USER MOD reduce.3.24.130724 H: found=0, std=0, add=302, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 304 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0.266 K(o=0.27,f=-8.1!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 89:sc= 0.846 USER MOD Single : A 11 SER OG : rot 121:sc= 0.991 USER MOD Single : A 30 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 17.772 13.125 0.502 1.00 0.68 N ATOM 46 CA LYS A 4 16.954 13.120 1.757 1.00 0.70 C ATOM 47 C LYS A 4 16.363 14.503 2.042 1.00 0.66 C ATOM 48 O LYS A 4 15.212 14.629 2.419 1.00 0.65 O ATOM 49 CB LYS A 4 17.936 12.702 2.858 1.00 0.81 C ATOM 50 CG LYS A 4 18.245 11.203 2.737 1.00 0.87 C ATOM 51 CD LYS A 4 19.671 11.006 2.201 1.00 0.91 C ATOM 52 CE LYS A 4 19.663 9.957 1.080 1.00 0.94 C ATOM 53 NZ LYS A 4 21.079 9.880 0.598 1.00 0.99 N ATOM 0 HA LYS A 4 16.101 12.444 1.686 1.00 0.70 H new ATOM 0 HB2 LYS A 4 18.856 13.280 2.776 1.00 0.81 H new ATOM 0 HB3 LYS A 4 17.511 12.917 3.838 1.00 0.81 H new ATOM 0 HG2 LYS A 4 18.143 10.722 3.710 1.00 0.87 H new ATOM 0 HG3 LYS A 4 17.527 10.727 2.069 1.00 0.87 H new ATOM 0 HD2 LYS A 4 20.062 11.951 1.825 1.00 0.91 H new ATOM 0 HD3 LYS A 4 20.332 10.686 3.007 1.00 0.91 H new ATOM 0 HE2 LYS A 4 19.320 8.990 1.449 1.00 0.94 H new ATOM 0 HE3 LYS A 4 18.989 10.248 0.274 1.00 0.94 H new ATOM 0 HZ1 LYS A 4 21.147 9.181 -0.169 1.00 0.99 H new ATOM 0 HZ2 LYS A 4 21.377 10.812 0.245 1.00 0.99 H new ATOM 0 HZ3 LYS A 4 21.698 9.593 1.383 1.00 0.99 H new ATOM 67 N VAL A 5 17.140 15.534 1.859 1.00 0.66 N ATOM 68 CA VAL A 5 16.634 16.923 2.114 1.00 0.66 C ATOM 69 C VAL A 5 15.390 17.205 1.266 1.00 0.59 C ATOM 70 O VAL A 5 14.397 17.712 1.753 1.00 0.60 O ATOM 71 CB VAL A 5 17.780 17.874 1.740 1.00 0.71 C ATOM 72 CG1 VAL A 5 18.226 17.635 0.295 1.00 0.66 C ATOM 73 CG2 VAL A 5 17.295 19.318 1.877 1.00 0.76 C ATOM 0 H VAL A 5 18.108 15.480 1.543 1.00 0.66 H new ATOM 0 HA VAL A 5 16.342 17.055 3.156 1.00 0.66 H new ATOM 0 HB VAL A 5 18.623 17.690 2.406 1.00 0.71 H new ATOM 0 HG11 VAL A 5 19.039 18.318 0.047 1.00 0.66 H new ATOM 0 HG12 VAL A 5 18.570 16.607 0.186 1.00 0.66 H new ATOM 0 HG13 VAL A 5 17.387 17.810 -0.378 1.00 0.66 H new ATOM 0 HG21 VAL A 5 18.103 20.000 1.613 1.00 0.76 H new ATOM 0 HG22 VAL A 5 16.449 19.483 1.210 1.00 0.76 H new ATOM 0 HG23 VAL A 5 16.986 19.502 2.906 1.00 0.76 H new ATOM 83 N GLN A 6 15.427 16.861 0.011 1.00 0.54 N ATOM 84 CA GLN A 6 14.240 17.088 -0.859 1.00 0.48 C ATOM 85 C GLN A 6 13.212 15.985 -0.609 1.00 0.44 C ATOM 86 O GLN A 6 12.017 16.206 -0.689 1.00 0.41 O ATOM 87 CB GLN A 6 14.759 17.043 -2.302 1.00 0.48 C ATOM 88 CG GLN A 6 15.204 18.447 -2.738 1.00 0.54 C ATOM 89 CD GLN A 6 13.985 19.363 -2.887 1.00 0.56 C ATOM 90 OE1 GLN A 6 13.359 19.404 -3.928 1.00 0.57 O ATOM 91 NE2 GLN A 6 13.618 20.113 -1.888 1.00 0.66 N ATOM 0 H GLN A 6 16.228 16.432 -0.451 1.00 0.54 H new ATOM 0 HA GLN A 6 13.752 18.041 -0.656 1.00 0.48 H new ATOM 0 HB2 GLN A 6 15.595 16.347 -2.376 1.00 0.48 H new ATOM 0 HB3 GLN A 6 13.978 16.676 -2.968 1.00 0.48 H new ATOM 0 HG2 GLN A 6 15.894 18.863 -2.003 1.00 0.54 H new ATOM 0 HG3 GLN A 6 15.743 18.389 -3.684 1.00 0.54 H new ATOM 0 HE21 GLN A 6 14.138 20.085 -1.011 1.00 0.66 H new ATOM 0 HE22 GLN A 6 12.811 20.729 -1.982 1.00 0.66 H new ATOM 100 N TYR A 7 13.678 14.805 -0.279 1.00 0.47 N ATOM 101 CA TYR A 7 12.752 13.666 0.009 1.00 0.48 C ATOM 102 C TYR A 7 11.817 14.036 1.164 1.00 0.49 C ATOM 103 O TYR A 7 10.608 13.901 1.065 1.00 0.48 O ATOM 104 CB TYR A 7 13.663 12.497 0.406 1.00 0.56 C ATOM 105 CG TYR A 7 12.979 11.185 0.100 1.00 0.61 C ATOM 106 CD1 TYR A 7 13.066 10.635 -1.184 1.00 0.70 C ATOM 107 CD2 TYR A 7 12.266 10.516 1.102 1.00 0.74 C ATOM 108 CE1 TYR A 7 12.439 9.415 -1.467 1.00 0.77 C ATOM 109 CE2 TYR A 7 11.640 9.295 0.818 1.00 0.80 C ATOM 110 CZ TYR A 7 11.727 8.746 -0.466 1.00 0.75 C ATOM 111 OH TYR A 7 11.115 7.541 -0.743 1.00 0.84 O ATOM 0 H TYR A 7 14.670 14.581 -0.196 1.00 0.47 H new ATOM 0 HA TYR A 7 12.124 13.415 -0.846 1.00 0.48 H new ATOM 0 HB2 TYR A 7 14.607 12.560 -0.136 1.00 0.56 H new ATOM 0 HB3 TYR A 7 13.901 12.554 1.468 1.00 0.56 H new ATOM 0 HD1 TYR A 7 13.617 11.151 -1.957 1.00 0.70 H new ATOM 0 HD2 TYR A 7 12.199 10.941 2.093 1.00 0.74 H new ATOM 0 HE1 TYR A 7 12.505 8.991 -2.458 1.00 0.77 H new ATOM 0 HE2 TYR A 7 11.090 8.778 1.590 1.00 0.80 H new ATOM 0 HH TYR A 7 10.664 7.210 0.062 1.00 0.84 H new ATOM 121 N LEU A 8 12.364 14.520 2.252 1.00 0.55 N ATOM 122 CA LEU A 8 11.508 14.918 3.408 1.00 0.60 C ATOM 123 C LEU A 8 10.784 16.241 3.102 1.00 0.57 C ATOM 124 O LEU A 8 9.680 16.467 3.560 1.00 0.59 O ATOM 125 CB LEU A 8 12.474 15.053 4.597 1.00 0.71 C ATOM 126 CG LEU A 8 13.267 16.364 4.517 1.00 0.73 C ATOM 127 CD1 LEU A 8 12.538 17.457 5.298 1.00 0.86 C ATOM 128 CD2 LEU A 8 14.651 16.155 5.132 1.00 0.81 C ATOM 0 H LEU A 8 13.366 14.656 2.388 1.00 0.55 H new ATOM 0 HA LEU A 8 10.726 14.190 3.622 1.00 0.60 H new ATOM 0 HB2 LEU A 8 11.913 15.020 5.531 1.00 0.71 H new ATOM 0 HB3 LEU A 8 13.162 14.208 4.608 1.00 0.71 H new ATOM 0 HG LEU A 8 13.363 16.663 3.473 1.00 0.73 H new ATOM 0 HD11 LEU A 8 13.105 18.386 5.239 1.00 0.86 H new ATOM 0 HD12 LEU A 8 11.546 17.609 4.872 1.00 0.86 H new ATOM 0 HD13 LEU A 8 12.442 17.156 6.341 1.00 0.86 H new ATOM 0 HD21 LEU A 8 15.218 17.084 5.077 1.00 0.81 H new ATOM 0 HD22 LEU A 8 14.544 15.856 6.175 1.00 0.81 H new ATOM 0 HD23 LEU A 8 15.179 15.375 4.583 1.00 0.81 H new ATOM 140 N THR A 9 11.387 17.107 2.317 1.00 0.54 N ATOM 141 CA THR A 9 10.721 18.407 1.972 1.00 0.54 C ATOM 142 C THR A 9 9.529 18.154 1.041 1.00 0.46 C ATOM 143 O THR A 9 8.419 18.568 1.318 1.00 0.48 O ATOM 144 CB THR A 9 11.794 19.248 1.264 1.00 0.57 C ATOM 145 OG1 THR A 9 12.869 19.493 2.160 1.00 0.65 O ATOM 146 CG2 THR A 9 11.200 20.586 0.824 1.00 0.63 C ATOM 0 H THR A 9 12.309 16.970 1.902 1.00 0.54 H new ATOM 0 HA THR A 9 10.336 18.917 2.855 1.00 0.54 H new ATOM 0 HB THR A 9 12.153 18.704 0.390 1.00 0.57 H new ATOM 0 HG1 THR A 9 13.525 18.769 2.089 1.00 0.65 H new ATOM 0 HG21 THR A 9 11.966 21.177 0.323 1.00 0.63 H new ATOM 0 HG22 THR A 9 10.372 20.408 0.138 1.00 0.63 H new ATOM 0 HG23 THR A 9 10.837 21.128 1.697 1.00 0.63 H new ATOM 154 N ARG A 10 9.743 17.457 -0.052 1.00 0.39 N ATOM 155 CA ARG A 10 8.613 17.159 -0.994 1.00 0.33 C ATOM 156 C ARG A 10 7.512 16.379 -0.269 1.00 0.31 C ATOM 157 O ARG A 10 6.338 16.585 -0.488 1.00 0.29 O ATOM 158 CB ARG A 10 9.229 16.298 -2.098 1.00 0.31 C ATOM 159 CG ARG A 10 9.387 17.127 -3.378 1.00 0.36 C ATOM 160 CD ARG A 10 10.637 18.003 -3.272 1.00 0.44 C ATOM 161 NE ARG A 10 10.157 19.393 -3.542 1.00 0.45 N ATOM 162 CZ ARG A 10 10.252 19.897 -4.735 1.00 0.50 C ATOM 163 NH1 ARG A 10 11.421 20.112 -5.255 1.00 0.57 N ATOM 164 NH2 ARG A 10 9.173 20.175 -5.404 1.00 0.55 N ATOM 0 H ARG A 10 10.649 17.082 -0.332 1.00 0.39 H new ATOM 0 HA ARG A 10 8.159 18.068 -1.388 1.00 0.33 H new ATOM 0 HB2 ARG A 10 10.199 15.919 -1.777 1.00 0.31 H new ATOM 0 HB3 ARG A 10 8.597 15.431 -2.291 1.00 0.31 H new ATOM 0 HG2 ARG A 10 9.465 16.468 -4.243 1.00 0.36 H new ATOM 0 HG3 ARG A 10 8.506 17.750 -3.531 1.00 0.36 H new ATOM 0 HD2 ARG A 10 11.090 17.927 -2.284 1.00 0.44 H new ATOM 0 HD3 ARG A 10 11.395 17.699 -3.994 1.00 0.44 H new ATOM 0 HE ARG A 10 9.754 19.947 -2.787 1.00 0.45 H new ATOM 0 HH11 ARG A 10 12.264 19.885 -4.727 1.00 0.57 H new ATOM 0 HH12 ARG A 10 11.497 20.508 -6.192 1.00 0.57 H new ATOM 0 HH21 ARG A 10 8.257 19.997 -4.992 1.00 0.55 H new ATOM 0 HH22 ARG A 10 9.242 20.571 -6.341 1.00 0.55 H new ATOM 178 N SER A 11 7.900 15.496 0.602 1.00 0.35 N ATOM 179 CA SER A 11 6.907 14.691 1.380 1.00 0.38 C ATOM 180 C SER A 11 6.203 15.575 2.410 1.00 0.42 C ATOM 181 O SER A 11 5.017 15.451 2.651 1.00 0.42 O ATOM 182 CB SER A 11 7.740 13.635 2.096 1.00 0.46 C ATOM 183 OG SER A 11 8.422 12.834 1.139 1.00 0.46 O ATOM 0 H SER A 11 8.876 15.290 0.815 1.00 0.35 H new ATOM 0 HA SER A 11 6.138 14.257 0.741 1.00 0.38 H new ATOM 0 HB2 SER A 11 8.458 14.114 2.762 1.00 