HD3 LYS A 17 8.141 8.876 -12.461 1.00 50.43 H new ATOM 0 HE2 LYS A 17 7.726 9.607 -15.401 1.00 45.34 H new ATOM 0 HE3 LYS A 17 8.708 10.471 -14.235 1.00 45.34 H new ATOM 0 HZ1 LYS A 17 10.196 9.199 -15.481 1.00 41.44 H new ATOM 0 HZ2 LYS A 17 10.027 8.327 -14.033 1.00 41.44 H new ATOM 0 HZ3 LYS A 17 9.219 7.811 -15.434 1.00 41.44 H new ATOM 271 N ALA A 18 6.642 4.542 -10.228 1.00 23.24 N ATOM 272 CA ALA A 18 5.977 3.526 -9.396 1.00 32.40 C ATOM 273 C ALA A 18 6.040 3.879 -7.902 1.00 25.25 C ATOM 274 O ALA A 18 5.018 3.843 -7.215 1.00 55.00 O ATOM 275 CB ALA A 18 6.578 2.134 -9.649 1.00 65.31 C ATOM 0 H ALA A 18 7.331 4.149 -10.870 1.00 23.24 H new ATOM 0 HA ALA A 18 4.926 3.509 -9.684 1.00 32.40 H new ATOM 0 HB1 ALA A 18 6.071 1.400 -9.023 1.00 65.31 H new ATOM 0 HB2 ALA A 18 6.450 1.867 -10.698 1.00 65.31 H new ATOM 0 HB3 ALA A 18 7.640 2.147 -9.405 1.00 65.31 H new ATOM 281 N GLU A 19 7.236 4.296 -7.438 1.00 71.13 N ATOM 282 CA GLU A 19 7.453 4.684 -6.040 1.00 75.54 C ATOM 283 C GLU A 19 6.644 5.945 -5.681 1.00 65.30 C ATOM 284 O GLU A 19 5.854 5.914 -4.738 1.00 72.24 O ATOM 285 CB GLU A 19 8.965 4.892 -5.749 1.00 3.03 C ATOM 286 CG GLU A 19 9.262 5.262 -4.279 1.00 3.12 C ATOM 287 CD GLU A 19 10.751 5.312 -3.931 1.00 4.20 C ATOM 288 OE1 GLU A 19 11.384 6.364 -4.149 1.00 21.24 O ATOM 289 OE2 GLU A 19 11.296 4.309 -3.418 1.00 11.53 O ATOM 0 H GLU A 19 8.069 4.371 -8.022 1.00 71.13 H new ATOM 0 HA GLU A 19 7.098 3.869 -5.409 1.00 75.54 H new ATOM 0 HB2 GLU A 19 9.505 3.980 -6.002 1.00 3.03 H new ATOM 0 HB3 GLU A 19 9.347 5.679 -6.398 1.00 3.03 H new ATOM 0 HG2 GLU A 19 8.818 6.234 -4.064 1.00 3.12 H new ATOM 0 HG3 GLU A 19 8.773 4.537 -3.628 1.00 3.12 H new ATOM 296 N GLU A 20 6.804 7.022 -6.479 1.00 13.44 N ATOM 297 CA GLU A 20 6.146 8.327 -6.214 1.00 1.24 C ATOM 298 C GLU A 20 4.607 8.217 -6.196 1.00 64.12 C ATOM 299 O GLU A 20 3.942 8.821 -5.336 1.00 4.22 O ATOM 300 CB GLU A 20 6.594 9.383 -7.256 1.00 23.10 C ATOM 301 CG GLU A 20 8.088 9.751 -7.187 1.00 34.43 C ATOM 302 CD GLU A 20 8.520 10.363 -5.837 1.00 4.21 C ATOM 303 OE1 GLU A 20 8.386 11.594 -5.653 1.00 14.52 O ATOM 304 OE2 GLU A 20 9.001 9.621 -4.953 1.00 62.34 O ATOM 0 H GLU A 20 7.385 7.017 -7.317 1.00 13.44 H new ATOM 0 HA GLU A 20 6.460 8.645 -5.220 1.00 1.24 H new ATOM 0 HB2 GLU A 20 6.370 9.008 -8.255 1.00 23.10 H new ATOM 0 HB3 GLU A 20 6.003 10.288 -7.116 1.00 23.10 H new ATOM 0 HG2 GLU A 20 8.682 8.856 -7.376 1.00 34.43 H new ATOM 0 HG3 GLU A 20 8.315 10.458 -7.985 1.00 34.43 H new ATOM 311 N ILE A 21 4.061 7.435 -7.144 1.00 23.15 N ATOM 312 CA ILE A 21 2.622 7.174 -7.243 1.00 21.31 C ATOM 313 C ILE A 21 2.136 6.495 -5.953 1.00 14.41 C ATOM 314 O ILE A 21 1.291 7.053 -5.254 1.00 11.13 O ATOM 315 CB ILE A 21 2.280 6.299 -8.513 1.00 61.44 C ATOM 316 CG1 ILE A 21 2.619 7.081 -9.827 1.00 34.04 C ATOM 317 CG2 ILE A 21 0.801 5.844 -8.511 1.00 53.14 C ATOM 318 CD1 ILE A 21 2.478 6.261 -11.099 1.00 33.01 C ATOM 0 H ILE A 21 4.611 6.966 -7.864 1.00 23.15 H new ATOM 0 HA ILE A 21 2.101 8.124 -7.363 1.00 21.31 H new ATOM 0 HB ILE A 21 2.898 5.402 -8.473 1.00 61.44 H new ATOM 0 HG12 ILE A 21 1.967 7.951 -9.896 1.00 34.04 H new ATOM 0 HG13 ILE A 21 3.641 7.453 -9.760 1.00 34.04 H new ATOM 0 HG21 ILE A 21 0.604 5.245 -9.400 1.00 53.14 H new ATOM 0 HG22 ILE A 21 0.605 5.247 -7.620 1.00 53.14 H new ATOM 0 HG23 ILE A 21 0.151 6.719 -8.512 1.00 53.14 H new ATOM 0 HD11 ILE A 21 2.732 6.879 -11.960 1.00 33.01 H new ATOM 0 HD12 ILE A 21 3.151 5.405 -11.056 1.00 33.01 H new ATOM 0 HD13 ILE A 21 1.450 5.911 -11.194 1.00 33.01 H new ATOM 330 N VAL A 22 2.761 5.352 -5.599 1.00 14.11 N ATOM 331 CA VAL A 22 2.368 4.559 -4.419 1.00 42.45 C ATOM 332 C VAL A 22 2.458 5.393 -3.117 1.00 50.24 C ATOM 333 O VAL A 22 1.546 5.336 -2.298 1.00 51.12 O ATOM 334 CB VAL A 22 3.221 3.237 -4.319 1.00 42.54 C ATOM 335 CG1 VAL A 22 2.958 2.457 -3.010 1.00 4.11 C ATOM 336 CG2 VAL A 22 2.945 2.343 -5.544 1.00 65.21 C ATOM 0 H VAL A 22 3.545 4.957 -6.119 1.00 14.11 H new ATOM 0 HA VAL A 22 1.324 4.272 -4.545 1.00 42.45 H new ATOM 0 HB VAL A 22 4.272 3.527 -4.305 1.00 42.54 H new ATOM 0 HG11 VAL A 22 3.571 1.556 -2.994 1.00 4.11 H new ATOM 0 HG12 VAL A 22 3.212 3.084 -2.155 1.00 4.11 H new ATOM 0 HG13 VAL A 22 1.905 2.180 -2.957 1.00 4.11 H new ATOM 0 HG21 VAL A 22 3.537 1.431 -5.470 1.00 65.21 H new ATOM 0 HG22 VAL A 22 1.886 2.087 -5.576 1.00 65.21 H new ATOM 0 HG23 VAL A 22 3.216 2.879 -6.454 1.00 65.21 H new ATOM 346 N LYS A 23 3.522 6.221 -2.990 1.00 15.43 N ATOM 347 CA LYS A 23 3.716 7.130 -1.833 1.00 62.15 C ATOM 348 C LYS A 23 2.492 8.050 -1.635 1.00 50.13 C ATOM 349 O LYS A 23 1.816 7.990 -0.584 1.00 34.23 O ATOM 350 CB LYS A 23 4.998 7.989 -2.025 1.00 3.25 C ATOM 351 CG LYS A 23 6.316 7.201 -1.902 1.00 55.32 C ATOM 352 CD LYS A 23 7.551 8.012 -2.359 1.00 2.14 C ATOM 353 CE LYS A 23 7.724 9.331 -1.600 1.00 1.03 C ATOM 354 NZ LYS A 23 8.922 10.079 -2.062 1.00 12.24 N ATOM 0 H LYS A 23 4.268 6.278 -3.683 1.00 15.43 H new ATOM 0 HA LYS A 23 3.830 6.513 -0.941 1.00 62.15 H new ATOM 0 HB2 LYS A 23 4.961 8.461 -3.007 1.00 3.25 H new ATOM 0 HB3 LYS A 23 4.998 8.791 -1.286 1.00 3.25 H new ATOM 0 HG2 LYS A 23 6.454 6.894 -0.865 1.00 55.32 H new ATOM 0 HG3 LYS A 23 6.245 6.291 -2.498 1.00 55.32 H new ATOM 0 HD2 LYS A 23 8.446 7.404 -2.226 1.00 2.14 H new ATOM 0 HD3 LYS A 23 7.465 8.223 -3.425 1.00 2.14 H new ATOM 0 HE2 LYS A 23 6.836 9.948 -1.735 1.00 1.03 H new ATOM 0 HE3 LYS A 23 7.811 9.128 -0.533 1.00 1.03 H new ATOM 0 HZ1 LYS A 23 8.801 11.091 -1.855 1.00 12.24 H new ATOM 0 HZ2 LYS A 23 9.765 9.723 -1.568 1.00 12.24 H new ATOM 0 HZ3 LYS A 23 9.040 9.947 -3.087 1.00 12.24 H new ATOM 368 N ARG A 24 2.175 8.847 -2.683 1.00 23.32 N ATOM 369 CA ARG A 24 1.039 9.781 -2.649 1.00 35.32 C ATOM 370 C ARG A 24 -0.271 9.032 -2.377 1.00 52.43 C ATOM 371 O ARG A 24 -1.051 9.437 -1.516 1.00 53.43 O ATOM 372 CB ARG A 24 0.909 10.585 -3.975 1.00 21.51 C ATOM 373 CG ARG A 24 -0.367 11.462 -4.035 1.00 53.34 C ATOM 374 CD ARG A 24 -0.522 12.282 -5.324 1.00 30.33 C ATOM 375 NE ARG A 24 -1.852 12.924 -5.395 1.00 34.14 N ATOM 376 CZ ARG A 24 -2.234 14.016 -4.699 1.00 54.32 C ATOM 377 NH1 ARG A 24 -1.396 14.627 -3.856 1.00 75.11 N ATOM 378 NH2 ARG A 24 -3.472 14.474 -4.835 1.00 2.31 N ATOM 0 H ARG A 24 2.695 8.857 -3.561 1.00 23.32 H new ATOM 0 HA ARG A 24 1.231 10.485 -1.839 1.00 35.32 H new ATOM 0 HB2 ARG A 24 1.786 11.222 -4.093 1.00 21.51 H new ATOM 0 HB3 ARG A 24 0.904 9.890 -4.815 1.00 21.51 H new ATOM 0 HG2 ARG A 24 -1.239 10.818 -3.923 1.00 53.34 H new ATOM 0 HG3 ARG A 24 -0.363 12.144 -3.185 1.00 53.34 H new ATOM 0 HD2 ARG A 24 0.255 13.045 -5.368 1.00 30.33 H new ATOM 0 HD3 ARG A 24 -0.382 11.634 -6.189 1.00 30.33 H new ATOM 0 HE ARG A 24 -2.539 12.507 -6.023 1.00 34.14 H new ATOM 0 HH11 ARG A 24 -0.449 14.269 -3.730 1.00 75.11 H new ATOM 0 HH12 ARG A 24 -1.703 15.451 -3.339 1.00 75.11 H new ATOM 0 HH21 ARG A 24 -4.125 14.002 -5.461 1.00 2.31 H new ATOM 0 HH22 ARG A 24 -3.771 15.298 -4.314 1.00 2.31 H new ATOM 392 N VAL A 25 -0.459 7.908 -3.083 1.00 22.02 N ATOM 393 CA VAL A 25 -1.702 7.143 -3.040 1.00 73.51 C ATOM 394 C VAL A 25 -1.975 6.567 -1.633 1.00 40.24 C ATOM 395 O VAL A 25 -3.108 6.641 -1.182 1.00 31.45 O ATOM 396 CB VAL A 25 -1.724 6.025 -4.153 1.00 22.05 C ATOM 397 CG1 VAL A 25 -2.945 5.099 -4.012 1.00 62.11 C ATOM 398 CG2 VAL A 25 -1.712 6.673 -5.560 1.00 35.01 C ATOM 0 H VAL A 25 0.250 7.508 -3.698 1.00 22.02 H new ATOM 0 HA VAL A 25 -2.518 7.832 -3.257 1.00 73.51 H new ATOM 0 HB VAL A 25 -0.829 5.416 -4.024 1.00 22.05 H new ATOM 0 HG11 VAL A 25 -2.922 4.344 -4.798 1.00 62.11 H new ATOM 0 HG12 VAL A 25 -2.920 4.610 -3.038 1.00 62.11 H new ATOM 0 HG13 VAL A 25 -3.859 5.686 -4.100 1.00 62.11 H new ATOM 0 HG21 VAL A 25 -1.727 5.892 -6.320 1.00 35.01 H new ATOM 0 HG22 VAL A 25 -2.590 7.309 -5.675 1.00 35.01 H new ATOM 0 HG23 VAL A 25 -0.810 7.275 -5.676 1.00 35.01 H new ATOM 408 N ILE A 26 -0.930 6.075 -0.915 1.00 54.33 N ATOM 409 CA ILE A 26 -1.093 5.559 0.474 1.00 45.32 C ATOM 410 C ILE A 26 -1.488 6.697 1.431 1.00 54.20 C ATOM 411 O ILE A 26 -2.281 6.495 2.359 1.00 25.44 O ATOM 412 CB ILE A 26 0.203 4.862 1.018 1.00 24.33 C ATOM 413 CG1 ILE A 26 0.614 3.663 0.121 1.00 53.04 C ATOM 414 CG2 ILE A 26 0.025 4.384 2.492 1.00 22.23 C ATOM 415 CD1 ILE A 26 2.007 3.151 0.409 1.00 63.32 C ATOM 0 H ILE A 26 0.025 6.024 -1.269 1.00 54.33 H new ATOM 0 HA ILE A 26 -1.884 4.811 0.431 1.00 45.32 H new ATOM 0 HB ILE A 26 0.997 5.608 0.994 1.00 24.33 H new ATOM 0 HG12 ILE A 26 -0.100 2.852 0.261 1.00 53.04 H new ATOM 0 HG13 ILE A 26 0.554 3.963 -0.925 1.00 53.04 H new ATOM 0 HG21 ILE A 26 0.944 3.906 2.833 1.00 22.23 H new ATOM 0 HG22 ILE A 26 -0.196 5.241 3.128 1.00 22.23 H new ATOM 0 HG23 ILE A 26 -0.797 3.670 2.546 1.00 22.23 H new ATOM 0 HD11 ILE A 26 2.231 2.314 -0.252 1.00 63.32 H new ATOM 0 HD12 ILE A 26 2.730 3.949 0.241 1.00 63.32 H new ATOM 0 HD13 ILE A 26 2.066 2.820 1.446 1.00 63.32 H new ATOM 427 N ASP A 27 -0.935 7.895 1.175 1.00 23.43 N ATOM 428 CA ASP A 27 -1.315 9.109 1.918 1.00 11.25 C ATOM 429 C ASP A 27 -2.799 9.468 1.634 1.00 62.14 C ATOM 430 O ASP A 27 -3.519 9.952 2.517 1.00 64.43 O ATOM 431 CB ASP A 27 -0.367 10.276 1.550 1.00 62.12 C ATOM 432 CG ASP A 27 -0.603 11.535 2.391 1.00 41.14 C ATOM 433 OD1 ASP A 27 -0.363 11.487 3.621 1.00 2.42 O ATOM 434 OD2 ASP A 27 -1.006 12.577 1.838 1.00 34.21 O ATOM 0 H ASP A 27 -0.224 8.049 0.460 1.00 23.43 H new ATOM 0 HA ASP A 27 -1.217 8.923 2.987 1.00 11.25 H new ATOM 0 