USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 694 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 63 GLN : amide:sc= -4.6! C(o=-4.6!,f=-5.3!) USER MOD Single : A 66 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.22) USER MOD Single : A 67 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.022) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 75:sc= -8.27! USER MOD Single : A 81 MET CE :methyl 171:sc= 0 (180deg=-0.00604) USER MOD Single : A 87 THR OG1 : rot -17:sc= -4.19! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.41) USER MOD Single : B 66 HIS : no HD1:sc= -0.505 X(o=-0.51,f=-0.26) USER MOD Single : B 67 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.025) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot -25:sc= -2.31! USER MOD Single : B 81 MET CE :methyl -117:sc= -0.0638 (180deg=-0.429) USER MOD Single : B 87 THR OG1 : rot 78:sc= -4.27! USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 LYS NZ :NH3+ 161:sc= -0.0113 (180deg=-0.107) USER MOD Single : B 101 LYS NZ :NH3+ 157:sc= -0.0243 (180deg=-0.273) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 62 -21.963 17.007 16.340 1.00 18.74 N ATOM 2 CA VAL A 62 -22.581 15.727 16.786 1.00 18.11 C ATOM 3 C VAL A 62 -23.547 15.227 15.709 1.00 17.30 C ATOM 4 O VAL A 62 -24.000 15.980 14.870 1.00 17.26 O ATOM 5 CB VAL A 62 -23.343 15.957 18.092 1.00 18.42 C ATOM 6 CG1 VAL A 62 -23.628 14.610 18.760 1.00 18.58 C ATOM 7 CG2 VAL A 62 -22.496 16.821 19.028 1.00 18.59 C ATOM 0 HA VAL A 62 -21.802 14.982 16.949 1.00 18.11 H new ATOM 0 HB VAL A 62 -24.285 16.464 17.880 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -24.171 14.773 19.691 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -24.229 13.993 18.092 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -22.687 14.103 18.973 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -23.037 16.986 19.960 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -21.555 16.313 19.240 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -22.291 17.780 18.552 1.00 18.59 H new ATOM 19 N GLN A 63 -23.866 13.961 15.726 1.00 16.78 N ATOM 20 CA GLN A 63 -24.802 13.415 14.701 1.00 16.11 C ATOM 21 C GLN A 63 -25.030 11.926 14.963 1.00 15.69 C ATOM 22 O GLN A 63 -24.196 11.254 15.539 1.00 15.68 O ATOM 23 CB GLN A 63 -24.196 13.599 13.308 1.00 16.10 C ATOM 24 CG GLN A 63 -22.822 12.929 13.256 1.00 15.49 C ATOM 25 CD GLN A 63 -22.944 11.565 12.574 1.00 15.09 C ATOM 26 OE1 GLN A 63 -23.737 11.395 11.669 1.00 15.39 O ATOM 27 NE2 GLN A 63 -22.187 10.580 12.973 1.00 14.56 N ATOM 0 H GLN A 63 -23.520 13.282 16.404 1.00 16.78 H new ATOM 0 HA GLN A 63 -25.753 13.945 14.757 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -24.853 13.165 12.554 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -24.104 14.660 13.077 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -22.119 13.559 12.710 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -22.426 12.809 14.264 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -21.522 10.724 13.733 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -22.261 9.667 12.525 1.00 14.56 H new ATOM 