0.46 H new ATOM 0 HB3 SER A 11 7.098 13.010 2.716 1.00 0.46 H new ATOM 0 HG SER A 11 9.388 12.889 1.295 1.00 0.46 H new ATOM 189 N ALA A 12 6.940 16.471 3.014 1.00 0.48 N ATOM 190 CA ALA A 12 6.356 17.386 4.030 1.00 0.55 C ATOM 191 C ALA A 12 5.414 18.368 3.352 1.00 0.51 C ATOM 192 O ALA A 12 4.402 18.769 3.900 1.00 0.55 O ATOM 193 CB ALA A 12 7.555 18.120 4.617 1.00 0.64 C ATOM 0 H ALA A 12 7.936 16.606 2.841 1.00 0.48 H new ATOM 0 HA ALA A 12 5.782 16.861 4.793 1.00 0.55 H new ATOM 0 HB1 ALA A 12 7.215 18.820 5.380 1.00 0.64 H new ATOM 0 HB2 ALA A 12 8.239 17.399 5.065 1.00 0.64 H new ATOM 0 HB3 ALA A 12 8.070 18.666 3.827 1.00 0.64 H new ATOM 199 N ILE A 13 5.751 18.750 2.160 1.00 0.46 N ATOM 200 CA ILE A 13 4.902 19.700 1.403 1.00 0.46 C ATOM 201 C ILE A 13 3.912 18.946 0.499 1.00 0.37 C ATOM 202 O ILE A 13 2.952 19.522 0.030 1.00 0.39 O ATOM 203 CB ILE A 13 5.875 20.527 0.562 1.00 0.50 C ATOM 204 CG1 ILE A 13 5.188 21.819 0.107 1.00 0.59 C ATOM 205 CG2 ILE A 13 6.293 19.714 -0.663 1.00 0.42 C ATOM 206 CD1 ILE A 13 6.202 22.727 -0.596 1.00 0.72 C ATOM 0 H ILE A 13 6.591 18.440 1.670 1.00 0.46 H new ATOM 0 HA ILE A 13 4.304 20.325 2.066 1.00 0.46 H new ATOM 0 HB ILE A 13 6.754 20.776 1.156 1.00 0.50 H new ATOM 0 HG12 ILE A 13 4.365 21.586 -0.569 1.00 0.59 H new ATOM 0 HG13 ILE A 13 4.758 22.335 0.966 1.00 0.59 H new ATOM 0 HG21 ILE A 13 6.987 20.298 -1.268 1.00 0.42 H new ATOM 0 HG22 ILE A 13 6.779 18.793 -0.340 1.00 0.42 H new ATOM 0 HG23 ILE A 13 5.412 19.470 -1.256 1.00 0.42 H new ATOM 0 HD11 ILE A 13 5.708 23.644 -0.917 1.00 0.72 H new ATOM 0 HD12 ILE A 13 7.010 22.972 0.093 1.00 0.72 H new ATOM 0 HD13 ILE A 13 6.611 22.212 -1.465 1.00 0.72 H new ATOM 218 N ARG A 14 4.160 17.674 0.224 1.00 0.30 N ATOM 219 CA ARG A 14 3.246 16.887 -0.687 1.00 0.22 C ATOM 220 C ARG A 14 1.785 17.285 -0.470 1.00 0.24 C ATOM 221 O ARG A 14 1.056 17.537 -1.412 1.00 0.27 O ATOM 222 CB ARG A 14 3.461 15.415 -0.308 1.00 0.22 C ATOM 223 CG ARG A 14 2.179 14.612 -0.584 1.00 0.24 C ATOM 224 CD ARG A 14 2.511 13.123 -0.687 1.00 0.32 C ATOM 225 NE ARG A 14 2.301 12.784 -2.125 1.00 0.36 N ATOM 226 CZ ARG A 14 3.315 12.576 -2.899 1.00 0.43 C ATOM 227 NH1 ARG A 14 3.980 11.471 -2.799 1.00 0.54 N ATOM 228 NH2 ARG A 14 3.655 13.473 -3.768 1.00 0.50 N ATOM 0 H ARG A 14 4.954 17.149 0.591 1.00 0.30 H new ATOM 0 HA ARG A 14 3.469 17.076 -1.737 1.00 0.22 H new ATOM 0 HB2 ARG A 14 4.291 15.000 -0.880 1.00 0.22 H new ATOM 0 HB3 ARG A 14 3.730 15.337 0.745 1.00 0.22 H new ATOM 0 HG2 ARG A 14 1.456 14.778 0.215 1.00 0.24 H new ATOM 0 HG3 ARG A 14 1.716 14.955 -1.509 1.00 0.24 H new ATOM 0 HD2 ARG A 14 3.538 12.925 -0.380 1.00 0.32 H new ATOM 0 HD3 ARG A 14 1.865 12.528 -0.042 1.00 0.32 H new ATOM 0 HE ARG A 14 1.354 12.716 -2.498 1.00 0.36 H new ATOM 0 HH11 ARG A 14 3.703 10.770 -2.112 1.00 0.54 H new ATOM 0 HH12 ARG A 14 4.781 11.301 -3.407 1.00 0.54 H new ATOM 0 HH21 ARG A 14 3.123 14.340 -3.840 1.00 0.50 H new ATOM 0 HH22 ARG A 14 4.455 13.312 -4.381 1.00 0.50 H new ATOM 465 N LEU A 29 -2.187 2.212 2.494 1.00 0.49 N ATOM 466 CA LEU A 29 -2.550 1.207 3.540 1.00 0.49 C ATOM 467 C LEU A 29 -3.778 0.456 3.055 1.00 0.47 C ATOM 468 O LEU A 29 -3.865 -0.755 3.128 1.00 0.48 O ATOM 469 CB LEU A 29 -2.887 2.008 4.799 1.00 0.51 C ATOM 470 CG LEU A 29 -1.787 3.019 5.074 1.00 0.54 C ATOM 471 CD1 LEU A 29 -2.237 3.985 6.170 1.00 0.57 C ATOM 472 CD2 LEU A 29 -0.516 2.298 5.525 1.00 0.61 C ATOM 0 HA LEU A 29 -1.750 0.494 3.739 1.00 0.49 H new ATOM 0 HB2 LEU A 29 -3.841 2.520 4.671 1.00 0.51 H new ATOM 0 HB3 LEU A 29 -2.997 1.336 5.650 1.00 0.51 H new ATOM 0 HG LEU A 29 -1.581 3.575 4.159 1.00 0.54 H new ATOM 0 HD11 LEU A 29 -1.445 4.709 6.365 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -3.136 4.509 5.846 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -2.451 3.427 7.082 1.00 0.57 H new ATOM 0 HD21 LEU A 29 0.268 3.030 5.720 1.00 0.61 H new ATOM 0 HD22 LEU A 29 -0.721 1.734 6.435 1.00 0.61 H new ATOM 0 HD23 LEU A 29 -0.188 1.615 4.742 1.00 0.61 H new ATOM 484 N GLN A 30 -4.727 1.197 2.544 1.00 0.44 N ATOM 485 CA GLN A 30 -5.979 0.571 2.022 1.00 0.43 C ATOM 486 C GLN A 30 -5.632 -0.465 0.954 1.00 0.44 C ATOM 487 O GLN A 30 -6.072 -1.599 1.006 1.00 0.45 O ATOM 488 CB GLN A 30 -6.785 1.721 1.413 1.00 0.43 C ATOM 489 CG GLN A 30 -7.753 2.286 2.459 1.00 0.44 C ATOM 490 CD GLN A 30 -8.085 3.745 2.133 1.00 0.45 C ATOM 491 OE1 GLN A 30 -8.285 4.548 3.024 1.00 0.47 O ATOM 492 NE2 GLN A 30 -8.159 4.132 0.890 1.00 0.51 N ATOM 0 H GLN A 30 -4.689 2.213 2.465 1.00 0.44 H new ATOM 0 HA GLN A 30 -6.541 0.057 2.802 1.00 0.43 H new ATOM 0 HB2 GLN A 30 -6.112 2.505 1.065 1.00 0.43 H new ATOM 0 HB3 GLN A 30 -7.340 1.368 0.543 1.00 0.43 H new ATOM 0 HG2 GLN A 30 -8.667 1.692 2.479 1.00 0.44 H new ATOM 0 HG3 GLN A 30 -7.308 2.219 3.452 1.00 0.44 H new ATOM 0 HE21 GLN A 30 -7.992 3.464 0.137 1.00 0.51 H new ATOM 0 HE22 GLN A 30 -8.383 5.103 0.671 1.00 0.51 H new ATOM 501 N ASN A 31 -4.823 -0.082 0.004 1.00 0.46 N ATOM 502 CA ASN A 31 -4.407 -1.037 -1.071 1.00 0.49 C ATOM 503 C ASN A 31 -3.792 -2.285 -0.436 1.00 0.49 C ATOM 504 O ASN A 31 -4.162 -3.400 -0.743 1.00 0.50 O ATOM 505 CB ASN A 31 -3.368 -0.281 -1.907 1.00 0.54 C ATOM 506 CG ASN A 31 -3.954 0.055 -3.278 1.00 0.73 C ATOM 507 OD1 ASN A 31 -3.721 -0.647 -4.238 1.00 0.96 O ATOM 508 ND2 ASN A 31 -4.713 1.102 -3.413 1.00 0.91 N ATOM 0 H ASN A 31 -4.429 0.855 -0.077 1.00 0.46 H new ATOM 0 HA ASN A 31 -5.245 -1.366 -1.685 1.00 0.49 H new ATOM 0 HB2 ASN A 31 -3.070 0.634 -1.394 1.00 0.54 H new ATOM 0 HB3 ASN A 31 -2.470 -0.888 -2.024 1.00 0.54 H new ATOM 0 HD21 ASN A 31 -5.110 1.330 -4.324 1.00 0.91 H new ATOM 0 HD22 ASN A 31 -4.911 1.695 -2.607 1.00 0.91 H new ATOM 515 N LEU A 32 -2.874 -2.091 0.471 1.00 0.49 N ATOM 516 CA LEU A 32 -2.234 -3.237 1.168 1.00 0.51 C ATOM 517 C LEU A 32 -3.288 -4.008 1.954 1.00 0.48 C ATOM 518 O LEU A 32 -3.340 -5.213 1.903 1.00 0.48 O ATOM 519 CB LEU A 32 -1.196 -2.615 2.112 1.00 0.56 C ATOM 520 CG LEU A 32 0.185 -3.200 1.815 1.00 0.64 C ATOM 521 CD1 LEU A 32 1.259 -2.305 2.431 1.00 0.70 C ATOM 522 CD2 LEU A 32 0.288 -4.602 2.418 1.00 0.80 C ATOM 0 H LEU A 32 -2.537 -1.173 0.761 1.00 0.49 H new ATOM 0 HA LEU A 32 -1.768 -3.938 0.476 1.00 0.51 H new ATOM 0 HB2 LEU A 32 -1.178 -1.532 1.986 1.00 0.56 H new ATOM 0 HB3 LEU A 32 -1.469 -2.811 3.149 1.00 0.56 H new ATOM 0 HG LEU A 32 0.330 -3.256 0.736 1.00 0.64 H new ATOM 0 HD11 LEU A 32 2.244 -2.721 2.220 1.00 0.70 H new ATOM 0 HD12 LEU A 32 1.188 -1.305 2.004 1.00 0.70 H new ATOM 0 HD13 LEU A 32 1.112 -2.250 3.510 1.00 0.70 H new ATOM 0 HD21 LEU A 32 1.273 -5.018 2.206 1.00 0.80 H new ATOM 0 HD22 LEU A 32 0.143 -4.546 3.497 1.00 0.80 H new ATOM 0 HD23 LEU A 32 -0.478 -5.243 1.982 1.00 0.80 H new ATOM 534 N PHE A 33 -4.140 -3.319 2.660 1.00 0.48 N ATOM 535 CA PHE A 33 -5.206 -4.019 3.440 1.00 0.49 C ATOM 536 C PHE A 33 -6.070 -4.873 2.500 1.00 0.46 C ATOM 537 O PHE A 33 -6.348 -6.023 2.777 1.00 0.47 O ATOM 538 CB PHE A 33 -6.041 -2.900 4.076 1.00 0.51 C ATOM 539 CG PHE A 33 -5.706 -2.797 5.544 1.00 0.59 C ATOM 540 CD1 PHE A 33 -4.582 -2.074 5.959 1.00 0.63 C ATOM 541 CD2 PHE A 33 -6.522 -3.425 6.492 1.00 0.68 C ATOM 542 CE1 PHE A 33 -4.273 -1.978 7.320 1.00 0.74 C ATOM 543 CE2 PHE A 33 -6.214 -3.330 7.853 1.00 0.78 C ATOM 544 CZ PHE A 33 -5.089 -2.606 8.268 1.00 0.79 C ATOM 0 H PHE A 33 -4.147 -2.302 2.733 1.00 0.48 H new ATOM 0 HA PHE A 33 -4.794 -4.691 4.193 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.838 -1.952 3.578 1.00 0.51 H new ATOM 0 HB3 PHE A 33 -7.104 -3.106 3.948 1.00 0.51 H new ATOM 0 HD1 PHE A 33 -3.952 -1.589 5.228 1.00 0.63 H new ATOM 0 HD2 PHE A 33 -7.390 -3.983 6.173 1.00 0.68 H new ATOM 0 HE1 PHE A 33 -3.405 -1.420 7.639 1.00 0.74 H new ATOM 0 HE2 PHE A 33 -6.844 -3.815 8.584 1.00 0.78 H new ATOM 0 HZ PHE A 33 -4.851 -2.532 9.319 1.00 0.79 H new ATOM 554 N ILE A 34 -6.477 -4.324 1.382 1.00 0.43 N ATOM 555 CA ILE A 34 -7.305 -5.111 0.413 1.00 0.43 C ATOM 556 C