HB2 ASP A 27 0.665 9.950 1.677 1.00 62.12 H new ATOM 0 HB3 ASP A 27 -0.496 10.522 0.496 1.00 62.12 H new ATOM 439 N GLU A 28 -3.255 9.159 0.403 1.00 40.33 N ATOM 440 CA GLU A 28 -4.652 9.361 -0.021 1.00 3.24 C ATOM 441 C GLU A 28 -5.563 8.241 0.536 1.00 60.10 C ATOM 442 O GLU A 28 -6.773 8.453 0.700 1.00 71.40 O ATOM 443 CB GLU A 28 -4.747 9.424 -1.574 1.00 22.03 C ATOM 444 CG GLU A 28 -3.913 10.545 -2.236 1.00 43.43 C ATOM 445 CD GLU A 28 -4.350 11.965 -1.849 1.00 51.55 C ATOM 446 OE1 GLU A 28 -3.870 12.504 -0.834 1.00 32.23 O ATOM 447 OE2 GLU A 28 -5.202 12.547 -2.556 1.00 63.44 O ATOM 0 H GLU A 28 -2.662 8.761 -0.325 1.00 40.33 H new ATOM 0 HA GLU A 28 -4.998 10.312 0.384 1.00 3.24 H new ATOM 0 HB2 GLU A 28 -4.427 8.465 -1.982 1.00 22.03 H new ATOM 0 HB3 GLU A 28 -5.792 9.556 -1.854 1.00 22.03 H new ATOM 0 HG2 GLU A 28 -2.866 10.412 -1.964 1.00 43.43 H new ATOM 0 HG3 GLU A 28 -3.977 10.439 -3.319 1.00 43.43 H new ATOM 454 N VAL A 29 -4.975 7.047 0.819 1.00 21.14 N ATOM 455 CA VAL A 29 -5.705 5.940 1.466 1.00 64.01 C ATOM 456 C VAL A 29 -5.909 6.281 2.944 1.00 2.03 C ATOM 457 O VAL A 29 -6.979 6.070 3.490 1.00 53.34 O ATOM 458 CB VAL A 29 -4.983 4.527 1.378 1.00 64.31 C ATOM 459 CG1 VAL A 29 -5.899 3.403 1.924 1.00 33.13 C ATOM 460 CG2 VAL A 29 -4.524 4.195 -0.048 1.00 32.02 C ATOM 0 H VAL A 29 -4.000 6.834 0.607 1.00 21.14 H new ATOM 0 HA VAL A 29 -6.645 5.843 0.922 1.00 64.01 H new ATOM 0 HB VAL A 29 -4.091 4.590 2.001 1.00 64.31 H new ATOM 0 HG11 VAL A 29 -5.382 2.446 1.853 1.00 33.13 H new ATOM 0 HG12 VAL A 29 -6.143 3.607 2.966 1.00 33.13 H new ATOM 0 HG13 VAL A 29 -6.817 3.364 1.337 1.00 33.13 H new ATOM 0 HG21 VAL A 29 -4.037 3.220 -0.056 1.00 32.02 H new ATOM 0 HG22 VAL A 29 -5.388 4.174 -0.713 1.00 32.02 H new ATOM 0 HG23 VAL A 29 -3.821 4.955 -0.390 1.00 32.02 H new ATOM 470 N GLU A 30 -4.861 6.847 3.570 1.00 20.02 N ATOM 471 CA GLU A 30 -4.862 7.140 5.006 1.00 24.02 C ATOM 472 C GLU A 30 -5.993 8.106 5.379 1.00 25.10 C ATOM 473 O GLU A 30 -6.761 7.824 6.299 1.00 65.13 O ATOM 474 CB GLU A 30 -3.503 7.704 5.468 1.00 54.53 C ATOM 475 CG GLU A 30 -3.504 8.161 6.947 1.00 34.01 C ATOM 476 CD GLU A 30 -2.142 8.641 7.436 1.00 73.52 C ATOM 477 OE1 GLU A 30 -1.603 9.616 6.874 1.00 73.42 O ATOM 478 OE2 GLU A 30 -1.592 8.045 8.381 1.00 0.04 O ATOM 0 H GLU A 30 -3.998 7.111 3.095 1.00 20.02 H new ATOM 0 HA GLU A 30 -5.033 6.196 5.524 1.00 24.02 H new ATOM 0 HB2 GLU A 30 -2.735 6.943 5.330 1.00 54.53 H new ATOM 0 HB3 GLU A 30 -3.233 8.548 4.834 1.00 54.53 H new ATOM 0 HG2 GLU A 30 -4.229 8.965 7.070 1.00 34.01 H new ATOM 0 HG3 GLU A 30 -3.836 7.334 7.574 1.00 34.01 H new ATOM 485 N ARG A 31 -6.126 9.206 4.609 1.00 74.30 N ATOM 486 CA ARG A 31 -7.103 10.275 4.907 1.00 3.25 C ATOM 487 C ARG A 31 -8.561 9.765 4.804 1.00 51.54 C ATOM 488 O ARG A 31 -9.447 10.264 5.509 1.00 35.30 O ATOM 489 CB ARG A 31 -6.887 11.505 3.986 1.00 53.25 C ATOM 490 CG ARG A 31 -7.017 11.224 2.475 1.00 21.34 C ATOM 491 CD ARG A 31 -6.951 12.508 1.623 1.00 34.03 C ATOM 492 NE ARG A 31 -6.981 12.233 0.174 1.00 51.10 N ATOM 493 CZ ARG A 31 -8.077 11.950 -0.549 1.00 41.40 C ATOM 494 NH1 ARG A 31 -9.288 11.885 0.013 1.00 42.44 N ATOM 495 NH2 ARG A 31 -7.954 11.730 -1.851 1.00 44.34 N ATOM 0 H ARG A 31 -5.567 9.378 3.773 1.00 74.30 H new ATOM 0 HA ARG A 31 -6.933 10.586 5.938 1.00 3.25 H new ATOM 0 HB2 ARG A 31 -7.608 12.275 4.260 1.00 53.25 H new ATOM 0 HB3 ARG A 31 -5.895 11.914 4.179 1.00 53.25 H new ATOM 0 HG2 ARG A 31 -6.221 10.546 2.166 1.00 21.34 H new ATOM 0 HG3 ARG A 31 -7.961 10.714 2.284 1.00 21.34 H new ATOM 0 HD2 ARG A 31 -7.789 13.155 1.883 1.00 34.03 H new ATOM 0 HD3 ARG A 31 -6.039 13.054 1.866 1.00 34.03 H new ATOM 0 HE ARG A 31 -6.091 12.260 -0.323 1.00 51.10 H new ATOM 0 HH11 ARG A 31 -9.396 12.052 1.013 1.00 42.44 H new ATOM 0 HH12 ARG A 31 -10.105 11.668 -0.559 1.00 42.44 H new ATOM 0 HH21 ARG A 31 -7.035 11.777 -2.292 1.00 44.34 H new ATOM 0 HH22 ARG A 31 -8.778 11.514 -2.412 1.00 44.34 H new ATOM 509 N GLU A 32 -8.800 8.763 3.928 1.00 0.32 N ATOM 510 CA GLU A 32 -10.135 8.152 3.757 1.00 11.44 C ATOM 511 C GLU A 32 -10.340 6.969 4.736 1.00 53.42 C ATOM 512 O GLU A 32 -11.477 6.656 5.091 1.00 32.01 O ATOM 513 CB GLU A 32 -10.372 7.718 2.276 1.00 61.45 C ATOM 514 CG GLU A 32 -9.524 6.528 1.789 1.00 63.13 C ATOM 515 CD GLU A 32 -9.780 6.130 0.328 1.00 61.52 C ATOM 516 OE1 GLU A 32 -10.942 5.835 -0.013 1.00 43.51 O ATOM 517 OE2 GLU A 32 -8.826 6.078 -0.480 1.00 52.52 O ATOM 0 H GLU A 32 -8.081 8.360 3.327 1.00 0.32 H new ATOM 0 HA GLU A 32 -10.881 8.909 3.999 1.00 11.44 H new ATOM 0 HB2 GLU A 32 -11.425 7.465 2.154 1.00 61.45 H new ATOM 0 HB3 GLU A 32 -10.173 8.572 1.629 1.00 61.45 H new ATOM 0 HG2 GLU A 32 -8.469 6.775 1.907 1.00 63.13 H new ATOM 0 HG3 GLU A 32 -9.723 5.668 2.429 1.00 63.13 H new ATOM 524 N VAL A 33 -9.230 6.335 5.181 1.00 12.42 N ATOM 525 CA VAL A 33 -9.261 5.225 6.173 1.00 14.11 C ATOM 526 C VAL A 33 -9.470 5.769 7.594 1.00 30.34 C ATOM 527 O VAL A 33 -10.013 5.080 8.435 1.00 64.50 O ATOM 528 CB VAL A 33 -7.964 4.310 6.096 1.00 23.55 C ATOM 529 CG1 VAL A 33 -7.760 3.420 7.356 1.00 64.03 C ATOM 530 CG2 VAL A 33 -8.017 3.423 4.830 1.00 5.35 C ATOM 0 H VAL A 33 -8.290 6.574 4.867 1.00 12.42 H new ATOM 0 HA VAL A 33 -10.110 4.591 5.918 1.00 14.11 H new ATOM 0 HB VAL A 33 -7.110 4.986 6.049 1.00 23.55 H new ATOM 0 HG11 VAL A 33 -6.857 2.822 7.236 1.00 64.03 H new ATOM 0 HG12 VAL A 33 -7.661 4.054 8.237 1.00 64.03 H new ATOM 0 HG13 VAL A 33 -8.619 2.760 7.478 1.00 64.03 H new ATOM 0 HG21 VAL A 33 -7.124 2.799 4.785 1.00 5.35 H new ATOM 0 HG22 VAL A 33 -8.902 2.788 4.868 1.00 5.35 H new ATOM 0 HG23 VAL A 33 -8.062 4.056 3.944 1.00 5.35 H new ATOM 540 N GLN A 34 -9.072 7.025 7.846 1.00 13.25 N ATOM 541 CA GLN A 34 -9.349 7.686 9.140 1.00 35.53 C ATOM 542 C GLN A 34 -10.846 8.053 9.262 1.00 71.23 C ATOM 543 O GLN A 34 -11.315 8.383 10.347 1.00 14.33 O ATOM 544 CB GLN A 34 -8.457 8.941 9.338 1.00 40.35 C ATOM 545 CG GLN A 34 -6.932 8.666 9.356 1.00 4.01 C ATOM 546 CD GLN A 34 -6.470 7.669 10.433 1.00 54.55 C ATOM 547 OE1 GLN A 34 -7.051 7.567 11.514 1.00 25.23 O ATOM 548 NE2 GLN A 34 -5.414 6.925 10.138 1.00 14.30 N ATOM 0 H GLN A 34 -8.561 7.604 7.179 1.00 13.25 H new ATOM 0 HA GLN A 34 -9.105 6.977 9.931 1.00 35.53 H new ATOM 0 HB2 GLN A 34 -8.673 9.651 8.540 1.00 40.35 H new ATOM 0 HB3 GLN A 34 -8.735 9.421 10.276 1.00 40.35 H new ATOM 0 HG2 GLN A 34 -6.633 8.288 8.378 1.00 4.01 H new ATOM 0 HG3 GLN A 34 -6.408 9.610 9.506 1.00 4.01 H new ATOM 0 HE21 GLN A 34 -4.952 7.030 9.235 1.00 14.30 H new ATOM 0 HE22 GLN A 34 -5.063 6.247 10.814 1.00 14.30 H new ATOM 557 N LYS A 35 -11.579 7.983 8.131 1.00 43.03 N ATOM 558 CA LYS A 35 -13.037 8.191 8.092 1.00 3.41 C ATOM 559 C LYS A 35 -13.782 6.869 8.374 1.00 25.41 C ATOM 560 O LYS A 35 -14.973 6.886 8.684 1.00 75.34 O ATOM 561 CB LYS A 35 -13.462 8.752 6.705 1.00 21.33 C ATOM 562 CG LYS A 35 -12.819 10.105 6.338 1.00 1.43 C ATOM 563 CD LYS A 35 -13.260 10.598 4.941 1.00 70.44 C ATOM 564 CE LYS A 35 -12.697 11.985 4.605 1.00 41.01 C ATOM 565 NZ LYS A 35 -13.213 13.041 5.518 1.00 62.22 N ATOM 0 H LYS A 35 -11.173 7.780 7.218 1.00 43.03 H new ATOM 0 HA LYS A 35 -13.302 8.912 8.865 1.00 3.41 H new ATOM 0 HB2 LYS A 35 -13.205 8.022 5.938 1.00 21.33 H new ATOM 0 HB3 LYS A 35 -14.546 8.863 6.689 1.00 21.33 H new ATOM 0 HG2 LYS A 35 -13.089 10.849 7.087 1.00 1.43 H new ATOM 0 HG3 LYS A 35 -11.734 10.009 6.362 1.00 1.43 H new ATOM 0 HD2 LYS A 35 -12.932 9.883 4.186 1.00 70.44 H new ATOM 0 HD3 LYS A 35 -14.349 10.631 4.897 1.00 70.44 H new ATOM 0 HE2 LYS A 35 -11.609 11.957 4.664 1.00 41.01 H new ATOM 0 HE3 LYS A 35 -12.954 12.240 3.577 1.00 41.01 H new ATOM 0 HZ1 LYS A 35 -12.929 13.976 5.163 1.00 62.22 H new ATOM 0 HZ2 LYS A 35 -14.251 12.987 5.560 1.00 62.22 H new ATOM 0 HZ3 LYS A 35 -12.820 12.899 6.470 1.00 62.22 H new ATOM 579 N GLN A 36 -13.073 5.734 8.230 1.00 43.15 N ATOM 580 CA GLN A 36 -13.643 4.385 8.434 1.00 33.01 C ATOM 581 C GLN A 36 -13.243 3.880 9.834 1.00 64.21 C ATOM 582 O GLN A 36 -14.056 3.338 10.589 1.00 71.23 O ATOM 583 CB GLN A 36 -13.117 3.399 7.334 1.00 30.22 C ATOM 584 CG GLN A 36 -13.187 3.922 5.876 1.00 72.02 C ATOM 585 CD GLN A 36 -14.573 4.429 5.456 1.00 74.05 C ATOM 586 OE1 GLN A 36 -14.874 5.618 5.568 1.00 34.12 O ATOM 587 NE2 GLN A 36 -15.422 3.534 4.980 1.00 10.23 N ATOM 0 H GLN A 36 -12.087 5.724 7.969 1.00 43.15 H new ATOM 0 HA GLN A 36 -14.729 4.434 8.358 1.00 33.01 H new ATOM 0 HB2 GLN A 36 -12.081 3.148 7.562 1.00 30.22 H new ATOM 0 HB3 GLN A 36 -13.690 2.474 7.397 1.00 30.22 H new ATOM 0 HG2 GLN A 36 -12.465 4.730 5.757 1.00 72.02 H new ATOM 0 HG3 GLN A 36 -12.885 3.122 5.200 1.00 72.02 H new ATOM 0 HE21 GLN A 36 -15.141 2.557 4.900 1.00 10.23 H new ATOM 0 HE22 GLN A 36 -16.358 3.821 4.693 1.00 10.23 H new ATOM 596 N TYR A 37 -11.958 4.088 10.147 1.00 43.45 N ATOM 597 CA TYR A 37 -11.291 3.622 11.369 1.00 33.24 C ATOM 598 C TYR A 37 -10.383 4.771 11.880 1.00 54.21 C ATOM 599 O TYR A 37 -9.206 4.842 11.502 1.00 40.44 O ATOM 600 CB TYR A 37 -10.434 2.338 11.099 1.00 60.45 C ATOM 601 CG TYR A 37 -11.154 1.226 10.326 1.00 44.24 C ATOM 602 CD1 TYR A 37 -12.225 0.538 10.897 1.00 0.04 C ATOM 603 CD2 TYR A 37 -10.759 0.852 9.032 1.00 40.41 C ATOM 604 CE1 TYR A 37 -12.877 -0.464 10.211 1.00 53.22 C ATOM 605 CE2 TYR A 37 -11.416 -0.154 8.345 1.00 4.34 C ATOM 606 CZ TYR A 37 -12.467 -0.809 8.942 1.00 45.22 C ATOM 607 OH TYR A 37 -13.114 -1.819 8.268 1.00 24.15 O ATOM 0 H TYR A 37 -11.330 4.606 9.532 1.00 43.45 H new ATOM 0 HA TYR A 37 -12.040 3.358 12.115 1.00 33.24 H new ATOM 0 HB2 TYR A 37 -9.541 2.626 10.544 1.00 60.45 H new ATOM 0 HB3 TYR A 37 -10.099 1.936 12.055 1.00 60.45 H new ATOM 0 HD1 TYR A 37 -12.549 0.795 11.895 1.00 0.04 H new ATOM 0 HD2 TYR A 37 -9.928 1.358 8.564 1.00 40.41 H new ATOM 0 HE1 TYR A 37 -13.709 -0.979 10.668 1.00 53.22 H new ATOM 0 HE2 TYR A 37 -11.105 -0.423 7.346 1.00 4.34 H new ATOM 0 HH TYR A 37 -12.704 -1.938 7.386 1.00 24.15 H new ATOM 617 N PRO A 38 -10.940 5.738 12.683 1.00 12.03 N ATOM 618 CA PRO A 38 -10.147 6.860 13.265 1.00 71.11 C ATOM 619 C PRO A 38 -9.011 6.388 14.201 1.00 61.13 C ATOM 620 O PRO A 38 -7.997 7.075 14.364 1.00 3.23 O ATOM 621 CB PRO A 38 -11.206 7.689 14.044 1.00 10.44 C ATOM 622 CG PRO A 38 -12.521 7.314 13.423 1.00 14.21 C ATOM 623 CD PRO A 38 -12.382 5.858 13.039 1.00 32.43 C ATOM 0 HA PRO A 38 -9.630 7.426 12.490 1.00 71.11 H new ATOM 0 HB2 PRO A 38 -11.189 7.452 15.108 1.00 10.44 H new ATOM 0 HB3 PRO A 38 -11.016 8.758 13.953 1.00 10.44 H new ATOM 0 HG2 PRO A 38 -13.342 7.459 14.125 1.00 14.21 H new ATOM 0 HG3 PRO A 38 -12.734 7.932 12.551 1.00 14.21 H new ATOM 0 HD2 PRO A 38 -12.650 5.197 13.863 1.00 32.43 H new ATOM 0 HD3 PRO A 38 -13.027 5.599 12.200 1.00 32.43 H new ATOM 631 N ASN A 39 -9.194 5.202 14.808 1.00 24.44 N ATOM 632 CA ASN A 39 -8.236 4.636 15.788 1.00 32.11 C ATOM 633 C ASN A 39 -7.219 3.699 15.106 1.00 14.44 C ATOM 634 O ASN A 39 -6.503 2.955 15.787 1.00 65.05 O ATOM 635 CB ASN A 39 -9.008 3.892 16.908 1.00 22.50 C ATOM 636 CG ASN A 39 -9.935 4.821 17.694 1.00 51.32 C ATOM 637 OD1 ASN A 39 -9.539 5.408 18.702 1.00 13.50 O ATOM 638 ND2 ASN A 39 -11.171 4.960 17.234 1.00 64.05 N ATOM 0 H ASN A 39 -10.005 4.607 14.637 1.00 24.44 H new ATOM 0 HA ASN A 39 -7.672 5.457 16.231 1.00 32.11 H new ATOM 0 HB2 ASN A 39 -9.595 3.086 16.467 1.00 22.50 H new ATOM 0 HB3 ASN A 39 -8.295 3.431 17.592 1.00 22.50 H new ATOM 0 HD21 ASN A 39 -11.830 5.570 17.718 1.00 64.05 H new ATOM 0 HD22 ASN A 39 -11.463 4.457 16.396 1.00 64.05 H new ATOM 645 N ALA A 40 -7.158 3.744 13.764 1.00 13.40 N ATOM 646 CA ALA A 40 -6.178 2.975 12.977 1.00 14.42 C ATOM 647 C ALA A 40 -4.933 3.828 12.692 1.00 34.34 C ATOM 648 O ALA A 40 -5.024 5.055 12.555 1.00 42.44 O ATOM 649 CB ALA A 40 -6.812 2.504 11.666 1.00 11.14 C ATOM 0 H ALA A 40 -7.785 4.313 13.195 1.00 13.40 H new ATOM 0 HA ALA A 40 -5.873 2.102 13.554 1.00 14.42 H new ATOM 0 HB1 ALA A 40 -6.080 1.937 11.091 1.00 11.14 H new ATOM 0 HB2 ALA A 40 -7.672 1.871 11.885 1.00 11.14 H new ATOM 0 HB3 ALA A 40 -7.136 3.369 11.087 1.00 11.14 H new ATOM 655 N THR A 41 -3.771 3.169 12.612 1.00 31.50 N ATOM 656 CA THR A 41 -2.492 3.807 12.291 1.00 3.40 C ATOM 657 C THR A 41 -1.844 3.070 11.102 1.00 64.35 C ATOM 658 O THR A 41 -1.778 1.835 11.098 1.00 72.13 O ATOM 659 CB THR A 41 -1.559 3.778 13.547 1.00 64.21 C ATOM 660 OG1 THR A 41 -2.232 4.407 14.656 1.00 0.33 O ATOM 661 CG2 THR A 41 -0.211 4.483 13.311 1.00 62.21 C ATOM 0 H THR A 41 -3.693 2.164 12.771 1.00 31.50 H new ATOM 0 HA THR A 41 -2.652 4.848 12.011 1.00 3.40 H new ATOM 0 HB THR A 41 -1.344 2.731 13.761 1.00 64.21 H new ATOM 0 HG1 THR A 41 -1.599 4.533 15.394 1.00 0.33 H new ATOM 0 HG21 THR A 41 0.391 4.429 14.218 1.00 62.21 H new ATOM 0 HG22 THR A 41 0.318 3.992 12.494 1.00 62.21 H new ATOM 0 HG23 THR A 41 -0.387 5.527 13.054 1.00 62.21 H new ATOM 669 N ILE A 42 -1.401 3.828 10.078 1.00 3.34 N ATOM 670 CA ILE A 42 -0.759 3.274 8.869 1.00 4.25 C ATOM 671 C ILE A 42 0.684 3.803 8.775 1.00 20.20 C ATOM 672 O ILE A 42 0.897 4.969 8.443 1.00 33.13 O ATOM 673 CB ILE A 42 -1.545 3.671 7.553 1.00 23.21 C ATOM 674 CG1 ILE A 42 -3.051 3.277 7.660 1.00 25.44 C ATOM 675 CG2 ILE A 42 -0.896 3.031 6.290 1.00 24.12 C ATOM 676 CD1 ILE A 42 -3.907 3.762 6.501 1.00 44.43 C ATOM 0 H ILE A 42 -1.479 4.845 10.067 1.00 3.34 H new ATOM 0 HA ILE A 42 -0.766 2.187 8.951 1.00 4.25 H new ATOM 0 HB ILE A 42 -1.483 4.754 7.448 1.00 23.21 H new ATOM 0 HG12 ILE A 42 -3.127 2.192 7.724 1.00 25.44 H new ATOM 0 HG13 ILE A 42 -3.455 3.680 8.589 1.00 25.44 H new ATOM 0 HG21 ILE A 42 -1.459 3.323 5.404 1.00 24.12 H new ATOM 0 HG22 ILE A 42 0.134 3.376 6.196 1.00 24.12 H new ATOM 0 HG23 ILE A 42 -0.907 1.945 6.386 1.00 24.12 H new ATOM 0 HD11 ILE A 42 -4.939 3.446 6.654 1.00 44.43 H new ATOM 0 HD12 ILE A 42 -3.865 4.850 6.448 1.00 44.43 H new ATOM 0 HD13 ILE A 42 -3.532 3.338 5.569 1.00 44.43 H new ATOM 688 N THR A 43 1.658 2.955 9.108 1.00 21.34 N ATOM 689 CA THR A 43 3.085 3.237 8.891 1.00 22.40 C ATOM 690 C THR A 43 3.490 2.697 7.506 1.00 21.03 C ATOM 691 O THR A 43 3.072 1.604 7.124 1.00 65.10 O ATOM 692 CB THR A 43 3.951 2.575 10.019 1.00 2.14 C ATOM 693 OG1 THR A 43 3.504 3.055 11.302 1.00 22.31 O ATOM 694 CG2 THR A 43 5.461 2.872 9.871 1.00 33.12 C ATOM 0 H THR A 43 1.482 2.047 9.538 1.00 21.34 H new ATOM 0 HA THR A 43 3.258 4.313 8.927 1.00 22.40 H new ATOM 0 HB THR A 43 3.821 1.496 9.933 1.00 2.14 H new ATOM 0 HG1 THR A 43 4.041 2.643 12.011 1.00 22.31 H new ATOM 0 HG21 THR A 43 6.008 2.388 10.680 1.00 33.12 H new ATOM 0 HG22 THR A 43 5.815 2.489 8.914 1.00 33.12 H new ATOM 0 HG23 THR A 43 5.626 3.949 9.915 1.00 33.12 H new ATOM 702 N ARG A 44 4.256 3.487 6.741 1.00 24.15 N ATOM 703 CA ARG A 44 4.717 3.087 5.401 1.00 33.32 C ATOM 704 C ARG A 44 6.112 3.648 5.102 1.00 34.12 C ATOM 705 O ARG A 44 6.422 4.794 5.450 1.00 2.42 O ATOM 706 CB ARG A 44 3.710 3.479 4.277 1.00 52.12 C ATOM 707 CG ARG A 44 3.398 4.984 4.097 1.00 11.21 C ATOM 708 CD ARG A 44 2.530 5.582 5.225 1.00 23.54 C ATOM 709 NE ARG A 44 2.025 6.916 4.878 1.00 23.34 N ATOM 710 CZ ARG A 44 1.096 7.600 5.563 1.00 11.12 C ATOM 711 NH1 ARG A 44 0.567 7.092 6.667 1.00 1.23 N ATOM 712 NH2 ARG A 44 0.674 8.779 5.126 1.00 3.30 N ATOM 0 H ARG A 44 4.572 4.413 7.029 1.00 24.15 H new ATOM 0 HA ARG A 44 4.777 1.999 5.408 1.00 33.32 H new ATOM 0 HB2 ARG A 44 4.096 3.099 3.331 1.00 52.12 H new ATOM 0 HB3 ARG A 44 2.771 2.960 4.470 1.00 52.12 H new ATOM 0 HG2 ARG A 44 4.337 5.536 4.043 1.00 11.21 H new ATOM 0 HG3 ARG A 44 2.888 5.128 3.144 1.00 11.21 H new ATOM 0 HD2 ARG A 44 1.690 4.917 5.428 1.00 23.54 H new ATOM 0 HD3 ARG A 44 3.117 5.643 6.141 1.00 23.54 H new ATOM 0 HE ARG A 44 2.413 7.360 4.046 1.00 23.34 H new ATOM 0 HH11 ARG A 44 0.866 6.176 7.001 1.00 1.23 H new ATOM 0 HH12 ARG A 44 -0.139 7.617 7.183 1.00 1.23 H new ATOM 0 HH21 ARG A 44 1.056 9.170 4.265 1.00 3.30 H new ATOM 0 HH22 ARG A 44 -0.032 9.294 5.651 1.00 3.30 H new ATOM 726 N THR A 45 6.949 2.813 4.459 1.00 51.54 N ATOM 727 CA THR A 45 8.287 3.193 3.975 1.00 43.44 C ATOM 728 C THR A 45 8.604 2.389 2.696 1.00 72.13 C ATOM 729 O THR A 45 8.549 1.154 2.708 1.00 62.32 O ATOM 730 CB THR A 45 9.394 2.943 5.067 1.00 70.00 C ATOM 731 OG1 THR A 45 9.043 3.629 6.280 1.00 72.33 O ATOM 732 CG2 THR A 45 10.789 3.429 4.612 1.00 34.51 C ATOM 0 H THR A 45 6.710 1.842 4.259 1.00 51.54 H new ATOM 0 HA THR A 45 8.287 4.261 3.755 1.00 43.44 H new ATOM 0 HB THR A 45 9.445 1.866 5.230 1.00 70.00 H new ATOM 0 HG1 THR A 45 9.733 3.470 6.957 1.00 72.33 H new ATOM 0 HG21 THR A 45 11.517 3.234 5.400 1.00 34.51 H new ATOM 0 HG22 THR A 45 11.082 2.897 3.707 1.00 34.51 H new ATOM 0 HG23 THR A 45 10.753 4.499 4.408 1.00 34.51 H new ATOM 740 N LEU A 46 8.887 3.098 1.586 1.00 73.20 N ATOM 741 CA LEU A 46 9.237 2.474 0.294 1.00 71.14 C ATOM 742 C LEU A 46 10.760 2.492 0.112 1.00 43.33 C ATOM 743 O LEU A 46 11.442 3.401 0.607 1.00 70.14 O ATOM 744 CB LEU A 46 8.558 3.196 -0.907 1.00 74.30 C ATOM 745 CG LEU A 46 6.990 3.142 -0.972 1.00 43.15 C ATOM 746 CD1 LEU A 46 6.312 4.053 0.080 1.00 11.22 C ATOM 747 CD2 LEU A 46 6.491 3.456 -2.395 1.00 12.33 C ATOM 0 H LEU A 46 8.880 4.118 1.559 1.00 73.20 H new ATOM 0 HA LEU A 46 8.871 1.447 0.311 1.00 71.14 H new ATOM 0 HB2 LEU A 46 8.861 4.243 -0.889 1.00 74.30 H new ATOM 0 HB3 LEU A 46 8.951 2.766 -1.828 1.00 74.30 H new ATOM 0 HG LEU A 46 6.698 2.122 -0.722 1.00 43.15 H new ATOM 0 HD11 LEU A 46 5.229 3.973 -0.014 1.00 11.22 H new ATOM 0 HD12 LEU A 46 6.614 3.741 1.080 1.00 11.22 H new ATOM 0 HD13 LEU A 46 6.615 5.087 -0.084 1.00 11.22 H new ATOM 0 HD21 LEU A 46 5.402 3.413 -2.416 1.00 12.33 H new ATOM 0 HD22 LEU A 46 6.820 4.454 -2.684 1.00 12.33 H new ATOM 0 HD23 LEU A 46 6.897 2.724 -3.093 1.00 12.33 H new ATOM 759 N THR A 47 11.286 1.481 -0.592 1.00 20.35 N ATOM 760 CA THR A 47 12.715 1.386 -0.921 1.00 52.14 C ATOM 761 C THR A 47 12.886 0.799 -2.331 1.00 70.30 C ATOM 762 O THR A 47 12.385 -0.290 -2.617 1.00 44.42 O ATOM 763 CB THR A 47 13.468 0.506 0.132 1.00 42.11 C ATOM 764 OG1 THR A 47 13.260 1.055 1.452 1.00 25.03 O ATOM 765 CG2 THR A 47 14.980 0.430 -0.143 1.00 11.21 C ATOM 0 H THR A 47 10.731 0.704 -0.950 1.00 20.35 H new ATOM 0 HA THR A 47 13.147 2.386 -0.897 1.00 52.14 H new ATOM 0 HB THR A 47 13.064 -0.504 0.062 1.00 42.11 H new ATOM 0 HG1 THR A 47 13.729 0.504 2.113 1.00 25.03 H new ATOM 0 HG21 THR A 47 15.457 -0.192 0.615 1.00 11.21 H new ATOM 0 HG22 THR A 47 15.149 -0.005 -1.128 1.00 11.21 H new ATOM 0 HG23 THR A 47 15.407 1.433 -0.111 1.00 11.21 H new ATOM 773 N ARG A 48 13.593 1.529 -3.200 1.00 51.54 N ATOM 774 CA ARG A 48 13.841 1.122 -4.596 1.00 64.25 C ATOM 775 C ARG A 48 15.066 0.184 -4.715 1.00 34.31 C ATOM 776 O ARG A 48 15.928 0.118 -3.833 1.00 11.14 O ATOM 777 CB ARG A 48 13.998 2.381 -5.514 1.00 74.13 C ATOM 778 CG ARG A 48 12.681 2.855 -6.171 1.00 33.22 C ATOM 779 CD ARG A 48 12.860 4.131 -7.017 1.00 21.31 C ATOM 780 NE ARG A 48 13.204 5.293 -6.179 1.00 