36 N LEU A 64 -26.150 11.401 14.548 1.00 15.49 N ATOM 37 CA LEU A 64 -26.418 9.954 14.778 1.00 15.26 C ATOM 38 C LEU A 64 -25.260 9.130 14.219 1.00 14.77 C ATOM 39 O LEU A 64 -24.365 9.650 13.583 1.00 14.94 O ATOM 40 CB LEU A 64 -27.716 9.546 14.077 1.00 15.58 C ATOM 41 CG LEU A 64 -27.653 9.947 12.602 1.00 15.97 C ATOM 42 CD1 LEU A 64 -27.986 8.735 11.729 1.00 16.71 C ATOM 43 CD2 LEU A 64 -28.668 11.059 12.333 1.00 16.05 C ATOM 0 H LEU A 64 -26.888 11.909 14.061 1.00 15.49 H new ATOM 0 HA LEU A 64 -26.517 9.773 15.848 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -27.866 8.470 14.165 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -28.567 10.027 14.559 1.00 15.58 H new ATOM 0 HG LEU A 64 -26.650 10.303 12.365 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -27.941 9.020 10.678 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -27.265 7.940 11.920 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -28.989 8.380 11.966 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -28.624 11.345 11.282 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -29.670 10.702 12.570 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -28.434 11.923 12.955 1.00 16.05 H new ATOM 55 N ALA A 65 -25.268 7.847 14.450 1.00 14.32 N ATOM 56 CA ALA A 65 -24.167 6.992 13.929 1.00 14.03 C ATOM 57 C ALA A 65 -24.572 5.519 14.036 1.00 13.34 C ATOM 58 O ALA A 65 -24.564 4.942 15.104 1.00 13.29 O ATOM 59 CB ALA A 65 -22.901 7.234 14.752 1.00 14.31 C ATOM 0 H ALA A 65 -25.989 7.354 14.977 1.00 14.32 H new ATOM 0 HA ALA A 65 -23.975 7.242 12.885 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -22.094 6.608 14.371 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -22.613 8.283 14.677 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -23.092 6.984 15.796 1.00 14.31 H new ATOM 65 N HIS A 66 -24.930 4.907 12.939 1.00 12.98 N ATOM 66 CA HIS A 66 -25.336 3.475 12.984 1.00 12.48 C ATOM 67 C HIS A 66 -24.111 2.602 13.266 1.00 11.62 C ATOM 68 O HIS A 66 -23.188 3.011 13.941 1.00 11.76 O ATOM 69 CB HIS A 66 -25.948 3.080 11.639 1.00 12.81 C ATOM 70 CG HIS A 66 -26.978 4.100 11.240 1.00 13.36 C ATOM 71 ND1 HIS A 66 -26.748 5.030 10.238 1.00 13.57 N ATOM 72 CD2 HIS A 66 -28.246 4.353 11.701 1.00 13.93 C ATOM 73 CE1 HIS A 66 -27.852 5.792 10.130 1.00 14.23 C ATOM 74 NE2 HIS A 66 -28.796 5.421 11.000 1.00 14.47 N ATOM 0 H HIS A 66 -24.958 5.338 12.015 1.00 12.98 H new ATOM 0 HA HIS A 66 -26.071 3.330 13.776 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -25.170 3.016 10.878 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -26.406 2.094 11.711 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -28.742 3.805 12.489 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -27.962 6.604 9.426 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -29.721 5.833 11.123 1.00 14.47 H new ATOM 82 N HIS A 67 -24.098 1.402 12.755 1.00 10.90 N ATOM 83 CA HIS A 67 -22.936 0.499 12.994 1.00 10.21 C ATOM 84 C HIS A 67 -21.689 1.073 12.315 1.00 9.43 C ATOM 85 O HIS A 67 -21.714 2.153 11.761 1.00 9.32 O ATOM 86 CB HIS A 67 -23.244 -0.883 12.416 1.00 10.37 C ATOM 87 CG HIS A 67 -24.510 -1.414 13.034 1.00 10.53 C ATOM 88 ND1 HIS A 67 -25.427 -2.163 12.313 1.00 10.58 N ATOM 89 CD2 HIS A 67 -25.025 -1.310 14.302 1.00 10.88 C ATOM 90 CE1 HIS A 67 -26.436 -2.477 13.145 1.00 10.97 C ATOM 91 NE2 HIS A 67 -26.242 -1.982 14.369 1.00 11.15 N ATOM 0 H HIS A 67 -24.843 1.007 12.181 1.00 10.90 H new ATOM 0 HA HIS A 67 -22.754 0.415 14.065 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -23.354 -0.820 11.333 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -22.416 -1.564 12.614 1.00 10.37 H new ATOM 0 HD2 HIS A 67 -24.557 -0.787 15.123 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -27.299 -3.059 12.857 1.00 10.97 H new ATOM 0 HE2 HIS A 67 -26.854 -2.076 15.180 1.00 11.15 H new ATOM 99 N PHE A 68 -20.598 0.355 12.354 1.00 9.11 N ATOM 100 CA PHE A 68 -19.350 0.857 11.712 1.00 8.55 C ATOM 101 C PHE A 68 -18.953 -0.077 10.565 1.00 7.46 C ATOM 102 O PHE A 68 -18.050 0.209 9.805 1.00 7.39 O ATOM 103 CB PHE A 68 -18.224 0.893 12.749 1.00 8.98 C ATOM 104 CG PHE A 68 -17.974 2.319 13.177 1.00 9.76 C ATOM 105 CD1 PHE A 68 -18.954 3.016 13.896 1.00 10.19 C ATOM 106 CD2 PHE A 68 -16.764 2.945 12.858 1.00 10.29 C ATOM 107 CE1 PHE A 68 -18.722 4.338 14.294 1.00 11.10 C ATOM 108 CE2 PHE A 68 -16.532 4.267 13.257 1.00 11.19 C ATOM 109 CZ PHE A 68 -17.512 4.963 13.975 1.00 11.57 C ATOM 0 H PHE A 68 -20.518 -0.557 12.803 1.00 9.11 H new ATOM 0 HA PHE A 68 -19.521 1.860 11.322 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -18.492 0.285 13.613 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -17.315 0.464 12.328 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -19.888 2.534 14.143 1.00 10.19 H new ATOM 0 HD2 PHE A 68 -16.008 2.408 12.304 1.00 10.29 H new ATOM 0 HE1 PHE A 68 -19.478 4.876 14.848 1.00 11.10 H new ATOM 0 HE2 PHE A 68 -15.598 4.750 13.011 1.00 11.19 H new ATOM 0 HZ PHE A 68 -17.334 5.983 14.283 1.00 11.57 H new ATOM 119 N SER A 69 -19.619 -1.192 10.437 1.00 6.86 N ATOM 120 CA SER A 69 -19.279 -2.145 9.342 1.00 6.01 C ATOM 121 C SER A 69 -19.130 -1.384 8.021 1.00 5.07 C ATOM 122 O SER A 69 -19.652 -0.299 7.858 1.00 5.28 O ATOM 123 CB SER A 69 -20.395 -3.182 9.209 1.00 6.54 C ATOM 124 OG SER A 69 -21.654 -2.529 9.302 1.00 7.08 O ATOM 0 H SER A 69 -20.385 -1.485 11.044 1.00 6.86 H new ATOM 0 HA SER A 69 -18.339 -2.645 9.577 1.00 6.01 H new ATOM 0 HB2 SER A 69 -20.312 -3.703 8.255 1.00 6.54 H new ATOM 0 HB3 SER A 69 -20.304 -3.935 9.992 1.00 6.54 H new ATOM 0 HG SER A 69 -22.372 -3.190 9.216 1.00 7.08 H new ATOM 130 N GLU A 70 -18.423 -1.946 7.077 1.00 4.41 N ATOM 131 CA GLU A 70 -18.243 -1.254 5.768 1.00 3.84 C ATOM 132 C GLU A 70 -18.390 -2.266 4.626 1.00 2.84 C ATOM 133 O GLU A 70 -18.163 -3.444 4.811 1.00 3.00 O ATOM 134 CB GLU A 70 -16.850 -0.623 5.711 1.00 4.55 C ATOM 135 CG GLU A 70 -16.806 0.606 6.622 1.00 5.41 C ATOM 136 CD GLU A 70 -17.076 1.864 5.793 1.00 6.00 C ATOM 137 OE1 GLU A 70 -16.857 1.819 4.595 1.00 6.49 O ATOM 138 OE2 GLU A 70 -17.495 2.852 6.373 1.00 6.28 O ATOM 0 H GLU A 70 -17.963 -2.853 7.156 1.00 4.41 H new ATOM 0 HA GLU A 70 -19.000 -0.477 5.664 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -16.098 -1.348 6.024 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -16.610 -0.338 4.687 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -17.550 0.512 7.413 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -15.832 0.678 7.106 1.00 5.41 H new ATOM 145 N PRO A 71 -18.765 -1.769 3.472 1.00 2.18 N ATOM 146 CA PRO A 71 -18.951 -2.610 2.276 1.00 1.51 C ATOM 147 C PRO A 71 -17.636 -3.304 1.903 1.00 1.23 C ATOM 148 O PRO A 71 -16.588 -3.002 2.439 1.00 1.13 O ATOM 149 CB PRO A 71 -19.381 -1.633 1.171 1.00 1.87 C ATOM 150 CG PRO A 71 -19.446 -0.216 1.795 1.00 2.49 C ATOM 151 CD PRO A 71 -19.035 -0.334 3.271 1.00 2.65 C ATOM 0 HA PRO A 71 -19.687 -3.398 2.434 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -18.671 -1.655 0.344 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -20.352 -1.917 0.765 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -18.780 0.465 1.266 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -20.453 0.193 1.710 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -18.152 0.269 3.485 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -19.828 0.016 3.932 1.00 2.65 H new ATOM 159 N GLU A 72 -17.686 -4.233 0.987 1.00 1.29 N ATOM 160 CA GLU A 72 -16.444 -4.951 0.581 1.00 1.13 C ATOM 161 C GLU A 72 -15.457 -3.964 -0.044 1.00 1.00 C ATOM 162 O GLU A 72 -14.473 -3.593 0.561 1.00 0.97 O ATOM 163 CB GLU A 72 -16.792 -6.036 -0.439 1.00 1.32 C ATOM 164 CG GLU A 72 -17.784 -7.024 0.180 1.00 1.94 C ATOM 165 CD GLU A 72 -19.052 -7.076 -0.673 1.00 2.47 C ATOM 166 OE1 GLU A 72 -19.279 -6.138 -1.420 1.00 2.89 O ATOM 167 OE2 GLU A 72 -19.776 -8.052 -0.566 1.00 3.01 O ATOM 0 H GLU A 72 -18.534 -4.526 0.502 1.00 1.29 H new ATOM 0 HA GLU A 72 -15.990 -5.408 1.460 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -17.223 -5.584 -1.333 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -15.888 -6.560 -0.751 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -17.335 -8.015 0.243 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -18.030 -6.720 1.197 1.00 1.94 H new ATOM 174 N ILE A 73 -15.711 -3.543 -1.255 1.00 0.99 N ATOM 175 CA ILE A 73 -14.788 -2.590 -1.927 1.00 0.91 C ATOM 176 C ILE A 73 -14.315 -1.527 -0.930 1.00 0.80 C ATOM 177 O ILE A 73 -13.184 -1.083 -0.971 1.00 0.74 O ATOM 178 CB ILE A 73 -15.519 -1.924 -3.097 1.00 1.03 C ATOM 179 CG1 ILE A 73 -14.486 -1.342 -4.057 1.00 1.05 C ATOM 180 CG2 ILE A 73 -16.429 -0.805 -2.584 1.00 1.28 C ATOM 181 CD1 ILE A 73 -14.553 -2.089 -5.388 1.00 1.48 C ATOM 0 H ILE A 73 -16.522 -3.821 -1.807 1.00 0.99 H new ATOM 0 HA ILE A 73 -13.917 -3.128 -2.301 1.00 0.91 H new ATOM 0 HB ILE A 73 -16.131 -2.665 -3.611 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -14.676 -0.280 -4.213 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -13.487 -1.427 -3.629 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -16.943 -0.340 -3.425 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -17.164 -1.221 -1.895 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -15.829 -0.057 -2.066 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -13.816 -1.675 -6.075 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -14.342 -3.146 -5.223 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -15.549 -1.981 -5.816 1.00 1.48 H new ATOM 193 N THR A 74 -15.168 -1.116 -0.033 1.00 0.81 N ATOM 194 CA THR A 74 -14.763 -0.086 0.965 1.00 0.76 C ATOM 195 C THR A 74 -13.664 -0.656 1.866 1.00 0.68 C ATOM 196 O THR A 74 -12.662 -0.017 2.123 1.00 0.62 O ATOM 197 CB THR A 74 -15.972 0.309 1.819 1.00 0.86 C ATOM 198 OG1 THR A 74 -16.909 -0.759 1.832 1.00 1.35 O ATOM 199 CG2 THR A 74 -16.627 1.561 1.234 1.00 1.19 C ATOM 0 H THR A 74 -16.128 -1.449 0.052 1.00 0.81 H new ATOM 0 HA THR A 74 -14.388 0.795 0.444 1.00 0.76 H new ATOM 0 HB THR A 74 -15.645 0.518 2.838 1.00 0.86 H new ATOM 0 HG1 THR A 74 -16.581 -1.475 2.415 1.00 1.35 H new ATOM 0 HG21 THR A 74 -17.487 1.840 1.843 1.00 1.19 H new ATOM 0 HG22 THR A 74 -15.907 2.379 1.227 1.00 1.19 H new ATOM 0 HG23 THR A 74 -16.955 1.357 0.215 1.00 1.19 H new ATOM 207 N LEU A 75 -13.844 -1.849 2.357 1.00 0.72 N ATOM 208 CA LEU A 75 -12.806 -2.443 3.246 1.00 0.69 C ATOM 209 C LEU A 75 -11.631 -2.949 2.411 1.00 0.58 C ATOM 210 O LEU A 75 -10.486 -2.697 2.731 1.00 0.50 O ATOM 211 CB LEU A 75 -13.394 -3.614 4.037 1.00 0.82 C ATOM 212 CG LEU A 75 -12.770 -3.655 5.436 1.00 0.88 C ATOM 213 CD1 LEU A 75 -13.046 -5.014 6.080 1.00 0.87 C ATOM 214 CD2 LEU A 75 -11.257 -3.443 5.334 1.00 1.02 C ATOM 0 H LEU A 75 -14.660 -2.437 2.183 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.462 -1.673 3.937 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -14.476 -3.507 4.114 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -13.202 -4.551 3.515 1.00 0.82 H new ATOM 0 HG LEU A 75 -13.207 -2.865 6.046 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -12.602 -5.042 7.075 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -14.122 -5.167 6.159 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.611 -5.803 5.466 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -10.817 -3.473 6.331 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -10.820 -4.231 4.721 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -11.055 -2.474 4.877 1.00 1.02 H new ATOM 226 N ILE A 76 -11.885 -3.670 1.352 1.00 0.62 N ATOM 227 CA ILE A 76 -10.744 -4.177 0.542 1.00 0.57 C ATOM 228 C ILE A 76 -9.896 -2.992 0.083 1.00 0.45 C ATOM 229 O ILE A 76 -8.690 -2.981 0.244 1.00 0.38 O ATOM 230 CB ILE A 76 -11.278 -4.923 -0.688 1.00 0.69 C ATOM 231 CG1 ILE A 76 -12.272 -6.001 -0.253 1.00 0.91 C ATOM 232 CG2 ILE A 76 -10.113 -5.582 -1.428 1.00 0.76 C ATOM 233 CD1 ILE A 76 -13.084 -6.461 -1.466 1.00 1.10 C ATOM 0 H ILE A 76 -12.815 -3.925 1.019 1.00 0.62 H new ATOM 0 HA ILE A 76 -10.140 -4.857 1.144 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.780 -4.214 -1.346 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -11.741 -6.846 0.185 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -12.937 -5.609 0.517 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -10.491 -6.112 -2.302 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.405 -4.817 -1.746 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.612 -6.287 -0.764 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -13.793 -7.229 -1.159 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.626 -5.613 -1.884 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -12.411 -6.869 -2.221 1.00 1.10 H new ATOM 245 N ILE A 77 -10.515 -1.975 -0.455 1.00 0.44 N ATOM 246 CA ILE A 77 -9.735 -0.782 -0.880 1.00 0.36 C ATOM 247 C ILE A 77 -8.988 -0.218 0.332 1.00 0.28 C ATOM 248 O ILE A 77 -7.813 0.086 0.269 1.00 0.25 O ATOM 249 CB ILE A 77 -10.669 0.277 -1.476 1.00 0.39 C ATOM 250 CG1 ILE A 77 -9.845 1.271 -2.298 1.00 1.21 C ATOM 251 CG2 ILE A 77 -11.399 1.024 -0.360 1.00 1.18 C ATOM 252 CD1 ILE A 77 -10.677 1.779 -3.477 1.00 1.58 C ATOM 0 H ILE A 77 -11.521 -1.921 -0.617 1.00 0.44 H new ATOM 0 HA ILE A 77 -9.015 -1.069 -1.647 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.404 -0.213 -2.114 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -9.536 2.108 -1.671 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -8.936 0.792 -2.662 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -12.060 1.774 -0.796 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -11.988 0.318 0.226 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -10.671 1.514 0.287 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -10.088 2.486 -4.060 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -10.964 0.938 -4.109 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -11.573 2.275 -3.103 1.00 1.58 H new ATOM 264 N PHE A 78 -9.677 -0.064 1.436 1.00 0.31 N ATOM 265 CA PHE A 78 -9.023 0.493 2.658 1.00 0.32 C ATOM 266 C PHE A 78 -7.817 -0.360 3.053 1.00 0.30 C ATOM 267 O PHE A 78 -6.751 0.154 3.328 1.00 0.30 O ATOM 268 CB PHE A 78 -10.020 0.513 3.823 1.00 0.41 C ATOM 269 CG PHE A 78 -10.610 1.896 3.961 1.00 0.80 C ATOM 270 CD1 PHE A 78 -11.433 2.411 2.954 1.00 1.66 C ATOM 271 CD2 PHE A 78 -10.333 2.662 5.101 1.00 1.52 C ATOM 272 CE1 PHE A 78 -11.981 3.693 3.085 1.00 2.09 C ATOM 273 CE2 PHE A 78 -10.881 3.944 5.232 1.00 1.97 C ATOM 274 CZ PHE A 78 -11.704 4.459 4.224 1.00 1.95 C ATOM 0 H PHE A 78 -10.664 -0.300 1.543 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.692 1.508 2.437 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.812 -0.216 3.650 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.520 0.226 4.748 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -11.646 1.820 2.076 1.00 1.66 H new ATOM 0 HD2 PHE A 78 -9.697 2.264 5.878 1.00 1.52 H new ATOM 0 HE1 PHE A 78 -12.617 4.091 2.308 1.00 2.09 H new ATOM 0 HE2 PHE A 78 -10.669 4.535 6.111 1.00 1.97 H new ATOM 0 HZ PHE A 78 -12.126 5.448 4.325 1.00 1.95 H new ATOM 284 N GLY A 79 -7.969 -1.657 3.095 1.00 0.31 N ATOM 285 CA GLY A 79 -6.816 -2.514 3.486 1.00 0.32 C ATOM 286 C GLY A 79 -5.644 -2.247 2.543 1.00 0.26 C ATOM 287 O GLY A 79 -4.526 -2.038 2.971 1.00 0.26 O ATOM 0 H GLY A 79 -8.833 -2.154 2.878 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.525 -2.304 4.515 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -7.099 -3.566 3.444 1.00 0.32 H new ATOM 291 N VAL A 80 -5.891 -2.233 1.263 1.00 0.23 N ATOM 292 CA VAL A 80 -4.788 -1.961 0.301 1.00 0.22 C ATOM 293 C VAL A 80 -4.161 -0.602 0.627 1.00 0.21 C ATOM 294 O VAL A 80 -2.956 -0.463 