ILE A 34 -6.418 -6.101 -0.363 1.00 0.41 C ATOM 557 O ILE A 34 -6.792 -7.238 -0.586 1.00 0.42 O ATOM 558 CB ILE A 34 -7.919 -4.066 -0.529 1.00 0.47 C ATOM 559 CG1 ILE A 34 -8.940 -3.220 0.241 1.00 0.52 C ATOM 560 CG2 ILE A 34 -8.627 -4.761 -1.695 1.00 0.55 C ATOM 561 CD1 ILE A 34 -8.727 -1.738 -0.079 1.00 0.62 C ATOM 0 H ILE A 34 -6.272 -3.366 1.098 1.00 0.43 H new ATOM 0 HA ILE A 34 -8.073 -5.704 0.909 1.00 0.43 H new ATOM 0 HB ILE A 34 -7.123 -3.429 -0.916 1.00 0.47 H new ATOM 0 HG12 ILE A 34 -9.953 -3.519 -0.030 1.00 0.52 H new ATOM 0 HG13 ILE A 34 -8.833 -3.390 1.312 1.00 0.52 H new ATOM 0 HG21 ILE A 34 -9.059 -4.011 -2.357 1.00 0.55 H new ATOM 0 HG22 ILE A 34 -7.908 -5.364 -2.250 1.00 0.55 H new ATOM 0 HG23 ILE A 34 -9.418 -5.404 -1.309 1.00 0.55 H new ATOM 0 HD11 ILE A 34 -9.454 -1.139 0.470 1.00 0.62 H new ATOM 0 HD12 ILE A 34 -7.719 -1.444 0.214 1.00 0.62 H new ATOM 0 HD13 ILE A 34 -8.856 -1.575 -1.149 1.00 0.62 H new ATOM 573 N ASN A 35 -5.237 -5.682 -0.760 1.00 0.42 N ATOM 574 CA ASN A 35 -4.324 -6.589 -1.504 1.00 0.43 C ATOM 575 C ASN A 35 -3.839 -7.686 -0.572 1.00 0.43 C ATOM 576 O ASN A 35 -3.840 -8.853 -0.915 1.00 0.42 O ATOM 577 CB ASN A 35 -3.160 -5.699 -1.954 1.00 0.48 C ATOM 578 CG ASN A 35 -2.224 -6.488 -2.863 1.00 0.56 C ATOM 579 OD1 ASN A 35 -1.243 -7.038 -2.412 1.00 0.61 O ATOM 580 ND2 ASN A 35 -2.485 -6.571 -4.132 1.00 0.68 N ATOM 0 H ASN A 35 -4.871 -4.744 -0.596 1.00 0.42 H new ATOM 0 HA ASN A 35 -4.805 -7.074 -2.353 1.00 0.43 H new ATOM 0 HB2 ASN A 35 -3.542 -4.825 -2.482 1.00 0.48 H new ATOM 0 HB3 ASN A 35 -2.614 -5.333 -1.085 1.00 0.48 H new ATOM 0 HD21 ASN A 35 -1.865 -7.098 -4.747 1.00 0.68 H new ATOM 0 HD22 ASN A 35 -3.310 -6.109 -4.514 1.00 0.68 H new ATOM 587 N PHE A 36 -3.441 -7.316 0.614 1.00 0.45 N ATOM 588 CA PHE A 36 -2.964 -8.337 1.583 1.00 0.49 C ATOM 589 C PHE A 36 -4.080 -9.347 1.863 1.00 0.46 C ATOM 590 O PHE A 36 -3.874 -10.545 1.811 1.00 0.48 O ATOM 591 CB PHE A 36 -2.587 -7.563 2.852 1.00 0.55 C ATOM 592 CG PHE A 36 -2.079 -8.518 3.904 1.00 0.61 C ATOM 593 CD1 PHE A 36 -0.856 -9.172 3.724 1.00 0.70 C ATOM 594 CD2 PHE A 36 -2.833 -8.748 5.060 1.00 0.69 C ATOM 595 CE1 PHE A 36 -0.386 -10.057 4.700 1.00 0.81 C ATOM 596 CE2 PHE A 36 -2.364 -9.633 6.036 1.00 0.80 C ATOM 597 CZ PHE A 36 -1.140 -10.288 5.857 1.00 0.83 C ATOM 0 H PHE A 36 -3.426 -6.354 0.951 1.00 0.45 H new ATOM 0 HA PHE A 36 -2.112 -8.901 1.203 1.00 0.49 H new ATOM 0 HB2 PHE A 36 -1.822 -6.821 2.622 1.00 0.55 H new ATOM 0 HB3 PHE A 36 -3.454 -7.021 3.229 1.00 0.55 H new ATOM 0 HD1 PHE A 36 -0.274 -8.994 2.832 1.00 0.70 H new ATOM 0 HD2 PHE A 36 -3.777 -8.242 5.199 1.00 0.69 H new ATOM 0 HE1 PHE A 36 0.558 -10.562 4.561 1.00 0.81 H new ATOM 0 HE2 PHE A 36 -2.946 -9.811 6.928 1.00 0.80 H new ATOM 0 HZ PHE A 36 -0.777 -10.971 6.611 1.00 0.83 H new ATOM 607 N ALA A 37 -5.263 -8.864 2.128 1.00 0.45 N ATOM 608 CA ALA A 37 -6.413 -9.781 2.384 1.00 0.47 C ATOM 609 C ALA A 37 -6.660 -10.646 1.142 1.00 0.41 C ATOM 610 O ALA A 37 -6.801 -11.854 1.234 1.00 0.43 O ATOM 611 CB ALA A 37 -7.607 -8.861 2.654 1.00 0.52 C ATOM 0 H ALA A 37 -5.485 -7.870 2.179 1.00 0.45 H new ATOM 0 HA ALA A 37 -6.236 -10.457 3.220 1.00 0.47 H new ATOM 0 HB1 ALA A 37 -8.493 -9.464 2.852 1.00 0.52 H new ATOM 0 HB2 ALA A 37 -7.394 -8.234 3.520 1.00 0.52 H new ATOM 0 HB3 ALA A 37 -7.784 -8.230 1.783 1.00 0.52 H new ATOM 617 N LEU A 38 -6.691 -10.039 -0.023 1.00 0.38 N ATOM 618 CA LEU A 38 -6.904 -10.830 -1.274 1.00 0.37 C ATOM 619 C LEU A 38 -5.761 -11.834 -1.444 1.00 0.34 C ATOM 620 O LEU A 38 -5.987 -13.004 -1.682 1.00 0.34 O ATOM 621 CB LEU A 38 -6.906 -9.801 -2.412 1.00 0.41 C ATOM 622 CG LEU A 38 -8.290 -9.158 -2.524 1.00 0.48 C ATOM 623 CD1 LEU A 38 -8.206 -7.923 -3.420 1.00 0.55 C ATOM 624 CD2 LEU A 38 -9.274 -10.157 -3.133 1.00 0.61 C ATOM 0 H LEU A 38 -6.578 -9.034 -0.159 1.00 0.38 H new ATOM 0 HA LEU A 38 -7.833 -11.399 -1.257 1.00 0.37 H new ATOM 0 HB2 LEU A 38 -6.153 -9.036 -2.224 1.00 0.41 H new ATOM 0 HB3 