43.41 N ATOM 781 CZ ARG A 48 13.790 6.424 -6.603 1.00 71.32 C ATOM 782 NH1 ARG A 48 14.139 6.594 -7.878 1.00 11.40 N ATOM 783 NH2 ARG A 48 13.974 7.409 -5.740 1.00 52.41 N ATOM 0 H ARG A 48 14.014 2.426 -2.957 1.00 51.54 H new ATOM 0 HA ARG A 48 12.974 0.555 -4.935 1.00 64.25 H new ATOM 0 HB2 ARG A 48 14.411 3.199 -4.923 1.00 74.13 H new ATOM 0 HB3 ARG A 48 14.722 2.157 -6.298 1.00 74.13 H new ATOM 0 HG2 ARG A 48 12.288 2.058 -6.803 1.00 33.22 H new ATOM 0 HG3 ARG A 48 11.939 3.041 -5.394 1.00 33.22 H new ATOM 0 HD2 ARG A 48 13.644 3.971 -7.757 1.00 21.31 H new ATOM 0 HD3 ARG A 48 11.941 4.337 -7.566 1.00 21.31 H new ATOM 0 HE ARG A 48 12.976 5.233 -5.187 1.00 43.41 H new ATOM 0 HH11 ARG A 48 13.962 5.855 -8.558 1.00 11.40 H new ATOM 0 HH12 ARG A 48 14.583 7.463 -8.174 1.00 11.40 H new ATOM 0 HH21 ARG A 48 13.673 7.302 -4.772 1.00 52.41 H new ATOM 0 HH22 ARG A 48 14.417 8.276 -6.043 1.00 52.41 H new ATOM 797 N ASP A 49 15.091 -0.530 -5.841 1.00 75.44 N ATOM 798 CA ASP A 49 16.093 -1.561 -6.204 1.00 2.35 C ATOM 799 C ASP A 49 16.025 -1.726 -7.746 1.00 42.42 C ATOM 800 O ASP A 49 15.245 -1.009 -8.391 1.00 4.52 O ATOM 801 CB ASP A 49 15.756 -2.893 -5.457 1.00 45.41 C ATOM 802 CG ASP A 49 16.778 -4.034 -5.660 1.00 3.44 C ATOM 803 OD1 ASP A 49 17.755 -4.130 -4.891 1.00 72.44 O ATOM 804 OD2 ASP A 49 16.600 -4.852 -6.588 1.00 44.32 O ATOM 0 H ASP A 49 14.384 -0.408 -6.566 1.00 75.44 H new ATOM 0 HA ASP A 49 17.104 -1.277 -5.911 1.00 2.35 H new ATOM 0 HB2 ASP A 49 15.676 -2.683 -4.390 1.00 45.41 H new ATOM 0 HB3 ASP A 49 14.777 -3.240 -5.788 1.00 45.41 H new ATOM 809 N ASP A 50 16.818 -2.646 -8.330 1.00 74.33 N ATOM 810 CA ASP A 50 16.810 -2.941 -9.777 1.00 3.20 C ATOM 811 C ASP A 50 15.402 -3.380 -10.258 1.00 5.55 C ATOM 812 O ASP A 50 15.052 -4.568 -10.208 1.00 61.11 O ATOM 813 CB ASP A 50 17.872 -4.028 -10.116 1.00 24.33 C ATOM 814 CG ASP A 50 19.295 -3.635 -9.685 1.00 11.53 C ATOM 815 OD1 ASP A 50 19.839 -2.660 -10.240 1.00 12.25 O ATOM 816 OD2 ASP A 50 19.873 -4.286 -8.787 1.00 64.41 O ATOM 0 H ASP A 50 17.488 -3.210 -7.807 1.00 74.33 H new ATOM 0 HA ASP A 50 17.068 -2.024 -10.307 1.00 3.20 H new ATOM 0 HB2 ASP A 50 17.596 -4.962 -9.628 1.00 24.33 H new ATOM 0 HB3 ASP A 50 17.862 -4.215 -11.190 1.00 24.33 H new ATOM 821 N GLY A 51 14.589 -2.372 -10.649 1.00 34.42 N ATOM 822 CA GLY A 51 13.223 -2.583 -11.148 1.00 15.52 C ATOM 823 C GLY A 51 12.258 -3.079 -10.086 1.00 42.04 C ATOM 824 O GLY A 51 11.197 -3.614 -10.414 1.00 0.22 O ATOM 0 H GLY A 51 14.868 -1.391 -10.625 1.00 34.42 H new ATOM 0 HA2 GLY A 51 12.847 -1.647 -11.560 1.00 15.52 H new ATOM 0 HA3 GLY A 51 13.251 -3.303 -11.966 1.00 15.52 H new ATOM 828 N THR A 52 12.632 -2.891 -8.808 1.00 2.41 N ATOM 829 CA THR A 52 11.888 -3.425 -7.658 1.00 42.32 C ATOM 830 C THR A 52 11.723 -2.328 -6.593 1.00 34.31 C ATOM 831 O THR A 52 12.703 -1.772 -6.108 1.00 51.35 O ATOM 832 CB THR A 52 12.634 -4.663 -7.036 1.00 42.30 C ATOM 833 OG1 THR A 52 12.957 -5.602 -8.070 1.00 32.31 O ATOM 834 CG2 THR A 52 11.804 -5.375 -5.950 1.00 3.24 C ATOM 0 H THR A 52 13.463 -2.362 -8.545 1.00 2.41 H new ATOM 0 HA THR A 52 10.906 -3.751 -8.002 1.00 42.32 H new ATOM 0 HB THR A 52 13.539 -4.283 -6.562 1.00 42.30 H new ATOM 0 HG1 THR A 52 13.642 -5.219 -8.657 1.00 32.31 H new ATOM 0 HG21 THR A 52 12.368 -6.221 -5.557 1.00 3.24 H new ATOM 0 HG22 THR A 52 11.587 -4.677 -5.142 1.00 3.24 H new ATOM 0 HG23 THR A 52 10.869 -5.732 -6.382 1.00 3.24 H new ATOM 842 N VAL A 53 10.476 -2.007 -6.258 1.00 64.50 N ATOM 843 CA VAL A 53 10.133 -1.099 -5.160 1.00 44.34 C ATOM 844 C VAL A 53 9.464 -1.935 -4.065 1.00 64.03 C ATOM 845 O VAL A 53 8.319 -2.364 -4.235 1.00 22.25 O ATOM 846 CB VAL A 53 9.155 0.051 -5.631 1.00 23.12 C ATOM 847 CG1 VAL A 53 8.938 1.095 -4.504 1.00 43.30 C ATOM 848 CG2 VAL A 53 9.662 0.715 -6.935 1.00 34.33 C ATOM 0 H VAL A 53 9.660 -2.375 -6.748 1.00 64.50 H new ATOM 0 HA VAL A 53 11.039 -0.616 -4.794 1.00 44.34 H new ATOM 0 HB VAL A 53 8.187 -0.399 -5.850 1.00 23.12 H new ATOM 0 HG11 VAL A 53 8.262 1.874 -4.855 1.00 43.30 H new ATOM 0 HG12 VAL A 53 8.505 0.605 -3.632 1.00 43.30 H new ATOM 0 HG13 VAL A 53 9.895 1.541 -4.232 1.00 43.30 H new ATOM 0 HG21 VAL A 53 8.970 1.502 -7.235 1.00 34.33 H new ATOM 0 HG22 VAL A 53 10.649 1.145 -6.764 1.00 34.33 H new ATOM 0 HG23 VAL A 53 9.724 -0.034 -7.724 1.00 34.33 H new ATOM 858 N GLU A 54 10.178 -2.190 -2.957 1.00 71.12 N ATOM 859 CA GLU A 54 9.629 -2.949 -1.832 1.00 71.41 C ATOM 860 C GLU A 54 8.920 -1.969 -0.893 1.00 2.23 C ATOM 861 O GLU A 54 9.548 -1.066 -0.309 1.00 14.12 O ATOM 862 CB GLU A 54 10.723 -3.743 -1.068 1.00 23.21 C ATOM 863 CG GLU A 54 10.159 -4.640 0.070 1.00 4.21 C ATOM 864 CD GLU A 54 11.232 -5.447 0.815 1.00 51.32 C ATOM 865 OE1 GLU A 54 11.746 -6.425 0.241 1.00 53.03 O ATOM 866 OE2 GLU A 54 11.554 -5.114 1.981 1.00 2.33 O ATOM 0 H GLU A 54 11.140 -1.879 -2.820 1.00 71.12 H new ATOM 0 HA GLU A 54 8.925 -3.687 -2.216 1.00 71.41 H new ATOM 0 HB2 GLU A 54 11.268 -4.368 -1.776 1.00 23.21 H new ATOM 0 HB3 GLU A 54 11.441 -3.041 -0.644 1.00 23.21 H new ATOM 0 HG2 GLU A 54 9.629 -4.012 0.786 1.00 4.21 H new ATOM 0 HG3 GLU A 54 9.428 -5.329 -0.352 1.00 4.21 H new ATOM 873 N LEU A 55 7.612 -2.141 -0.798 1.00 62.00 N ATOM 874 CA LEU A 55 6.740 -1.349 0.056 1.00 2.25 C ATOM 875 C LEU A 55 6.562 -2.070 1.396 1.00 60.33 C ATOM 876 O LEU A 55 6.231 -3.259 1.439 1.00 21.22 O ATOM 877 CB LEU A 55 5.376 -1.153 -0.654 1.00 24.24 C ATOM 878 CG LEU A 55 4.243 -0.503 0.195 1.00 43.13 C ATOM 879 CD1 LEU A 55 4.654 0.871 0.756 1.00 54.24 C ATOM 880 CD2 LEU A 55 2.921 -0.430 -0.606 1.00 41.33 C ATOM 0 H LEU A 55 7.113 -2.856 -1.328 1.00 62.00 H new ATOM 0 HA LEU A 55 7.178 -0.369 0.244 1.00 2.25 H new ATOM 0 HB2 LEU A 55 5.536 -0.537 -1.539 1.00 24.24 H new ATOM 0 HB3 LEU A 55 5.028 -2.126 -1.001 1.00 24.24 H new ATOM 0 HG LEU A 55 4.070 -1.148 1.057 1.00 43.13 H new ATOM 0 HD11 LEU A 55 3.833 1.286 1.341 1.00 54.24 H new ATOM 0 HD12 LEU A 55 5.531 0.756 1.393 1.00 54.24 H new ATOM 0 HD13 LEU A 55 4.889 1.545 -0.068 1.00 54.24 H new ATOM 0 HD21 LEU A 55 2.147 0.028 0.010 1.00 41.33 H new ATOM 0 HD22 LEU A 55 3.072 0.170 -1.504 1.00 41.33 H new ATOM 0 HD23 LEU A 55 2.611 -1.436 -0.889 1.00 41.33 H new ATOM 892 N ARG A 56 6.789 -1.338 2.486 1.00 33.54 N ATOM 893 CA ARG A 56 6.619 -1.846 3.850 1.00 2.32 C ATOM 894 C ARG A 56 5.426 -1.135 4.493 1.00 20.23 C ATOM 895 O ARG A 56 5.527 0.039 4.849 1.00 24.44 O ATOM 896 CB ARG A 56 7.922 -1.605 4.660 1.00 15.12 C ATOM 897 CG ARG A 56 9.175 -2.293 4.071 1.00 42.52 C ATOM 898 CD ARG A 56 9.077 -3.829 4.076 1.00 45.51 C ATOM 899 NE ARG A 56 8.979 -4.345 5.452 1.00 64.32 N ATOM 900 CZ ARG A 56 9.627 -5.411 5.938 1.00 11.33 C ATOM 901 NH1 ARG A 56 10.446 -6.134 5.166 1.00 43.15 N ATOM 902 NH2 ARG A 56 9.470 -5.727 7.217 1.00 73.04 N ATOM 0 H ARG A 56 7.099 -0.367 2.449 1.00 33.54 H new ATOM 0 HA ARG A 56 6.424 -2.918 3.838 1.00 2.32 H new ATOM 0 HB2 ARG A 56 8.105 -0.532 4.720 1.00 15.12 H new ATOM 0 HB3 ARG A 56 7.773 -1.960 5.680 1.00 15.12 H new ATOM 0 HG2 ARG A 56 9.325 -1.948 3.048 1.00 42.52 H new ATOM 0 HG3 ARG A 56 10.052 -1.989 4.642 1.00 42.52 H new ATOM 0 HD2 ARG A 56 8.205 -4.144 3.502 1.00 45.51 H new ATOM 0 HD3 ARG A 56 9.952 -4.255 3.585 1.00 45.51 H new ATOM 0 HE ARG A 56 8.362 -3.845 6.092 1.00 64.32 H new ATOM 0 HH11 ARG A 56 10.586 -5.876 4.189 1.00 43.15 H new ATOM 0 HH12 ARG A 56 10.931 -6.943 5.554 1.00 43.15 H new ATOM 0 HH21 ARG A 56 8.864 -5.161 7.811 1.00 73.04 H new ATOM 0 HH22 ARG A 56 9.955 -6.536 7.606 1.00 73.04 H new ATOM 916 N ILE A 57 4.289 -1.833 4.577 1.00 31.31 N ATOM 917 CA ILE A 57 3.085 -1.339 5.256 1.00 23.25 C ATOM 918 C ILE A 57 2.978 -2.025 6.626 1.00 40.02 C ATOM 919 O ILE A 57 3.009 -3.249 6.712 1.00 22.14 O ATOM 920 CB ILE A 57 1.781 -1.629 4.418 1.00 33.23 C ATOM 921 CG1 ILE A 57 1.804 -0.913 3.037 1.00 44.21 C ATOM 922 CG2 ILE A 57 0.503 -1.238 5.199 1.00 32.44 C ATOM 923 CD1 ILE A 57 1.719 0.604 3.108 1.00 13.22 C ATOM 0 H ILE A 57 4.177 -2.763 4.173 1.00 31.31 H new ATOM 0 HA ILE A 57 3.170 -0.258 5.370 1.00 23.25 H new ATOM 0 HB ILE A 57 1.762 -2.704 4.240 1.00 33.23 H new ATOM 0 HG12 ILE A 57 2.721 -1.188 2.515 1.00 44.21 H new ATOM 0 HG13 ILE A 57 0.972 -1.283 2.437 1.00 44.21 H new ATOM 0 HG21 ILE A 57 -0.375 -1.452 4.590 1.00 32.44 H new ATOM 0 HG22 ILE A 57 0.452 -1.812 6.124 1.00 32.44 H new ATOM 0 HG23 ILE A 57 0.531 -0.174 5.434 1.00 32.44 H new ATOM 0 HD11 ILE A 57 1.742 1.017 2.100 1.00 13.22 H new ATOM 0 HD12 ILE A 57 0.790 0.894 3.598 1.00 13.22 H new ATOM 0 HD13 ILE A 57 2.565 0.990 3.677 1.00 13.22 H new ATOM 935 N LYS A 58 2.848 -1.231 7.679 1.00 35.13 N ATOM 936 CA LYS A 58 2.655 -1.720 9.042 1.00 54.23 C ATOM 937 C LYS A 58 1.372 -1.078 9.581 1.00 31.52 C ATOM 938 O LYS A 58 1.366 0.113 9.873 1.00 32.23 O ATOM 939 CB LYS A 58 3.902 -1.359 9.905 1.00 32.13 C ATOM 940 CG LYS A 58 3.826 -1.829 11.374 1.00 33.41 C ATOM 941 CD LYS A 58 5.090 -1.476 12.201 1.00 4.44 C ATOM 942 CE LYS A 58 6.356 -2.173 11.677 1.00 62.12 C ATOM 943 NZ LYS A 58 7.525 -1.956 12.570 1.00 23.40 N ATOM 0 H LYS A 58 2.874 -0.213 7.612 1.00 35.13 H new ATOM 0 HA LYS A 58 2.551 -2.805 9.072 1.00 54.23 H new ATOM 0 HB2 LYS A 58 4.786 -1.797 9.443 1.00 32.13 H new ATOM 0 HB3 LYS A 58 4.037 -0.277 9.890 1.00 32.13 H new ATOM 0 HG2 LYS A 58 2.954 -1.378 11.847 1.00 33.41 H new ATOM 0 HG3 LYS A 58 3.677 -2.909 11.395 1.00 33.41 H new ATOM 0 HD2 LYS A 58 5.241 -0.397 12.183 1.00 4.44 H new ATOM 0 HD3 LYS A 