0.714 1.00 0.22 O ATOM 295 CB VAL A 80 -5.350 -1.959 -1.120 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.212 -1.756 -2.121 1.00 0.28 C ATOM 297 CG2 VAL A 80 -6.037 -3.303 -1.389 1.00 0.28 C ATOM 0 H VAL A 80 -6.806 -2.398 0.843 1.00 0.23 H new ATOM 0 HA VAL A 80 -4.023 -2.733 0.379 1.00 0.22 H new ATOM 0 HB VAL A 80 -6.071 -1.149 -1.229 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.614 -1.755 -3.134 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.720 -0.803 -1.925 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.489 -2.565 -2.019 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.441 -3.309 -2.401 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.312 -4.110 -1.283 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.847 -3.447 -0.674 1.00 0.28 H new ATOM 307 N MET A 81 -4.977 0.400 0.824 1.00 0.22 N ATOM 308 CA MET A 81 -4.444 1.751 1.162 1.00 0.25 C ATOM 309 C MET A 81 -3.590 1.649 2.425 1.00 0.27 C ATOM 310 O MET A 81 -2.492 2.165 2.492 1.00 0.28 O ATOM 311 CB MET A 81 -5.608 2.712 1.403 1.00 0.29 C ATOM 312 CG MET A 81 -6.535 2.698 0.188 1.00 0.36 C ATOM 313 SD MET A 81 -6.780 4.391 -0.402 1.00 1.07 S ATOM 314 CE MET A 81 -8.462 4.606 0.228 1.00 1.70 C ATOM 0 H MET A 81 -5.993 0.340 0.765 1.00 0.22 H new ATOM 0 HA MET A 81 -3.835 2.125 0.339 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.158 2.419 2.297 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.232 3.720 1.576 1.00 0.29 H new ATOM 0 HG2 MET A 81 -6.106 2.084 -0.604 1.00 0.36 H new ATOM 0 HG3 MET A 81 -7.493 2.251 0.453 1.00 0.36 H new ATOM 0 HE1 MET A 81 -8.762 5.648 0.116 1.00 1.70 H new ATOM 0 HE2 MET A 81 -9.145 3.969 -0.334 1.00 1.70 H new ATOM 0 HE3 MET A 81 -8.494 4.331 1.282 1.00 1.70 H new ATOM 324 N ALA A 82 -4.090 0.981 3.428 1.00 0.28 N ATOM 325 CA ALA A 82 -3.318 0.835 4.690 1.00 0.32 C ATOM 326 C ALA A 82 -1.961 0.197 4.376 1.00 0.30 C ATOM 327 O ALA A 82 -0.936 0.646 4.849 1.00 0.30 O ATOM 328 CB ALA A 82 -4.099 -0.025 5.694 1.00 0.37 C ATOM 0 H ALA A 82 -5.004 0.529 3.426 1.00 0.28 H new ATOM 0 HA ALA A 82 -3.159 1.816 5.137 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.523 -0.124 6.614 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -5.055 0.450 5.914 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.275 -1.013 5.268 1.00 0.37 H new ATOM 334 N GLY A 83 -1.936 -0.848 3.586 1.00 0.28 N ATOM 335 CA GLY A 83 -0.635 -1.493 3.264 1.00 0.27 C ATOM 336 C GLY A 83 0.305 -0.454 2.653 1.00 0.23 C ATOM 337 O GLY A 83 1.451 -0.344 3.040 1.00 0.23 O ATOM 0 H GLY A 83 -2.755 -1.276 3.155 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -0.192 -1.915 4.166 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.787 -2.317 2.567 1.00 0.27 H new ATOM 341 N VAL A 84 -0.165 0.318 1.709 1.00 0.21 N ATOM 342 CA VAL A 84 0.724 1.348 1.097 1.00 0.19 C ATOM 343 C VAL A 84 1.253 2.272 2.200 1.00 0.20 C ATOM 344 O VAL A 84 2.434 2.548 2.278 1.00 0.19 O ATOM 345 CB VAL A 84 -0.070 2.172 0.081 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.894 2.997 -0.773 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.871 1.232 -0.823 1.00 0.27 C