LEU A 38 -6.642 -10.284 -3.353 1.00 0.41 H new ATOM 0 HG LEU A 38 -8.634 -8.869 -1.531 1.00 0.48 H new ATOM 0 HD11 LEU A 38 -9.191 -7.464 -3.500 1.00 0.55 H new ATOM 0 HD12 LEU A 38 -7.507 -7.207 -2.988 1.00 0.55 H new ATOM 0 HD13 LEU A 38 -7.860 -8.216 -4.411 1.00 0.55 H new ATOM 0 HD21 LEU A 38 -10.259 -9.696 -3.211 1.00 0.61 H new ATOM 0 HD22 LEU A 38 -8.930 -10.448 -4.125 1.00 0.61 H new ATOM 0 HD23 LEU A 38 -9.336 -11.040 -2.497 1.00 0.61 H new ATOM 636 N ILE A 39 -4.535 -11.398 -1.293 1.00 0.37 N ATOM 637 CA ILE A 39 -3.391 -12.354 -1.419 1.00 0.41 C ATOM 638 C ILE A 39 -3.541 -13.448 -0.356 1.00 0.41 C ATOM 639 O ILE A 39 -3.391 -14.622 -0.639 1.00 0.42 O ATOM 640 CB ILE A 39 -2.130 -11.512 -1.183 1.00 0.50 C ATOM 641 CG1 ILE A 39 -1.905 -10.570 -2.374 1.00 0.56 C ATOM 642 CG2 ILE A 39 -0.913 -12.429 -1.024 1.00 0.61 C ATOM 643 CD1 ILE A 39 -1.619 -11.380 -3.644 1.00 0.66 C ATOM 0 H ILE A 39 -4.278 -10.432 -1.090 1.00 0.37 H new ATOM 0 HA ILE A 39 -3.349 -12.848 -2.390 1.00 0.41 H new ATOM 0 HB ILE A 39 -2.261 -10.925 -0.274 1.00 0.50 H new ATOM 0 HG12 ILE A 39 -2.785 -9.945 -2.523 1.00 0.56 H new ATOM 0 HG13 ILE A 39 -1.070 -9.901 -2.165 1.00 0.56 H new ATOM 0 HG21 ILE A 39 -0.021 -11.825 -0.857 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -1.066 -13.093 -0.173 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -0.784 -13.023 -1.929 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -1.461 -10.700 -4.481 1.00 0.66 H new ATOM 0 HD12 ILE A 39 -0.725 -11.986 -3.495 1.00 0.66 H new ATOM 0 HD13 ILE A 39 -2.467 -12.030 -3.859 1.00 0.66 H new ATOM 655 N LEU A 40 -3.866 -13.072 0.860 1.00 0.44 N ATOM 656 CA LEU A 40 -4.056 -14.088 1.936 1.00 0.50 C ATOM 657 C LEU A 40 -5.184 -15.054 1.551 1.00 0.45 C ATOM 658 O LEU A 40 -5.034 -16.260 1.644 1.00 0.47 O ATOM 659 CB LEU A 40 -4.428 -13.289 3.191 1.00 0.60 C ATOM 660 CG LEU A 40 -3.887 -14.003 4.429 1.00 0.82 C ATOM 661 CD1 LEU A 40 -2.708 -13.216 4.997 1.00 1.40 C ATOM 662 CD2 LEU A 40 -4.983 -14.090 5.487 1.00 1.28 C ATOM 0 H LEU A 40 -4.007 -12.104 1.150 1.00 0.44 H new ATOM 0 HA LEU A 40 -3.162 -14.690 2.098 1.00 0.50 H new ATOM 0 HB2 LEU A 40 -4.015 -12.282 3.130 1.00 0.60 H new ATOM 0 HB3 LEU A 40 -5.511 -13.186 3.262 1.00 0.60 H new ATOM 0 HG LEU A 40 -3.562 -15.006 4.152 1.00 0.82 H new ATOM 0 HD11 LEU A 40 -2.322 -13.725 5.880 1.00 1.40 H new ATOM 0 HD12 LEU A 40 -1.921 -13.146 4.246 1.00 1.40 H new ATOM 0 HD13 LEU A 40 -3.038 -12.214 5.271 1.00 1.40 H new ATOM 0 HD21 LEU A 40 -4.597 -14.599 6.370 1.00 1.28 H new ATOM 0 HD22 LEU A 40 -5.306 -13.085 5.760 1.00 1.28 H new ATOM 0 HD23 LEU A 40 -5.830 -14.648 5.088 1.00 1.28 H new ATOM 674 N ILE A 41 -6.310 -14.541 1.101 1.00 0.41 N ATOM 675 CA ILE A 41 -7.430 -15.448 0.701 1.00 0.42 C ATOM 676 C ILE A 41 -7.045 -16.239 -0.560 1.00 0.34 C ATOM 677 O ILE A 41 -7.268 -17.428 -0.635 1.00 0.38 O ATOM 678 CB ILE A 41 -8.654 -14.534 0.475 1.00 0.48 C ATOM 679 CG1 ILE A 41 -9.921 -15.289 0.885 1.00 0.60 C ATOM 680 CG2 ILE A 41 -8.782 -14.118 -0.995 1.00 0.49 C ATOM 681 CD1 ILE A 41 -10.946 -14.302 1.438 1.00 1.06 C ATOM 0 H ILE A 41 -6.497 -13.544 0.996 1.00 0.41 H new ATOM 0 HA ILE A 41 -7.655 -16.194 1.463 1.00 0.42 H new ATOM 0 HB ILE A 41 -8.523 -13.635 1.077 1.00 0.48 H new ATOM 0 HG12 ILE A 41 -10.336 -15.818 0.027 1.00 0.60 H new ATOM 0 HG13 ILE A 41 -9.682 -16.041 1.637 1.00 0.60 H new ATOM 0 HG21 ILE A 41 -9.654 -13.476 -1.117 1.00 0.49 H new ATOM 0 HG22 ILE A 41 -7.887 -13.576 -1.299 1.00 0.49 H new ATOM 0 HG23 ILE A 41 -8.896 -15.007 -1.616 1.00 0.49 H new ATOM 0 HD11 ILE A 41 -11.848 -14.840 1.730 1.00 1.06 H new ATOM 0 HD12 ILE A 41 -10.529 -13.794 2.307 1.00 1.06 H new ATOM 0 HD13 ILE A 41 -11.193 -13.567 0.672 1.00 1.06 H new ATOM 693 N PHE A 42 -6.449 -15.599 -1.540 1.00 0.29 N ATOM 694 CA PHE A 42 -6.037 -16.337 -2.778 1.00 0.30 C ATOM 695 C PHE A 42 -5.039 -17.450 -2.425 1.00 0.30 C ATOM 696 O PHE A 42 -5.050 -18.519 -3.012 1.00 0.33 O ATOM 697 CB PHE A 42 -5.378 -15.286 -3.680 1.00 0.36 C ATOM 698 CG PHE A 42 -6.419 -14.676 -4.590 1.00 0.51 C ATOM 699 CD1 PHE A 42 -7.148 -15.489 -5.465 1.00 0.92 C ATOM 700 CD2 PHE A 42 -6.658 -13.298 -4.557 1.00 0.69 C ATOM 701 CE1 PHE A 42 -8.114 -14.926 -6.305 1.00 1.15 C ATOM 702 CE2 PHE A 42 -7.624 -12.732 -5.397 1.00 0.86 C ATOM 703 CZ PHE A 42 -8.354 -13.547 -6.272 1.00 0.99 C ATOM 0 H PHE A 42 -6.231 -14.603 -1.536 1.00 0.29 H new ATOM 0 HA PHE A 42 -6.884 -16.814 -3.270 1.00 0.30 H new ATOM 0 HB2 PHE A 42 -4.912 -14.510 -3.072 1.00 0.36 H new ATOM 0 HB3 PHE A 42 -4.586 -15.745 -4.272 1.00 0.36 H new ATOM 0 HD1 PHE A 42 -6.964 -16.553 -5.492 1.00 0.92 H new ATOM 0 HD2 PHE A 42 -6.096 -12.670 -3.882 1.00 0.69 H new ATOM 0 HE1 PHE A 42 -8.675 -15.555 -6.980 1.00 1.15 H new ATOM 0 HE2 PHE A 42 -7.806 -11.668 -5.371 1.00 0.86 H new ATOM 0 HZ PHE A 42 -9.101 -13.112 -6.920 1.00 0.99 H new ATOM 713 N LEU A 43 -4.198 -17.215 -1.450 1.00 0.33 N ATOM 714 CA LEU A 43 -3.215 -18.251 -1.029 1.00 0.41 C ATOM 715 C LEU A 43 -3.953 -19.305 -0.204 1.00 0.40 C ATOM 716 O LEU A 43 -3.780 -20.494 -0.394 1.00 0.43 O ATOM 717 CB LEU A 43 -2.135 -17.488 -0.226 1.00 0.51 C ATOM 718 CG LEU A 43 -2.164 -17.853 1.266 1.00 0.59 C ATOM 719 CD1 LEU A 43 -1.489 -19.209 1.478 1.00 0.71 C ATOM 720 CD2 LEU A 43 -1.409 -16.787 2.059 1.00 0.70 C ATOM 0 H LEU A 43 -4.152 -16.342 -0.925 1.00 0.33 H new ATOM 0 HA LEU A 43 -2.742 -18.782 -1.855 1.00 0.41 H new ATOM 0 HB2 LEU A 43 -1.151 -17.714 -0.636 1.00 0.51 H new ATOM 0 HB3 LEU A 43 -2.289 -16.415 -0.340 1.00 0.51 H new ATOM 0 HG LEU A 43 -3.198 -17.906 1.606 1.00 0.59 H new ATOM 0 HD11 LEU A 43 -1.511 -19.465 2.537 1.00 0.71 H new ATOM 0 HD12 LEU A 43 -2.020 -19.972 0.909 1.00 0.71 H new ATOM 0 HD13 LEU A 43 -0.454 -19.157 1.139 1.00 0.71 H new ATOM 0 HD21 LEU A 43 -1.427 -17.041 3.119 1.00 0.70 H new ATOM 0 HD22 LEU A 43 -0.376 -16.740 1.714 1.00 0.70 H new ATOM 0 HD23 LEU A 43 -1.885 -15.818 1.911 1.00 0.70 H new ATOM 732 N LEU A 44 -4.819 -18.871 0.678 1.00 0.39 N ATOM 733 CA LEU A 44 -5.613 -19.842 1.471 1.00 0.45 C ATOM 734 C LEU A 44 -6.503 -20.634 0.509 1.00 0.40 C ATOM 735 O LEU A 44 -6.772 -21.801 0.715 1.00 0.44 O ATOM 736 CB LEU A 44 -6.454 -18.994 2.433 1.00 0.53 C ATOM 737 CG LEU A 44 -5.616 -18.622 3.659 1.00 0.65 C ATOM 738 CD1 LEU A 44 -6.286 -17.468 4.406 1.00 0.75 C ATOM 739 CD2 LEU A 44 -5.505 -19.830 4.589 1.00 0.80 C ATOM 0 H LEU A 44 -5.006 -17.888 0.878 1.00 0.39 H new ATOM 0 HA LEU A 44 -5.000 -20.554 2.023 1.00 0.45 H new ATOM 0 HB2 LEU A 44 -6.800 -18.091 1.930 1.00 0.53 H new ATOM 0 HB3 LEU A 44 -7.341 -19.548 2.741 1.00 0.53 H new ATOM 0 HG LEU A 44 -4.620 -18.318 3.336 1.00 0.65 H new ATOM 0 HD11 LEU A 44 -5.689 -17.204 5.279 1.00 0.75 H new ATOM 0 HD12 LEU A 44 -6.365 -16.604 3.746 1.00 0.75 H new ATOM 0 HD13 LEU A 44 -7.282 -17.772 4.727 1.00 0.75 H new ATOM 0 HD21 LEU A 44 -4.908 -19.564 5.461 1.00 0.80 H new ATOM 0 HD22 LEU A 44 -6.501 -20.135 4.910 1.00 0.80 H new ATOM 0 HD23 LEU A 44 -5.026 -20.654 4.060 1.00 0.80 H new ATOM 751 N LEU A 45 -6.949 -20.002 -0.557 1.00 0.34 N ATOM 752 CA LEU A 45 -7.812 -20.718 -1.543 1.00 0.38 C ATOM 753 C LEU A 45 -6.983 -21.718 -2.347 1.00 0.36 C ATOM 754 O LEU A 45 -7.342 -22.877 -2.468 1.00 0.42 O ATOM 755 CB LEU A 45 -8.394 -19.628 -2.454 1.00 0.43 C ATOM 756 CG LEU A 45 -9.902 -19.504 -2.216 1.00 0.61 C ATOM 757 CD1 LEU A 45 -10.598 -20.797 -2.641 1.00 0.76 C ATOM 758 CD2 LEU A 45 -10.169 -19.248 -0.730 1.00 0.72 C ATOM 0 H LEU A 45 -6.751 -19.027 -0.781 1.00 0.34 H new ATOM 0 HA LEU A 45 -8.602 -21.288 -1.054 1.00 0.38 H new ATOM 0 HB2 LEU A 45 -7.905 -18.675 -2.254 1.00 0.43 H new ATOM 0 HB3 LEU A 45 -8.200 -19.872 -3.498 1.00 0.43 H new ATOM 0 HG LEU A 45 -10.291 -18.672 -2.804 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -11.671 -20.706 -2.470 1.00 0.76 H new ATOM 0 HD12 LEU A 45 -10.413 -20.979 -3.700 1.00 0.76 H new ATOM 0 HD13 LEU A 45 -10.207 -21.630 -2.056 1.00 0.76 H new ATOM 0 HD21 LEU