58 4.929 -1.758 13.241 1.00 4.44 H new ATOM 0 HE2 LYS A 58 6.167 -3.242 11.581 1.00 62.12 H new ATOM 0 HE3 LYS A 58 6.588 -1.800 10.680 1.00 62.12 H new ATOM 0 HZ1 LYS A 58 8.356 -2.443 12.178 1.00 23.40 H new ATOM 0 HZ2 LYS A 58 7.723 -0.937 12.642 1.00 23.40 H new ATOM 0 HZ3 LYS A 58 7.315 -2.335 13.515 1.00 23.40 H new ATOM 957 N VAL A 59 0.277 -1.851 9.646 1.00 54.33 N ATOM 958 CA VAL A 59 -1.035 -1.350 10.103 1.00 2.04 C ATOM 959 C VAL A 59 -1.289 -1.800 11.548 1.00 54.02 C ATOM 960 O VAL A 59 -1.325 -3.002 11.835 1.00 30.24 O ATOM 961 CB VAL A 59 -2.230 -1.844 9.191 1.00 65.45 C ATOM 962 CG1 VAL A 59 -3.596 -1.317 9.710 1.00 13.45 C ATOM 963 CG2 VAL A 59 -2.016 -1.439 7.717 1.00 71.22 C ATOM 0 H VAL A 59 0.272 -2.837 9.385 1.00 54.33 H new ATOM 0 HA VAL A 59 -0.998 -0.263 10.039 1.00 2.04 H new ATOM 0 HB VAL A 59 -2.247 -2.933 9.244 1.00 65.45 H new ATOM 0 HG11 VAL A 59 -4.395 -1.675 9.060 1.00 13.45 H new ATOM 0 HG12 VAL A 59 -3.764 -1.679 10.725 1.00 13.45 H new ATOM 0 HG13 VAL A 59 -3.589 -0.227 9.710 1.00 13.45 H new ATOM 0 HG21 VAL A 59 -2.854 -1.793 7.117 1.00 71.22 H new ATOM 0 HG22 VAL A 59 -1.950 -0.353 7.644 1.00 71.22 H new ATOM 0 HG23 VAL A 59 -1.092 -1.884 7.348 1.00 71.22 H new ATOM 973 N LYS A 60 -1.461 -0.821 12.442 1.00 23.13 N ATOM 974 CA LYS A 60 -1.878 -1.056 13.824 1.00 23.41 C ATOM 975 C LYS A 60 -3.401 -0.821 13.897 1.00 40.42 C ATOM 976 O LYS A 60 -3.864 0.313 13.710 1.00 2.21 O ATOM 977 CB LYS A 60 -1.109 -0.102 14.775 1.00 63.33 C ATOM 978 CG LYS A 60 -1.328 -0.387 16.281 1.00 42.43 C ATOM 979 CD LYS A 60 -0.669 0.671 17.209 1.00 31.03 C ATOM 980 CE LYS A 60 -1.264 2.077 17.004 1.00 62.20 C ATOM 981 NZ LYS A 60 -0.679 3.088 17.924 1.00 61.01 N ATOM 0 H LYS A 60 -1.313 0.164 12.223 1.00 23.13 H new ATOM 0 HA LYS A 60 -1.651 -2.075 14.136 1.00 23.41 H new ATOM 0 HB2 LYS A 60 -0.044 -0.171 14.556 1.00 63.33 H new ATOM 0 HB3 LYS A 60 -1.412 0.924 14.564 1.00 63.33 H new ATOM 0 HG2 LYS A 60 -2.398 -0.423 16.485 1.00 42.43 H new ATOM 0 HG3 LYS A 60 -0.925 -1.371 16.520 1.00 42.43 H new ATOM 0 HD2 LYS A 60 -0.800 0.371 18.249 1.00 31.03 H new ATOM 0 HD3 LYS A 60 0.404 0.701 17.018 1.00 31.03 H new ATOM 0 HE2 LYS A 60 -1.098 2.391 15.973 1.00 62.20 H new ATOM 0 HE3 LYS A 60 -2.343 2.036 17.155 1.00 62.20 H new ATOM 0 HZ1 LYS A 60 -1.114 4.015 17.743 1.00 61.01 H new ATOM 0 HZ2 LYS A 60 -0.859 2.807 18.909 1.00 61.01 H new ATOM 0 HZ3 LYS A 60 0.347 3.150 17.764 1.00 61.01 H new ATOM 995 N ALA A 61 -4.160 -1.897 14.116 1.00 15.21 N ATOM 996 CA ALA A 61 -5.635 -1.867 14.202 1.00 43.53 C ATOM 997 C ALA A 61 -6.092 -2.890 15.247 1.00 15.31 C ATOM 998 O ALA A 61 -5.338 -3.815 15.570 1.00 72.31 O ATOM 999 CB ALA A 61 -6.268 -2.155 12.833 1.00 50.33 C ATOM 0 H ALA A 61 -3.769 -2.831 14.241 1.00 15.21 H new ATOM 0 HA ALA A 61 -5.962 -0.873 14.506 1.00 43.53 H new ATOM 0 HB1 ALA A 61 -7.354 -2.128 12.921 1.00 50.33 H new ATOM 0 HB2 ALA A 61 -5.943 -1.401 12.116 1.00 50.33 H new ATOM 0 HB3 ALA A 61 -5.957 -3.141 12.488 1.00 50.33 H new ATOM 1005 N ASP A 62 -7.329 -2.722 15.762 1.00 14.53 N ATOM 1006 CA ASP A 62 -7.845 -3.510 16.898 1.00 11.43 C ATOM 1007 C ASP A 62 -7.781 -5.025 16.631 1.00 33.04 C ATOM 1008 O ASP A 62 -7.082 -5.755 17.346 1.00 14.04 O ATOM 1009 CB ASP A 62 -9.282 -3.061 17.264 1.00 22.51 C ATOM 1010 CG ASP A 62 -9.865 -3.806 18.477 1.00 73.55 C ATOM 1011 OD1 ASP A 62 -9.286 -3.696 19.578 1.00 51.41 O ATOM 1012 OD2 ASP A 62 -10.889 -4.508 18.339 1.00 11.35 O ATOM 0 H ASP A 62 -7.995 -2.038 15.402 1.00 14.53 H new ATOM 0 HA ASP A 62 -7.197 -3.316 17.753 1.00 11.43 H new ATOM 0 HB2 ASP A 62 -9.278 -1.991 17.472 1.00 22.51 H new ATOM 0 HB3 ASP A 62 -9.933 -3.217 16.404 1.00 22.51 H new ATOM 1017 N THR A 63 -8.485 -5.492 15.586 1.00 62.33 N ATOM 1018 CA THR A 63 -8.466 -6.912 15.179 1.00 61.23 C ATOM 1019 C THR A 63 -7.829 -7.069 13.788 1.00 20.23 C ATOM 1020 O THR A 63 -7.704 -6.082 13.030 1.00 13.22 O ATOM 1021 CB THR A 63 -9.907 -7.518 15.188 1.00 30.55 C ATOM 1022 OG1 THR A 63 -10.783 -6.706 14.401 1.00 4.22 O ATOM 1023 CG2 THR A 63 -10.465 -7.653 16.621 1.00 53.30 C ATOM 0 H THR A 63 -9.079 -4.903 15.002 1.00 62.33 H new ATOM 0 HA THR A 63 -7.862 -7.459 15.902 1.00 61.23 H new ATOM 0 HB THR A 63 -9.847 -8.518 14.759 1.00 30.55 H new ATOM 0 HG1 THR A 63 -11.683 -7.093 14.410 1.00 4.22 H new ATOM 0 HG21 THR A 63 -11.468 -8.078 16.582 1.00 53.30 H new ATOM 0 HG22 THR A 63 -9.816 -8.307 17.204 1.00 53.30 H new ATOM 0 HG23 THR A 63 -10.505 -6.670 17.090 1.00 53.30 H new ATOM 1031 N GLU A 64 -7.432 -8.322 13.453 1.00 51.41 N ATOM 1032 CA GLU A 64 -6.799 -8.645 12.163 1.00 31.13 C ATOM 1033 C GLU A 64 -7.749 -8.388 10.988 1.00 54.15 C ATOM 1034 O GLU A 64 -7.289 -8.106 9.885 1.00 75.20 O ATOM 1035 CB GLU A 64 -6.298 -10.107 12.126 1.00 23.14 C ATOM 1036 CG GLU A 64 -7.391 -11.179 12.285 1.00 11.41 C ATOM 1037 CD GLU A 64 -6.891 -12.597 11.988 1.00 30.21 C ATOM 1038 OE1 GLU A 64 -6.112 -13.144 12.788 1.00 1.25 O ATOM 1039 OE2 GLU A 64 -7.255 -13.163 10.935 1.00 12.10 O ATOM 0 H GLU A 64 -7.543 -9.127 14.069 1.00 51.41 H new ATOM 0 HA GLU A 64 -5.939 -7.983 12.062 1.00 31.13 H new ATOM 0 HB2 GLU A 64 -5.783 -10.274 11.180 1.00 23.14 H new ATOM 0 HB3 GLU A 64 -5.561 -10.242 12.918 1.00 23.14 H new ATOM 0 HG2 GLU A 64 -7.781 -11.143 13.302 1.00 11.41 H new ATOM 0 HG3 GLU A 64 -8.220 -10.945 11.617 1.00 11.41 H new ATOM 1046 N GLU A 65 -9.069 -8.480 11.253 1.00 62.43 N ATOM 1047 CA GLU A 65 -10.119 -8.127 10.288 1.00 11.42 C ATOM 1048 C GLU A 65 -9.875 -6.715 9.733 1.00 13.42 C ATOM 1049 O GLU A 65 -9.657 -6.538 8.535 1.00 34.10 O ATOM 1050 CB GLU A 65 -11.505 -8.172 10.966 1.00 21.30 C ATOM 1051 CG GLU A 65 -12.689 -7.876 10.017 1.00 54.34 C ATOM 1052 CD GLU A 65 -13.921 -7.347 10.753 1.00 64.41 C ATOM 1053 OE1 GLU A 65 -14.011 -6.119 10.941 1.00 60.14 O ATOM 1054 OE2 GLU A 65 -14.798 -8.137 11.146 1.00 64.23 O ATOM 0 H GLU A 65 -9.433 -8.804 12.149 1.00 62.43 H new ATOM 0 HA GLU A 65 -10.092 -8.849 9.471 1.00 11.42 H new ATOM 0 HB2 GLU A 65 -11.648 -9.158 11.409 1.00 21.30 H new ATOM 0 HB3 GLU A 65 -11.520 -7.450 11.783 1.00 21.30 H new ATOM 0 HG2 GLU A 65 -12.376 -7.146 9.270 1.00 54.34 H new ATOM 0 HG3 GLU A 65 -12.955 -8.787 9.481 1.00 54.34 H new ATOM 1061 N LYS A 66 -9.789 -5.753 10.664 1.00 31.01 N ATOM 1062 CA LYS A 66 -9.708 -4.320 10.356 1.00 4.22 C ATOM 1063 C LYS A 66 -8.376 -4.012 9.677 1.00 5.35 C ATOM 1064 O LYS A 66 -8.336 -3.314 8.666 1.00 1.14 O ATOM 1065 CB LYS A 66 -9.846 -3.473 11.658 1.00 44.14 C ATOM 1066 CG LYS A 66 -10.897 -4.009 12.658 1.00 44.13 C ATOM 1067 CD LYS A 66 -11.041 -3.126 13.917 1.00 61.42 C ATOM 1068 CE LYS A 66 -11.792 -1.820 13.646 1.00 64.33 C ATOM 1069 NZ LYS A 66 -13.202 -2.076 13.230 1.00 53.43 N ATOM 0 H LYS A 66 -9.774 -5.953 11.664 1.00 31.01 H new ATOM 0 HA LYS A 66 -10.525 -4.061 9.683 1.00 4.22 H new ATOM 0 HB2 LYS A 66 -8.877 -3.432 12.155 1.00 44.14 H new ATOM 0 HB3 LYS A 66 -10.109 -2.451 11.386 1.00 44.14 H new ATOM 0 HG2 LYS A 66 -11.863 -4.079 12.158 1.00 44.13 H new ATOM 0 HG3 LYS A 66 -10.621 -5.019 12.960 1.00 44.13 H new ATOM 0 HD2 LYS A 66 -11.566 -3.687 14.690 1.00 61.42 H new ATOM 0 HD3 LYS A 66 -10.050 -2.895 14.308 1.00 61.42 H new ATOM 0 HE2 LYS A 66 -11.783 -1.201 14.543 1.00 64.33 H new ATOM 0 HE3 LYS A 66 -11.278 -1.258 12.866 1.00 64.33 H new ATOM 0 HZ1 LYS A 66 -13.316 -1.836 12.225 1.00 53.43 H new ATOM 0 HZ2 LYS A 66 -13.429 -3.081 13.374 1.00 53.43 H new ATOM 0 HZ3 LYS A 66 -13.844 -1.490 13.801 1.00 53.43 H new ATOM 1083 N ALA A 67 -7.303 -4.587 10.248 1.00 54.50 N ATOM 1084 CA ALA A 67 -5.927 -4.392 9.781 1.00 63.23 C ATOM 1085 C ALA A 67 -5.743 -4.839 8.320 1.00 4.32 C ATOM 1086 O ALA A 67 -5.286 -4.058 7.482 1.00 51.21 O ATOM 1087 CB ALA A 67 -4.967 -5.139 10.706 1.00 2.01 C ATOM 0 H ALA A 67 -7.372 -5.206 11.055 1.00 54.50 H new ATOM 0 HA ALA A 67 -5.704 -3.325 9.811 1.00 63.23 H new ATOM 0 HB1 ALA A 67 -3.943 -4.995 10.361 1.00 2.01 H new ATOM 0 HB2 ALA A 67 -5.065 -4.753 11.721 1.00 2.01 H new ATOM 0 HB3 ALA A 67 -5.207 -6.202 10.698 1.00 2.01 H new ATOM 1093 N LYS A 68 -6.144 -6.092 8.028 1.00 25.43 N ATOM 1094 CA LYS A 68 -6.012 -6.684 6.683 1.00 75.04 C ATOM 1095 C LYS A 68 -6.971 -6.021 5.665 1.00 32.22 C ATOM 1096 O LYS A 68 -6.695 -6.033 4.458 1.00 4.23 O ATOM 1097 CB LYS A 68 -6.243 -8.219 6.737 1.00 64.31 C ATOM 1098 CG LYS A 68 -5.243 -9.005 7.631 1.00 62.32 C ATOM 1099 CD LYS A 68 -3.782 -8.984 7.117 1.00 41.31 C ATOM 1100 CE LYS A 68 -3.626 -9.600 5.711 1.00 44.20 C ATOM 1101 NZ LYS A 68 -4.115 -11.003 5.651 1.00 21.13 N ATOM 0 H LYS A 68 -6.566 -6.718 8.714 1.00 25.43 H new ATOM 0 HA LYS A 68 -4.994 -6.496 6.341 1.00 75.04 H new ATOM 0 HB2 LYS A 68 -7.254 -8.406 7.098 1.00 64.31 H new ATOM 0 HB3 LYS A 68 -6.189 -8.615 5.723 1.00 64.31 H new ATOM 0 HG2 LYS A 68 -5.268 -8.589 8.638 1.00 62.32 H new ATOM 0 HG3 LYS A 68 -5.576 -10.040 7.706 1.00 62.32 H new ATOM 0 HD2 LYS A 68 -3.425 -7.954 7.098 1.00 41.31 H new ATOM 0 HD3 LYS A 68 -3.149 -9.528 7.818 1.00 41.31 H new ATOM 0 HE2 LYS A 68 -4.175 -8.995 4.989 1.00 44.20 H new ATOM 0 HE3 LYS A 68 -2.576 -9.571 5.419 1.00 44.20 H new ATOM 0 HZ1 LYS A 68 -3.912 -11.401 4.712 1.00 21.13 H new ATOM 0 HZ2 LYS A 68 -3.634 -11.570 6.379 1.00 21.13 H new ATOM 0 HZ3 LYS A 68 -5.141 -11.021 5.820 1.00 21.13 H new ATOM 1115 N SER A 69 -8.091 -5.443 6.162 1.00 61.03 N ATOM 1116 CA SER A 69 -9.036 -4.687 5.319 1.00 54.05 C ATOM 1117 C SER A 69 -8.399 -3.377 4.832 1.00 43.33 C ATOM 1118 O SER A 69 -8.513 -3.033 3.664 1.00 23.34 O ATOM 1119 CB SER A 69 -10.336 -4.394 6.091 1.00 3.31 C ATOM 1120 OG SER A 69 -11.017 -5.597 6.426 1.00 12.40 O ATOM 0 H SER A 69 -8.358 -5.489 7.145 1.00 61.03 H new ATOM 0 HA SER A 69 -9.279 -5.297 4.449 1.00 54.05 H new ATOM 0 HB2 SER A 69 -10.105 -3.838 7.000 1.00 3.31 H new ATOM 0 HB3 SER A 69 -10.986 -3.761 5.487 1.00 3.31 H new ATOM 0 HG SER A 69 -10.458 -6.133 7.026 1.00 12.40 H new ATOM 1126 N ILE A 70 -7.703 -2.676 5.747 1.00 63.53 N ATOM 1127 CA ILE A 70 -6.974 -1.430 5.431 1.00 4.23 C ATOM 1128 C ILE A 70 -5.866 -1.701 4.391 1.00 61.20 C ATOM 1129 O ILE A 70 -5.677 -0.914 3.462 1.00 42.03 O ATOM 1130 CB ILE A 70 -6.367 -0.801 6.735 1.00 74.54 C ATOM 1131 CG1 ILE A 70 -7.513 -0.408 7.723 1.00 32.03 C ATOM 1132 CG2 ILE A 70 -5.456 0.414 6.419 1.00 71.44 C ATOM 1133 CD1 ILE A 70 -7.036 0.008 9.098 1.00 31.04 C ATOM 0 H ILE A 70 -7.629 -2.956 6.725 1.00 63.53 H new ATOM 0 HA ILE A 70 -7.679 -0.717 5.003 1.00 4.23 H new ATOM 0 HB ILE A 70 -5.737 -1.552 7.211 1.00 74.54 H new ATOM 0 HG12 ILE A 70 -8.087 0.410 7.288 1.00 32.03 H new ATOM 0 HG13 ILE A 70 -8.192 -1.254 7.828 1.00 32.03 H new ATOM 0 HG21 ILE A 70 -5.056 0.820 7.348 1.00 71.44 H new ATOM 0 HG22 ILE A 70 -4.634 0.095 5.779 1.00 71.44 H new ATOM 0 HG23 ILE A 70 -6.037 1.182 5.908 1.00 71.44 H new ATOM 0 HD11 ILE A 70 -7.895 0.264 9.719 1.00 31.04 H new ATOM 0 HD12 ILE A 70 -6.488 -0.815 9.557 1.00 31.04 H new ATOM 0 HD13 ILE A 70 -6.381 0.875 9.009 1.00 31.04 H new ATOM 1145 N ILE A 71 -5.179 -2.852 4.553 1.00 31.33 N ATOM 1146 CA ILE A 71 -4.177 -3.340 3.591 1.00 25.14 C ATOM 1147 C ILE A 71 -4.815 -3.536 2.202 1.00 54.01 C ATOM 1148 O ILE A 71 -4.252 -3.097 1.202 1.00 34.44 O ATOM 1149 CB ILE A 71 -3.529 -4.682 4.093 1.00 23.41 C ATOM 1150 CG1 ILE A 71 -2.794 -4.435 5.451 1.00 65.11 C ATOM 1151 CG2 ILE A 71 -2.581 -5.304 3.028 1.00 21.24 C ATOM 1152 CD1 ILE A 71 -2.284 -5.687 6.131 1.00 53.41 C ATOM 0 H ILE A 71 -5.306 -3.467 5.357 1.00 31.33 H new ATOM 0 HA ILE A 71 -3.389 -2.591 3.509 1.00 25.14 H new ATOM 0 HB ILE A 71 -4.324 -5.410 4.254 1.00 23.41 H new ATOM 0 HG12 ILE A 71 -1.953 -3.764 5.276 1.00 65.11 H new ATOM 0 HG13 ILE A 71 -3.475 -3.921 6.129 1.00 65.11 H new ATOM 0 HG21 ILE A 71 -2.155 -6.229 3.416 1.00 21.24 H new ATOM 0 HG22 ILE A 71 -3.144 -5.517 2.119 1.00 21.24 H new ATOM 0 HG23 ILE A 71 -1.778 -4.602 2.801 1.00 21.24 H new ATOM 0 HD11 ILE A 71 -1.789 -5.418 7.064 1.00 53.41 H new ATOM 0 HD12 ILE A 71 -3.121 -6.353 6.343 1.00 53.41 H new ATOM 0 HD13 ILE A 71 -1.574 -6.193 5.477 1.00 53.41 H new ATOM 1164 N LYS A 72 -6.020 -4.146 2.175 1.00 40.53 N ATOM 1165 CA LYS A 72 -6.767 -4.374 0.928 1.00 31.12 C ATOM 1166 C LYS A 72 -7.202 -3.045 0.280 1.00 42.51 C ATOM 1167 O LYS A 72 -7.181 -2.922 -0.941 1.00 34.00 O ATOM 1168 CB LYS A 72 -7.990 -5.295 1.175 1.00 30.23 C ATOM 1169 CG LYS A 72 -8.840 -5.618 -0.086 1.00 73.32 C ATOM 1170 CD LYS A 72 -8.037 -6.266 -1.243 1.00 14.55 C ATOM 1171 CE LYS A 72 -7.411 -7.622 -0.868 1.00 44.14 C ATOM 1172 NZ LYS A 72 -8.447 -8.616 -0.483 1.00 52.41 N ATOM 0 H LYS A 72 -6.495 -4.489 3.010 1.00 40.53 H new ATOM 0 HA LYS A 72 -6.097 -4.877 0.231 1.00 31.12 H new ATOM 0 HB2 LYS A 72 -7.638 -6.232 1.606 1.00 30.23 H new ATOM 0 HB3 LYS A 72 -8.635 -4.825 1.918 1.00 30.23 H new ATOM 0 HG2 LYS A 72 -9.652 -6.288 0.198 1.00 73.32 H new ATOM 0 HG3 LYS A 72 -9.298 -4.697 -0.447 1.00 73.32 H new ATOM 0 HD2 LYS A 72 -8.696 -6.403 -2.101 1.00 14.55 H new ATOM 0 HD3 LYS A 72 -7.247 -5.583 -1.554 1.00 14.55 H new ATOM 0 HE2 LYS A 72 -6.836 -8.003 -1.712 1.00 44.14 H new ATOM 0 HE3 LYS A 72 -6.713 -7.485 -0.042 1.00 44.14 H new ATOM 0 HZ1 LYS A 72 -7.998 -9.540 -0.319 1.00 52.41 H new ATOM 0 HZ2 LYS A 72 -8.922 -8.303 0.387 1.00 52.41 H new ATOM 0 HZ3 LYS A 72 -9.147 -8.702 -1.248 1.00 52.41 H new ATOM 1186 N LEU A 73 -7.564 -2.051 1.113 1.00 54.22 N ATOM 1187 CA LEU A 73 -7.911 -0.693 0.646 1.00 3.40 C ATOM 1188 C LEU A 73 -6.691 -0.035 -0.041 1.00 71.21 C ATOM 1189 O LEU A 73 -6.834 0.585 -1.099 1.00 33.03 O ATOM 1190 CB LEU A 73 -8.453 0.174 1.832 1.00 23.15 C ATOM 1191 CG LEU A 73 -10.011 0.164 2.072 1.00 70.54 C ATOM 1192 CD1 LEU A 73 -10.603 -1.259 2.170 1.00 3.41 C ATOM 1193 CD2 LEU A 73 -10.372 1.010 3.320 1.00 0.42 C ATOM 0 H LEU A 73 -7.624 -2.165 2.125 1.00 54.22 H new ATOM 0 HA LEU A 73 -8.708 -0.763 -0.094 1.00 3.40 H new ATOM 0 HB2 LEU A 73 -7.967 -0.163 2.748 1.00 23.15 H new ATOM 0 HB3 LEU A 73 -8.142 1.206 1.667 1.00 23.15 H new ATOM 0 HG LEU A 73 -10.468 0.618 1.193 1.00 70.54 H new ATOM 0 HD11 LEU A 73 -11.678 -1.195 2.335 1.00 3.41 H new ATOM 0 HD12 LEU A 73 -10.410 -1.798 1.243 1.00 3.41 H new ATOM 0 HD13 LEU A 73 -10.139 -1.790 3.001 1.00 3.41 H new ATOM 0 HD21 LEU A 73 -11.451 0.993 3.472 1.00 0.42 H new ATOM 0 HD22 LEU A 73 -9.876 0.595 4.197 1.00 0.42 H new ATOM 0 HD23 LEU A 73 -10.043 2.038 3.170 1.00 0.42 H new ATOM 1205 N ILE A 74 -5.493 -0.228 0.553 1.00 70.13 N ATOM 1206 CA ILE A 74 -4.218 0.230 -0.031 1.00 24.54 C ATOM 1207 C ILE A 74 -3.955 -0.495 -1.371 1.00 0.41 C ATOM 1208 O ILE A 74 -3.595 0.147 -2.349 1.00 33.02 O ATOM 1209 CB ILE A 74 -3.014 0.009 0.975 1.00 12.42 C ATOM 1210 CG1 ILE A 74 -3.255 0.819 2.296 1.00 62.42 C ATOM 1211 CG2 ILE A 74 -1.652 0.388 0.341 1.00 64.25 C ATOM 1212 CD1 ILE A 74 -2.216 0.602 3.382 1.00 30.30 C ATOM 0 H ILE A 74 -5.385 -0.705 1.448 1.00 70.13 H new ATOM 0 HA ILE A 74 -4.295 1.300 -0.222 1.00 24.54 H new ATOM 0 HB ILE A 74 -2.973 -1.054 1.213 1.00 12.42 H new ATOM 0 HG12 ILE A 74 -3.287 1.881 2.052 1.00 62.42 H new ATOM 0 HG13 ILE A 74 -4.235 0.553 2.693 1.00 62.42 H new ATOM 0 HG21 ILE A 74 -0.855 0.221 1.065 1.00 64.25 H new ATOM 0 HG22 ILE A 74 -1.477 -0.229 -0.540 1.00 64.25 H new ATOM 0 HG23 ILE A 74 -1.665 1.439 0.052 1.00 64.25 H new ATOM 0 HD11 ILE A 74 -2.470 1.204 4.254 1.00 30.30 H new ATOM 0 HD12 ILE A 74 -2.197 -0.451 3.662 1.00 30.30 H new ATOM 0 HD13 ILE A 74 -1.235 0.897 3.011 1.00 30.30 H new ATOM 1224 N GLU A 75 -4.204 -1.826 -1.398 1.00 54.22 N ATOM 1225 CA GLU A 75 -4.002 -2.680 -2.593 1.00 73.32 C ATOM 1226 C GLU A 75 -4.856 -2.202 -3.778 1.00 21.14 C ATOM 1227 O GLU A 75 -4.343 -2.053 -4.889 1.00 12.34 O ATOM 1228 CB GLU A 75 -4.344 -4.159 -2.272 1.00 52.14 C ATOM 1229 CG GLU A 75 -3.383 -4.851 -1.292 1.00 72.42 C ATOM 1230 CD GLU A 75 -3.829 -6.277 -0.948 1.00 52.10 C ATOM 1231 OE1 GLU A 75 -3.796 -7.146 -1.847 1.00 51.53 O ATOM 1232 OE2 GLU A 75 -4.241 -6.540 0.204 1.00 72.44 O ATOM 0 H GLU A 75 -4.552 -2.340 -0.588 1.00 54.22 H new ATOM 0 HA GLU A 75 -2.951 -2.604 -2.872 1.00 73.32 H new ATOM 0 HB2 GLU A 75 -5.352 -4.202 -1.860 1.00 52.14 H new ATOM 0 HB3 GLU A 75 -4.357 -4.724 -3.204 1.00 52.14 H new ATOM 0 HG2 GLU A 75 -2.384 -4.880 -1.726 1.00 72.42 H new ATOM 0 HG3 GLU A 75 -3.316 -4.263 -0.377 1.00 72.42 H new ATOM 1239 N GLU A 76 -6.153 -1.939 -3.512 1.00 33.44 N ATOM 1240 CA GLU A 76 -7.100 -1.460 -4.533 1.00 14.42 C ATOM 1241 C GLU A 76 -6.586 -0.168 -5.177 1.00 25.42 C ATOM 1242 O GLU A 76 -6.453 -0.079 -6.401 1.00 44.31 O ATOM 1243 CB GLU A 76 -8.506 -1.212 -3.920 1.00 0.12 C ATOM 1244 CG GLU A 76 -9.193 -2.461 -3.335 1.00 62.11 C ATOM 1245 CD GLU A 76 -9.347 -3.619 -4.339 1.00 12.02 C ATOM 1246 OE1 GLU A 76 -10.149 -3.494 -5.286 1.00 3.32 O ATOM 1247 OE2 GLU A 76 -8.662 -4.655 -4.193 1.00 31.14 O ATOM 0 H GLU A 76 -6.568 -2.053 -2.587 1.00 33.44 H new ATOM 0 HA GLU A 76 -7.184 -2.234 -5.296 1.00 14.42 H new ATOM 0 HB2 GLU A 76 -8.415 -0.464 -3.133 1.00 0.12 H new ATOM 0 HB3 GLU A 76 -9.151 -0.788 -4.689 1.00 0.12 H new ATOM 0 HG2 GLU A 76 -8.618 -2.811 -2.477 1.00 62.11 H new ATOM 0 HG3 GLU A 76 -10.179 -2.181 -2.965 1.00 62.11 H new ATOM 1254 N ARG A 77 -6.238 0.789 -4.309 1.00 22.02 N ATOM 1255 CA ARG A 77 -5.820 2.132 -4.697 1.00 13.02 C ATOM 1256 C ARG A 77 -4.487 2.111 -5.485 1.00 24.10 C ATOM 1257 O ARG A 77 -4.450 2.539 -6.648 1.00 11.32 O ATOM 1258 CB ARG A 77 -5.676 2.988 -3.417 1.00 25.01 C ATOM 1259 CG ARG A 77 -6.977 3.267 -2.626 1.00 32.52 C ATOM 1260 CD ARG A 77 -7.858 4.383 -3.230 1.00 31.41 C ATOM 1261 NE ARG A 77 -8.949 3.858 -4.068 1.00 14.11 N ATOM 1262 CZ ARG A 77 -10.262 3.947 -3.770 1.00 2.21 C ATOM 1263 NH1 ARG A 77 -10.672 4.545 -2.652 1.00 14.00 N ATOM 1264 NH2 ARG A 77 -11.161 3.437 -4.591 1.00 12.42 N ATOM 0 H ARG A 77 -6.241 0.644 -3.299 1.00 22.02 H new ATOM 0 HA ARG A 77 -6.573 2.562 -5.357 1.00 13.02 H new ATOM 0 HB2 ARG A 77 -4.971 2.491 -2.751 1.00 25.01 H new ATOM 0 HB3 ARG A 77 -5.233 3.944 -3.694 1.00 25.01 H new ATOM 0 HG2 ARG A 77 -7.561 2.348 -2.572 1.00 32.52 H new ATOM 0 HG3 ARG A 77 -6.716 3.539 -1.603 1.00 32.52 H new ATOM 0 HD2 ARG A 77 -8.281 4.982 -2.424 1.00 31.41 H new ATOM 0 HD3 ARG A 77 -7.235 5.048 -3.828 1.00 31.41 H new ATOM 0 HE ARG A 77 -8.693 3.392 -4.939 1.00 14.11 H new ATOM 0 HH11 ARG A 77 -9.990 4.944 -2.007 1.00 14.00 H new ATOM 0 HH12 ARG A 77 -11.668 4.604 -2.441 1.00 14.00 H new ATOM 0 HH21 ARG A 77 -10.863 2.976 -5.451 1.00 12.42 H new ATOM 0 HH22 ARG A 77 -12.154 3.504 -4.366 1.00 12.42 H new ATOM 1278 N ILE A 78 -3.405 1.591 -4.841 1.00 71.12 N ATOM 1279 CA ILE A 78 -2.036 1.658 -5.402 1.00 24.31 C ATOM 1280 C ILE A 78 -1.922 0.848 -6.702 1.00 71.21 C ATOM 1281 O ILE A 78 -1.356 1.339 -7.675 1.00 73.33 O ATOM 1282 CB ILE A 78 -0.900 1.204 -4.384 1.00 60.41 C ATOM 1283 CG1 ILE A 78 -0.988 -0.319 -4.030 1.00 5.04 C ATOM 1284 CG2 ILE A 78 -0.935 2.067 -3.100 1.00 13.32 C ATOM 1285 CD1 ILE A 78 0.128 -0.841 -3.140 1.00 55.23 C ATOM 0 H