A 45 -11.243 -19.160 -0.563 1.00 0.72 H new ATOM 0 HD22 LEU A 45 -9.777 -20.078 -0.142 1.00 0.72 H new ATOM 0 HD23 LEU A 45 -9.678 -18.324 -0.426 1.00 0.72 H new ATOM 770 N ILE A 46 -5.864 -21.294 -2.872 1.00 0.34 N ATOM 771 CA ILE A 46 -5.003 -22.244 -3.643 1.00 0.43 C ATOM 772 C ILE A 46 -4.544 -23.368 -2.705 1.00 0.43 C ATOM 773 O ILE A 46 -4.517 -24.526 -3.082 1.00 0.49 O ATOM 774 CB ILE A 46 -3.825 -21.411 -4.186 1.00 0.51 C ATOM 775 CG1 ILE A 46 -3.277 -22.078 -5.449 1.00 0.63 C ATOM 776 CG2 ILE A 46 -2.701 -21.304 -3.152 1.00 0.57 C ATOM 777 CD1 ILE A 46 -3.365 -21.101 -6.620 1.00 1.13 C ATOM 0 H ILE A 46 -5.509 -20.340 -2.803 1.00 0.34 H new ATOM 0 HA ILE A 46 -5.526 -22.719 -4.473 1.00 0.43 H new ATOM 0 HB ILE A 46 -4.188 -20.408 -4.410 1.00 0.51 H new ATOM 0 HG12 ILE A 46 -2.242 -22.382 -5.293 1.00 0.63 H new ATOM 0 HG13 ILE A 46 -3.845 -22.981 -5.672 1.00 0.63 H new ATOM 0 HG21 ILE A 46 -1.884 -20.711 -3.563 1.00 0.57 H new ATOM 0 HG22 ILE A 46 -3.081 -20.823 -2.250 1.00 0.57 H new ATOM 0 HG23 ILE A 46 -2.337 -22.301 -2.906 1.00 0.57 H new ATOM 0 HD11 ILE A 46 -2.975 -21.576 -7.520 1.00 1.13 H new ATOM 0 HD12 ILE A 46 -4.405 -20.819 -6.781 1.00 1.13 H new ATOM 0 HD13 ILE A 46 -2.778 -20.210 -6.396 1.00 1.13 H new ATOM 789 N ALA A 47 -4.227 -23.035 -1.472 1.00 0.42 N ATOM 790 CA ALA A 47 -3.818 -24.081 -0.494 1.00 0.50 C ATOM 791 C ALA A 47 -4.955 -25.101 -0.353 1.00 0.48 C ATOM 792 O ALA A 47 -4.738 -26.295 -0.425 1.00 0.53 O ATOM 793 CB ALA A 47 -3.585 -23.332 0.822 1.00 0.56 C ATOM 0 H ALA A 47 -4.236 -22.082 -1.108 1.00 0.42 H new ATOM 0 HA ALA A 47 -2.924 -24.626 -0.798 1.00 0.50 H new ATOM 0 HB1 ALA A 47 -3.280 -24.039 1.594 1.00 0.56 H new ATOM 0 HB2 ALA A 47 -2.802 -22.586 0.683 1.00 0.56 H new ATOM 0 HB3 ALA A 47 -4.507 -22.837 1.127 1.00 0.56 H new ATOM 799 N ILE A 48 -6.174 -24.633 -0.188 1.00 0.45 N ATOM 800 CA ILE A 48 -7.330 -25.575 -0.078 1.00 0.52 C ATOM 801 C ILE A 48 -7.440 -26.386 -1.376 1.00 0.53 C ATOM 802 O ILE A 48 -7.591 -27.594 -1.353 1.00 0.59 O ATOM 803 CB ILE A 48 -8.565 -24.684 0.118 1.00 0.58 C ATOM 804 CG1 ILE A 48 -8.569 -24.113 1.538 1.00 0.66 C ATOM 805 CG2 ILE A 48 -9.838 -25.509 -0.090 1.00 0.71 C ATOM 806 CD1 ILE A 48 -9.505 -22.903 1.601 1.00 0.73 C ATOM 0 H ILE A 48 -6.414 -23.643 -0.125 1.00 0.45 H new ATOM 0 HA ILE A 48 -7.223 -26.283 0.744 1.00 0.52 H new ATOM 0 HB ILE A 48 -8.533 -23.870 -0.607 1.00 0.58 H new ATOM 0 HG12 ILE A 48 -8.894 -24.875 2.246 1.00 0.66 H new ATOM 0 HG13 ILE A 48 -7.559 -23.820 1.826 1.00 0.66 H new ATOM 0 HG21 ILE A 48 -10.711 -24.872 0.050 1.00 0.71 H new ATOM 0 HG22 ILE A 48 -9.846 -25.918 -1.100 1.00 0.71 H new ATOM 0 HG23 ILE A 48 -9.865 -26.325 0.632 1.00 0.71 H new ATOM 0 HD11 ILE A 48 -9.507 -22.497 2.613 1.00 0.73 H new ATOM 0 HD12 ILE A 48 -9.160 -22.139 0.904 1.00 0.73 H new ATOM 0 HD13 ILE A 48 -10.515 -23.210 1.331 1.00 0.73 H new ATOM 818 N ILE A 49 -7.341 -25.729 -2.508 1.00 0.51 N ATOM 819 CA ILE A 49 -7.416 -26.457 -3.815 1.00 0.61 C ATOM 820 C ILE A 49 -6.281 -27.480 -3.900 1.00 0.63 C ATOM 821 O ILE A 49 -6.502 -28.642 -4.179 1.00 0.71 O ATOM 822 CB ILE A 49 -7.248 -25.382 -4.889 1.00 0.65 C ATOM 823 CG1 ILE A 49 -8.440 -24.418 -4.853 1.00 0.68 C ATOM 824 CG2 ILE A 49 -7.176 -26.036 -6.272 1.00 0.78 C ATOM 825 CD1 ILE A 49 -8.079 -23.129 -5.597 1.00 0.74 C ATOM 0 H ILE A 49 -7.211 -24.720 -2.583 1.00 0.51 H new ATOM 0 HA ILE A 49 -8.354 -26.999 -3.934 1.00 0.61 H new ATOM 0 HB ILE A 49 -6.327 -24.832 -4.695 1.00 0.65 H new ATOM 0 HG12 ILE A 49 -9.312 -24.884 -5.313 1.00 0.68 H new ATOM 0 HG13 ILE A 49 -8.707 -24.192 -3.821 1.00 0.68 H new ATOM 0 HG21 ILE A 49 -7.056 -25.265 -7.033 1.00 0.78 H new ATOM 0 HG22 ILE A 49 -6.326 -26.717 -6.309 1.00 0.78 H new ATOM 0 HG23 ILE A 49 -8.095 -26.592 -6.460 1.00 0.78 H new ATOM 0 HD11 ILE A 49 -8.927 -22.444 -5.571 1.00 0.74 H new ATOM 0 HD12 ILE A 49 -7.219 -22.661 -5.117 1.00 0.74 H new ATOM 0 HD13 ILE A 49 -7.834 -23.363 -6.633 1.00 0.74 H new