ILE A 78 -3.460 1.123 -3.936 1.00 71.12 H new ATOM 0 HA ILE A 78 -1.868 2.714 -5.614 1.00 24.31 H new ATOM 0 HB ILE A 78 0.055 1.360 -4.885 1.00 60.41 H new ATOM 0 HG12 ILE A 78 -1.942 -0.507 -3.537 1.00 5.04 H new ATOM 0 HG13 ILE A 78 -0.990 -0.892 -4.957 1.00 5.04 H new ATOM 0 HG21 ILE A 78 -0.150 1.738 -2.419 1.00 13.32 H new ATOM 0 HG22 ILE A 78 -0.775 3.113 -3.360 1.00 13.32 H new ATOM 0 HG23 ILE A 78 -1.905 1.958 -2.615 1.00 13.32 H new ATOM 0 HD11 ILE A 78 -0.023 -1.904 -2.953 1.00 55.23 H new ATOM 0 HD12 ILE A 78 1.088 -0.692 -3.635 1.00 55.23 H new ATOM 0 HD13 ILE A 78 0.121 -0.301 -2.193 1.00 55.23 H new ATOM 1297 N GLU A 79 -2.509 -0.370 -6.720 1.00 65.12 N ATOM 1298 CA GLU A 79 -2.398 -1.287 -7.864 1.00 65.22 C ATOM 1299 C GLU A 79 -3.200 -0.752 -9.048 1.00 23.23 C ATOM 1300 O GLU A 79 -2.743 -0.864 -10.183 1.00 32.41 O ATOM 1301 CB GLU A 79 -2.829 -2.723 -7.453 1.00 12.22 C ATOM 1302 CG GLU A 79 -2.680 -3.830 -8.538 1.00 21.11 C ATOM 1303 CD GLU A 79 -3.834 -3.911 -9.545 1.00 75.05 C ATOM 1304 OE1 GLU A 79 -5.010 -3.861 -9.124 1.00 64.31 O ATOM 1305 OE2 GLU A 79 -3.580 -4.024 -10.756 1.00 45.22 O ATOM 0 H GLU A 79 -3.066 -0.737 -5.948 1.00 65.12 H new ATOM 0 HA GLU A 79 -1.357 -1.347 -8.181 1.00 65.22 H new ATOM 0 HB2 GLU A 79 -2.245 -3.018 -6.582 1.00 12.22 H new ATOM 0 HB3 GLU A 79 -3.873 -2.690 -7.140 1.00 12.22 H new ATOM 0 HG2 GLU A 79 -1.752 -3.659 -9.084 1.00 21.11 H new ATOM 0 HG3 GLU A 79 -2.584 -4.795 -8.040 1.00 21.11 H new ATOM 1312 N GLU A 80 -4.390 -0.149 -8.772 1.00 50.14 N ATOM 1313 CA GLU A 80 -5.194 0.510 -9.814 1.00 32.13 C ATOM 1314 C GLU A 80 -4.358 1.582 -10.521 1.00 23.22 C ATOM 1315 O GLU A 80 -4.117 1.495 -11.733 1.00 65.30 O ATOM 1316 CB GLU A 80 -6.473 1.142 -9.209 1.00 44.03 C ATOM 1317 CG GLU A 80 -7.378 1.894 -10.211 1.00 54.43 C ATOM 1318 CD GLU A 80 -7.888 1.007 -11.363 1.00 73.21 C ATOM 1319 OE1 GLU A 80 -8.717 0.108 -11.109 1.00 72.32 O ATOM 1320 OE2 GLU A 80 -7.472 1.211 -12.527 1.00 1.23 O ATOM 0 H GLU A 80 -4.802 -0.111 -7.840 1.00 50.14 H new ATOM 0 HA GLU A 80 -5.498 -0.243 -10.541 1.00 32.13 H new ATOM 0 HB2 GLU A 80 -7.059 0.354 -8.737 1.00 44.03 H new ATOM 0 HB3 GLU A 80 -6.178 1.835 -8.421 1.00 44.03 H new ATOM 0 HG2 GLU A 80 -8.233 2.309 -9.676 1.00 54.43 H new ATOM 0 HG3 GLU A 80 -6.824 2.735 -10.628 1.00 54.43 H new ATOM 1327 N GLU A 81 -3.843 2.531 -9.711 1.00 70.13 N ATOM 1328 CA GLU A 81 -3.079 3.681 -10.200 1.00 41.14 C ATOM 1329 C GLU A 81 -1.841 3.251 -10.990 1.00 33.30 C ATOM 1330 O GLU A 81 -1.593 3.771 -12.075 1.00 33.43 O ATOM 1331 CB GLU A 81 -2.676 4.609 -9.036 1.00 21.01 C ATOM 1332 CG GLU A 81 -3.863 5.298 -8.344 1.00 23.22 C ATOM 1333 CD GLU A 81 -4.755 6.101 -9.313 1.00 3.00 C ATOM 1334 OE1 GLU A 81 -4.251 7.055 -9.945 1.00 41.10 O ATOM 1335 OE2 GLU A 81 -5.961 5.800 -9.435 1.00 52.14 O ATOM 0 H GLU A 81 -3.950 2.514 -8.697 1.00 70.13 H new ATOM 0 HA GLU A 81 -3.730 4.232 -10.879 1.00 41.14 H new ATOM 0 HB2 GLU A 81 -2.125 4.028 -8.296 1.00 21.01 H new ATOM 0 HB3 GLU A 81 -1.996 5.373 -9.413 1.00 21.01 H new ATOM 0 HG2 GLU A 81 -4.470 4.544 -7.844 1.00 23.22 H new ATOM 0 HG3 GLU A 81 -3.485 5.967 -7.571 1.00 23.22 H new ATOM 1342 N LEU A 82 -1.106 2.272 -10.455 1.00 11.24 N ATOM 1343 CA LEU A 82 0.081 1.701 -11.111 1.00 65.41 C ATOM 1344 C LEU A 82 -0.281 1.118 -12.484 1.00 42.23 C ATOM 1345 O LEU A 82 0.342 1.453 -13.486 1.00 4.42 O ATOM 1346 CB LEU A 82 0.704 0.596 -10.214 1.00 22.44 C ATOM 1347 CG LEU A 82 1.470 1.089 -8.958 1.00 52.30 C ATOM 1348 CD1 LEU A 82 1.923 -0.108 -8.089 1.00 54.32 C ATOM 1349 CD2 LEU A 82 2.652 1.991 -9.370 1.00 20.14 C ATOM 0 H LEU A 82 -1.316 1.849 -9.551 1.00 11.24 H new ATOM 0 HA LEU A 82 0.809 2.499 -11.257 1.00 65.41 H new ATOM 0 HB2 LEU A 82 -0.093 -0.073 -9.889 1.00 22.44 H new ATOM 0 HB3 LEU A 82 1.388 0.005 -10.823 1.00 22.44 H new ATOM 0 HG LEU A 82 0.798 1.691 -8.346 1.00 52.30 H new ATOM 0 HD11 LEU A 82 2.458 0.260 -7.214 1.00 54.32 H new ATOM 0 HD12 LEU A 82 1.050 -0.676 -7.768 1.00 54.32 H new ATOM 0 HD13 LEU A 82 2.581 -0.753 -8.672 1.00 54.32 H new ATOM 0 HD21 LEU A 82 3.180 2.329 -8.478 1.00 20.14 H new ATOM 0 HD22 LEU A 82 3.336 1.427 -10.005 1.00 20.14 H new ATOM 0 HD23 LEU A 82 2.277 2.855 -9.919 1.00 20.14 H new ATOM 1361 N ARG A 83 -1.363 0.320 -12.508 1.00 11.54 N ATOM 1362 CA ARG A 83 -1.772 -0.457 -13.690 1.00 42.31 C ATOM 1363 C ARG A 83 -2.241 0.467 -14.845 1.00 30.11 C ATOM 1364 O ARG A 83 -2.096 0.114 -16.019 1.00 1.15 O ATOM 1365 CB ARG A 83 -2.903 -1.442 -13.293 1.00 13.12 C ATOM 1366 CG ARG A 83 -3.135 -2.594 -14.291 1.00 55.21 C ATOM 1367 CD ARG A 83 -4.363 -3.455 -13.931 1.00 70.04 C ATOM 1368 NE ARG A 83 -5.641 -2.702 -13.985 1.00 33.22 N ATOM 1369 CZ ARG A 83 -6.379 -2.330 -12.914 1.00 30.03 C ATOM 1370 NH1 ARG A 83 -5.978 -2.592 -11.665 1.00 15.43 N ATOM 1371 NH2 ARG A 83 -7.535 -1.729 -13.096 1.00 23.12 N ATOM 0 H ARG A 83 -1.980 0.196 -11.705 1.00 11.54 H new ATOM 0 HA ARG A 83 -0.909 -1.016 -14.050 1.00 42.31 H new ATOM 0 HB2 ARG A 83 -2.670 -1.867 -12.317 1.00 13.12 H new ATOM 0 HB3 ARG A 83 -3.832 -0.882 -13.183 1.00 13.12 H new ATOM 0 HG2 ARG A 83 -3.266 -2.182 -15.291 1.00 55.21 H new ATOM 0 HG3 ARG A 83 -2.248 -3.227 -14.321 1.00 55.21 H new ATOM 0 HD2 ARG A 83 -4.418 -4.302 -14.615 1.00 70.04 H new ATOM 0 HD3 ARG A 83 -4.231 -3.863 -12.929 1.00 70.04 H new ATOM 0 HE ARG A 83 -5.992 -2.443 -14.907 1.00 33.22 H new ATOM 0 HH11 ARG A 83 -5.098 -3.082 -11.504 1.00 15.43 H new ATOM 0 HH12 ARG A 83 -6.552 -2.301 -10.874 1.00 15.43 H new ATOM 0 HH21 ARG A 83 -7.871 -1.545 -14.041 1.00 23.12 H new ATOM 0 HH22 ARG A 83 -8.095 -1.447 -12.292 1.00 23.12 H new ATOM 1385 N LYS A 84 -2.788 1.651 -14.470 1.00 11.53 N ATOM 1386 CA LYS A 84 -3.328 2.665 -15.414 1.00 72.04 C ATOM 1387 C LYS A 84 -2.295 3.119 -16.467 1.00 33.53 C ATOM 1388 O LYS A 84 -2.625 3.231 -17.650 1.00 53.04 O ATOM 1389 CB LYS A 84 -3.857 3.909 -14.635 1.00 11.01 C ATOM 1390 CG LYS A 84 -5.121 3.629 -13.792 1.00 64.43 C ATOM 1391 CD LYS A 84 -5.526 4.801 -12.867 1.00 34.05 C ATOM 1392 CE LYS A 84 -5.948 6.069 -13.622 1.00 24.13 C ATOM 1393 NZ LYS A 84 -7.154 5.841 -14.462 1.00 24.13 N ATOM 0 H LYS A 84 -2.868 1.932 -13.493 1.00 11.53 H new ATOM 0 HA LYS A 84 -4.146 2.182 -15.947 1.00 72.04 H new ATOM 0 HB2 LYS A 84 -3.068 4.277 -13.978 1.00 11.01 H new ATOM 0 HB3 LYS A 84 -4.076 4.705 -15.347 1.00 11.01 H new ATOM 0 HG2 LYS A 84 -5.951 3.404 -14.462 1.00 64.43 H new ATOM 0 HG3 LYS A 84 -4.952 2.740 -13.184 1.00 64.43 H new ATOM 0 HD2 LYS A 84 -6.348 4.480 -12.228 1.00 34.05 H new ATOM 0 HD3 LYS A 84 -4.688 5.041 -12.212 1.00 34.05 H new ATOM 0 HE2 LYS A 84 -6.150 6.867 -12.907 1.00 24.13 H new ATOM 0 HE3 LYS A 84 -5.125 6.406 -14.252 1.00 24.13 H new ATOM 0 HZ1 LYS A 84 -7.466 6.743 -14.874 1.00 24.13 H new ATOM 0 HZ2 LYS A 84 -6.924 5.173 -15.225 1.00 24.13 H new ATOM 0 HZ3 LYS A 84 -7.917 5.447 -13.875 1.00 24.13 H new ATOM 1407 N ARG A 85 -1.052 3.374 -16.023 1.00 62.30 N ATOM 1408 CA ARG A 85 0.022 3.905 -16.899 1.00 42.33 C ATOM 1409 C ARG A 85 1.169 2.897 -17.058 1.00 34.05 C ATOM 1410 O ARG A 85 1.894 2.939 -18.057 1.00 52.43 O ATOM 1411 CB ARG A 85 0.585 5.271 -16.392 1.00 30.25 C ATOM 1412 CG ARG A 85 1.188 5.291 -14.964 1.00 22.14 C ATOM 1413 CD ARG A 85 0.121 5.446 -13.871 1.00 42.23 C ATOM 1414 NE ARG A 85 -0.670 6.680 -14.045 1.00 24.13 N ATOM 1415 CZ ARG A 85 -1.626 7.142 -13.210 1.00 52.04 C ATOM 1416 NH1 ARG A 85 -1.953 6.494 -12.090 1.00 74.21 N ATOM 1417 NH2 ARG A 85 -2.266 8.260 -13.524 1.00 11.13 N ATOM 0 H ARG A 85 -0.759 3.222 -15.058 1.00 62.30 H new ATOM 0 HA ARG A 85 -0.439 4.073 -17.872 1.00 42.33 H new ATOM 0 HB2 ARG A 85 1.354 5.602 -17.090 1.00 30.25 H new ATOM 0 HB3 ARG A 85 -0.219 6.006 -16.432 1.00 30.25 H new ATOM 0 HG2 ARG A 85 1.743 4.368 -14.796 1.00 22.14 H new ATOM 0 HG3 ARG A 85 1.902 6.111 -14.887 1.00 22.14 H new ATOM 0 HD2 ARG A 85 -0.544 4.583 -13.888 1.00 42.23 H new ATOM 0 HD3 ARG A 85 0.602 5.458 -12.893 1.00 42.23 H new ATOM 0 HE ARG A 85 -0.476 7.238 -14.876 1.00 24.13 H new ATOM 0 HH11 ARG A 85 -1.477 5.626 -11.846 1.00 74.21 H new ATOM 0 HH12 ARG A 85 -2.679 6.867 -11.478 1.00 74.21 H new ATOM 0 HH21 ARG A 85 -2.033 8.756 -14.384 1.00 11.13 H new ATOM 0 HH22 ARG A 85 -2.991 8.624 -12.905 1.00 11.13 H new ATOM 1431 N ASP A 86 1.331 1.999 -16.078 1.00 50.32 N ATOM 1432 CA ASP A 86 2.444 1.028 -16.052 1.00 33.35 C ATOM 1433 C ASP A 86 1.842 -0.391 -15.988 1.00 64.21 C ATOM 1434 O ASP A 86 1.522 -0.883 -14.898 1.00 31.41 O ATOM 1435 CB ASP A 86 3.397 1.305 -14.840 1.00 4.02 C ATOM 1436 CG ASP A 86 4.785 0.641 -14.985 1.00 23.44 C ATOM 1437 OD1 ASP A 86 4.897 -0.594 -14.860 1.00 42.11 O ATOM 1438 OD2 ASP A 86 5.774 1.362 -15.234 1.00 32.34 O ATOM 0 H ASP A 86 0.699 1.921 -15.281 1.00 50.32 H new ATOM 0 HA ASP A 86 3.049 1.125 -16.953 1.00 33.35 H new ATOM 0 HB2 ASP A 86 3.527 2.381 -14.729 1.00 4.02 H new ATOM 0 HB3 ASP A 86 2.924 0.945 -13.926 1.00 4.02 H new ATOM 1443 N PRO A 87 1.637 -1.066 -17.169 1.00 14.22 N ATOM 1444 CA PRO A 87 1.068 -2.443 -17.217 1.00 40.53 C ATOM 1445 C PRO A 87 2.036 -3.512 -16.650 1.00 33.23 C ATOM 1446 O PRO A 87 1.626 -4.633 -16.326 1.00 25.50 O ATOM 1447 CB PRO A 87 0.794 -2.670 -18.736 1.00 41.55 C ATOM 1448 CG PRO A 87 0.888 -1.304 -19.364 1.00 10.41 C ATOM 1449 CD PRO A 87 1.900 -0.550 -18.541 1.00 63.21 C ATOM 0 HA PRO A 87 0.175 -2.538 -16.599 1.00 40.53 H new ATOM 0 HB2 PRO A 87 1.524 -3.354 -19.170 1.00 41.55 H new ATOM 0 HB3 PRO A 87 -0.190 -3.110 -18.897 1.00 41.55 H new ATOM 0 HG2 PRO A 87 1.202 -1.372 -20.406 1.00 10.41 H new ATOM 0 HG3 PRO A 87 -0.079 -0.801 -19.355 1.00 10.41 H new ATOM 0 HD2 PRO A 87 2.921 -0.754 -18.864 1.00 63.21 H new ATOM 0 HD3 PRO A 87 1.755 0.528 -18.605 1.00 63.21 H new ATOM 1457 N ASN A 88 3.322 -3.133 -16.537 1.00 34.51 N ATOM 1458 CA ASN A 88 4.390 -4.012 -16.041 1.00 51.43 C ATOM 1459 C ASN A 88 4.446 -4.011 -14.509 1.00 1.54 C ATOM 1460 O ASN A 88 5.177 -4.817 -13.934 1.00 15.22 O ATOM 1461 CB ASN A 88 5.757 -3.576 -16.622 1.00 61.23 C ATOM 1462 CG ASN A 88 5.790 -3.592 -18.155 1.00 43.31 C ATOM 1463 OD1 ASN A 88 5.414 -2.617 -18.803 1.00 23.11 O ATOM 1464 ND2 ASN A 88 6.235 -4.689 -18.746 1.00 12.31 N ATOM 0 H ASN A 88 3.649 -2.200 -16.790 1.00 34.51 H new ATOM 0 HA ASN A 88 4.168 -5.027 -16.371 1.00 51.43 H new ATOM 0 HB2 ASN A 88 5.991 -2.571 -16.270 1.00 61.23 H new ATOM 0 HB3 ASN A 88 6.535 -4.237 -16.241 1.00 61.23 H new ATOM 0 HD21 ASN A 88 6.272 -4.741 -19.764 1.00 12.31 H new ATOM 0 HD22 ASN A 88 6.541 -5.483 -18.184 1.00 12.31 H new ATOM 1471 N ALA A 89 3.678 -3.103 -13.864 1.00 74.33 N ATOM 1472 CA ALA A 89 3.635 -2.978 -12.406 1.00 43.42 C ATOM 1473 C ALA A 89 2.948 -4.195 -11.766 1.00 1.10 C ATOM 1474 O ALA A 89 1.746 -4.185 -11.477 1.00 74.14 O ATOM 1475 CB ALA A 89 2.969 -1.649 -12.008 1.00 30.52 C ATOM 0 H ALA A 89 3.073 -2.440 -14.349 1.00 74.33 H new ATOM 0 HA ALA A 89 4.655 -2.962 -12.021 1.00 43.42 H new ATOM 0 HB1 ALA A 89 2.942 -1.566 -10.921 1.00 30.52 H new ATOM 0 HB2 ALA A 89 3.540 -0.818 -12.421 1.00 30.52 H new ATOM 0 HB3 ALA A 89 1.952 -1.620 -12.399 1.00 30.52 H new ATOM 1481 N THR A 90 3.741 -5.261 -11.610 1.00 35.20 N ATOM 1482 CA THR A 90 3.327 -6.524 -11.022 1.00 61.22 C ATOM 1483 C THR A 90 3.654 -6.507 -9.528 1.00 11.33 C ATOM 1484 O THR A 90 4.826 -6.481 -9.137 1.00 42.13 O ATOM 1485 CB THR A 90 4.073 -7.690 -11.733 1.00 63.03 C ATOM 1486 OG1 THR A 90 3.868 -7.585 -13.149 1.00 40.00 O ATOM 1487 CG2 THR A 90 3.607 -9.075 -11.261 1.00 33.14 C ATOM 0 H THR A 90 4.719 -5.260 -11.901 1.00 35.20 H new ATOM 0 HA THR A 90 2.254 -6.668 -11.149 1.00 61.22 H new ATOM 0 HB THR A 90 5.129 -7.599 -11.479 1.00 63.03 H new ATOM 0 HG1 THR A 90 4.344 -6.800 -13.491 1.00 40.00 H new ATOM 0 HG21 THR A 90 4.163 -9.847 -11.793 1.00 33.14 H new ATOM 0 HG22 THR A 90 3.784 -9.173 -10.190 1.00 33.14 H new ATOM 0 HG23 THR A 90 2.542 -9.190 -11.465 1.00 33.14 H new ATOM 1495 N ILE A 91 2.613 -6.478 -8.705 1.00 34.31 N ATOM 1496 CA ILE A 91 2.756 -6.405 -7.247 1.00 22.33 C ATOM 1497 C ILE A 91 2.682 -7.823 -6.661 1.00 43.44 C ATOM 1498 O ILE A 91 1.874 -8.652 -7.110 1.00 1.32 O ATOM 1499 CB ILE A 91 1.679 -5.446 -6.574 1.00 65.34 C ATOM 1500 CG1 ILE A 91 0.235 -6.062 -6.489 1.00 32.33 C ATOM 1501 CG2 ILE A 91 1.629 -4.082 -7.308 1.00 14.45 C ATOM 1502 CD1 ILE A 91 -0.415 -6.420 -7.820 1.00 63.12 C ATOM 0 H ILE A 91 1.645 -6.504 -9.024 1.00 34.31 H new ATOM 0 HA ILE A 91 3.729 -5.967 -7.023 1.00 22.33 H new ATOM 0 HB ILE A 91 2.013 -5.307 -5.546 1.00 65.34 H new ATOM 0 HG12 ILE A 91 0.280 -6.962 -5.875 1.00 32.33 H new ATOM 0 HG13 ILE A 91 -0.411 -5.354 -5.970 1.00 32.33 H new ATOM 0 HG21 ILE A 91 0.887 -3.440 -6.833 1.00 14.45 H new ATOM 0 HG22 ILE A 91 2.608 -3.605 -7.256 1.00 14.45 H new ATOM 0 HG23 ILE A 91 1.357 -4.240 -8.352 1.00 14.45 H new ATOM 0 HD11 ILE A 91 -1.406 -6.836 -7.641 1.00 63.12 H new ATOM 0 HD12 ILE A 91 -0.503 -5.524 -8.435 1.00 63.12 H new ATOM 0 HD13 ILE A 91 0.199 -7.157 -8.338 1.00 63.12 H new ATOM 1514 N THR A 92 3.563 -8.119 -5.711 1.00 41.52 N ATOM 1515 CA THR A 92 3.537 -9.378 -4.961 1.00 4.12 C ATOM 1516 C THR A 92 3.360 -9.034 -3.482 1.00 31.23 C ATOM 1517 O THR A 92 4.305 -8.595 -2.829 1.00 35.30 O ATOM 1518 CB THR A 92 4.864 -10.193 -5.177 1.00 54.34 C ATOM 1519 OG1 THR A 92 5.105 -10.341 -6.582 1.00 42.40 O ATOM 1520 CG2 THR A 92 4.801 -11.588 -4.518 1.00 32.45 C ATOM 0 H THR A 92 4.319 -7.493 -5.436 1.00 41.52 H new ATOM 0 HA THR A 92 2.715 -10.001 -5.312 1.00 4.12 H new ATOM 0 HB THR A 92 5.676 -9.640 -4.705 1.00 54.34 H new ATOM 0 HG1 THR A 92 5.933 -10.847 -6.720 1.00 42.40 H new ATOM 0 HG21 THR A 92 5.739 -12.116 -4.693 1.00 32.45 H new ATOM 0 HG22 THR A 92 4.641 -11.477 -3.445 1.00 32.45 H new ATOM 0 HG23 THR A 92 3.978 -12.158 -4.950 1.00 32.45 H new ATOM 1528 N ARG A 93 2.146 -9.225 -2.964 1.00 50.52 N ATOM 1529 CA ARG A 93 1.804 -8.850 -1.591 1.00 14.24 C ATOM 1530 C ARG A 93 1.866 -10.115 -0.725 1.00 31.43 C ATOM 1531 O ARG A 93 0.987 -10.975 -0.811 1.00 11.24 O ATOM 1532 CB ARG A 93 0.409 -8.141 -1.565 1.00 24.14 C ATOM 1533 CG ARG A 93 -0.045 -7.585 -0.178 1.00 13.33 C ATOM 1534 CD ARG A 93 -0.888 -8.580 0.632 1.00 74.31 C ATOM 1535 NE ARG A 93 -2.143 -8.872 -0.059 1.00 53.02 N ATOM 1536 CZ ARG A 93 -3.040 -9.794 0.280 1.00 2.11 C ATOM 1537 NH1 ARG A 93 -2.863 -10.594 1.334 1.00 3.02 N ATOM 1538 NH2 ARG A 93 -4.148 -9.896 -0.444 1.00 51.32 N ATOM 0 H ARG A 93 1.374 -9.643 -3.483 1.00 50.52 H new ATOM 0 HA ARG A 93 2.512 -8.130 -1.181 1.00 14.24 H new ATOM 0 HB2 ARG A 93 0.428 -7.316 -2.277 1.00 24.14 H new ATOM 0 HB3 ARG A 93 -0.343 -8.848 -1.916 1.00 24.14 H new ATOM 0 HG2 ARG A 93 0.837 -7.311 0.401 1.00 13.33 H new ATOM 0 HG3 ARG A 93 -0.621 -6.673 -0.332 1.00 13.33 H new ATOM 0 HD2 ARG A 93 -0.327 -9.502 0.783 1.00 74.31 H new ATOM 0 HD3 ARG A 93 -1.097 -8.169 1.619 1.00 74.31 H new ATOM 0 HE ARG A 93 -2.352 -8.312 -0.885 1.00 53.02 H new ATOM 0 HH11 ARG A 93 -2.022 -10.507 1.904 1.00 3.02 H new ATOM 0 HH12 ARG A 93 -3.569 -11.292 1.569 1.00 3.02 H new ATOM 0 HH21 ARG A 93 -4.296 -9.275 -1.240 1.00 51.32 H new ATOM 0 HH22 ARG A 93 -4.851 -10.595 -0.204 1.00 51.32 H new ATOM 1552 N THR A 94 2.944 -10.238 0.058 1.00 3.03 N ATOM 1553 CA THR A 94 3.121 -11.304 1.046 1.00 33.25 C ATOM 1554 C THR A 94 3.043 -10.680 2.451 1.00 34.05 C ATOM 1555 O THR A 94 3.656 -9.633 2.686 1.00 64.23 O ATOM 1556 CB THR A 94 4.507 -11.998 0.852 1.00 22.22 C ATOM 1557 OG1 THR A 94 4.682 -12.357 -0.526 1.00 65.33 O ATOM 1558 CG2 THR A 94 4.662 -13.249 1.734 1.00 1.14 C ATOM 0 H THR A 94 3.729 -9.588 0.021 1.00 3.03 H new ATOM 0 HA THR A 94 2.341 -12.055 0.922 1.00 33.25 H new ATOM 0 HB THR A 94 5.273 -11.284 1.155 1.00 22.22 H new ATOM 0 HG1 THR A 94 5.553 -12.790 -0.643 1.00 65.33 H new ATOM 0 HG21 THR A 94 5.642 -13.696 1.563 1.00 1.14 H new ATOM 0 HG22 THR A 94 4.569 -12.968 2.783 1.00 1.14 H new ATOM 0 HG23 THR A 94 3.885 -13.971 1.482 1.00 1.14 H new ATOM 1566 N VAL A 95 2.308 -11.319 3.377 1.00 11.23 N ATOM 1567 CA VAL A 95 2.188 -10.819 4.747 1.00 10.12 C ATOM 1568 C VAL A 95 3.523 -11.080 5.485 1.00 11.30 C ATOM 1569 O VAL A 95 4.034 -12.203 5.508 1.00 60.41 O ATOM 1570 CB VAL A 95 0.946 -11.436 5.504 1.00 50.14 C ATOM 1571 CG1 VAL A 95 1.066 -12.965 5.717 1.00 21.42 C ATOM 1572 CG2 VAL A 95 0.683 -10.682 6.826 1.00 14.24 C ATOM 0 H VAL A 95 1.791 -12.180 3.197 1.00 11.23 H new ATOM 0 HA VAL A 95 1.999 -9.746 4.723 1.00 10.12 H new ATOM 0 HB VAL A 95 0.077 -11.300 4.860 1.00 50.14 H new ATOM 0 HG11 VAL A 95 0.183 -13.330 6.242 1.00 21.42 H new ATOM 0 HG12 VAL A 95 1.144 -13.462 4.750 1.00 21.42 H new ATOM 0 HG13 VAL A 95 1.955 -13.181 6.309 1.00 21.42 H new ATOM 0 HG21 VAL A 95 -0.176 -11.123 7.331 1.00 14.24 H new ATOM 0 HG22 VAL A 95 1.560 -10.758 7.469 1.00 14.24 H new ATOM 0 HG23 VAL A 95 0.479 -9.633 6.612 1.00 14.24 H new ATOM 1582 N ARG A 96 4.111 -10.007 6.027 1.00 53.52 N ATOM 1583 CA ARG A 96 5.470 -10.031 6.599 1.00 45.10 C ATOM 1584 C ARG A 96 5.432 -10.567 8.044 1.00 43.01 C ATOM 1585 O ARG A 96 6.421 -11.107 8.547 1.00 14.54 O ATOM 1586 CB ARG A 96 6.078 -8.599 6.537 1.00 60.22 C ATOM 1587 CG ARG A 96 7.583 -8.506 6.867 1.00 72.53 C ATOM 1588 CD ARG A 96 8.464 -9.228 5.827 1.00 13.11 C ATOM 1589 NE ARG A 96 9.887 -9.232 6.201 1.00 34.12 N ATOM 1590 CZ ARG A 96 10.877 -9.749 5.451 1.00 44.43 C ATOM 1591 NH1 ARG A 96 10.620 -10.305 4.260 1.00 61.11 N ATOM 1592 NH2 ARG A 96 12.127 -9.680 5.883 1.00 31.40 N ATOM 0 H ARG A 96 3.660 -9.094 6.083 1.00 53.52 H new ATOM 0 HA ARG A 96 6.103 -10.702 6.018 1.00 45.10 H new ATOM 0 HB2 ARG A 96 5.917 -8.197 5.537 1.00 60.22 H new ATOM 0 HB3 ARG A 96 5.531 -7.960 7.230 1.00 60.22 H new ATOM 0 HG2 ARG A 96 7.875 -7.457 6.920 1.00 72.53 H new ATOM 0 HG3 ARG A 96 7.763 -8.937 7.852 1.00 72.53 H new ATOM 0 HD2 ARG A 96 8.118 -10.256 5.713 1.00 13.11 H new ATOM 0 HD3 ARG A 96 8.348 -8.743 4.858 1.00 13.11 H new ATOM 0 HE ARG A 96 10.142 -8.812 7.095 1.00 34.12 H new ATOM 0 HH11 ARG A 96 9.663 -10.341 3.910 1.00 61.11 H new ATOM 0 HH12 ARG A 96 11.382 -10.693 3.703 1.00 61.11 H new ATOM 0 HH21 ARG A 96 12.333 -9.237 6.778 1.00 31.40 H new ATOM 0 HH22 ARG A 96 12.883 -10.070 5.320 1.00 31.40 H new ATOM 1606 N THR A 97 4.270 -10.412 8.697 1.00 70.21 N ATOM 1607 CA THR A 97 4.019 -10.904 10.057 1.00 14.04 C ATOM 1608 C THR A 97 3.103 -12.140 10.024 1.00 52.15 C ATOM 1609 O THR A 97 2.156 -12.202 9.231 1.00 21.43 O ATOM 1610 CB THR A 97 3.355 -9.778 10.922 1.00 33.43 C ATOM 1611 OG1 THR A 97 4.253 -8.665 11.034 1.00 51.33 O ATOM 1612 CG2 THR A 97 2.954 -10.244 12.334 1.00 22.54 C ATOM 0 H THR A 97 3.467 -9.934 8.287 1.00 70.21 H new ATOM 0 HA THR A 97 4.973 -11.186 10.503 1.00 14.04 H new ATOM 0 HB THR A 97 2.438 -9.493 10.407 1.00 33.43 H new ATOM 0 HG1 THR A 97 5.135 -8.984 11.318 1.00 51.33 H new ATOM 0 HG21 THR A 97 2.501 -9.414 12.876 1.00 22.54 H new ATOM 0 HG22 THR A 97 2.237 -11.062 12.257 1.00 22.54 H new ATOM 0 HG23 THR A 97 3.840 -10.587 12.869 1.00 22.54 H new