ATOM 0 H VAL A 84 -1.115 0.281 1.339 1.00 0.21 H new ATOM 0 HA VAL A 84 1.558 0.860 0.592 1.00 0.19 H new ATOM 0 HB VAL A 84 -0.751 2.839 0.609 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.328 3.584 -1.497 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.467 3.667 -0.131 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.575 2.329 -1.301 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -1.437 1.818 -1.547 1.00 0.27 H new ATOM 0 HG22 VAL A 84 -0.189 0.565 -1.350 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -1.559 0.642 -0.217 1.00 0.27 H new ATOM 357 N ILE A 85 0.389 2.741 3.061 1.00 0.23 N ATOM 358 CA ILE A 85 0.844 3.633 4.166 1.00 0.27 C ATOM 359 C ILE A 85 1.916 2.915 4.993 1.00 0.27 C ATOM 360 O ILE A 85 2.948 3.473 5.307 1.00 0.28 O ATOM 361 CB ILE A 85 -0.343 3.986 5.064 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.292 4.919 4.309 1.00 0.67 C ATOM 363 CG2 ILE A 85 0.163 4.688 6.325 1.00 0.75 C ATOM 364 CD1 ILE A 85 -2.740 4.525 4.606 1.00 1.20 C ATOM 0 H ILE A 85 -0.612 2.545 3.046 1.00 0.23 H new ATOM 0 HA ILE A 85 1.261 4.547 3.744 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.872 3.075 5.342 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -1.117 5.952 4.608 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -1.101 4.860 3.238 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.682 4.940 6.965 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.841 4.025 6.863 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.692 5.600 6.047 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -3.416 5.190 4.068 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -2.911 3.497 4.285 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -2.927 4.607 5.677 1.00 1.20 H new ATOM 376 N GLY A 86 1.675 1.680 5.350 1.00 0.29 N ATOM 377 CA GLY A 86 2.673 0.926 6.159 1.00 0.33 C ATOM 378 C GLY A 86 4.013 0.903 5.424 1.00 0.30 C ATOM 379 O GLY A 86 5.052 1.157 6.001 1.00 0.33 O ATOM 0 H GLY A 86 0.828 1.162 5.115 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.791 1.392 7.137 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.323 -0.092 6.331 1.00 0.33 H new ATOM 383 N THR A 87 4.004 0.603 4.154 1.00 0.25 N ATOM 384 CA THR A 87 5.284 0.568 3.395 1.00 0.25 C ATOM 385 C THR A 87 5.975 1.926 3.526 1.00 0.26 C ATOM 386 O THR A 87 7.153 2.008 3.812 1.00 0.32 O ATOM 387 CB THR A 87 5.001 0.276 1.921 1.00 0.24 C ATOM 388 OG1 THR A 87 4.269 -0.938 1.814 1.00 0.34 O ATOM 389 CG2 THR A 87 6.324 0.146 1.164 1.00 0.31 C ATOM 0 H THR A 87 3.169 0.382 3.612 1.00 0.25 H new ATOM 0 HA THR A 87 5.928 -0.215 3.795 1.00 0.25 H new ATOM 0 HB THR A 87 4.418 1.091 1.492 1.00 0.24 H new ATOM 0 HG1 THR A 87 4.347 -1.442 2.651 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.123 -0.062 0.113 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.885 1.077 1.249 1.00 0.31 H new ATOM 0 HG23 THR A 87 6.908 -0.670 1.590 1.00 0.31 H new ATOM 397 N ILE A 88 5.251 2.996 3.334 1.00 0.24 N ATOM 398 CA ILE A 88 5.874 4.342 3.467 1.00 0.33 C ATOM 399 C ILE A 88 6.483 4.465 4.866 1.00 0.39 C ATOM 400 O ILE A 88 7.612 4.885 5.031 1.00 0.47 O ATOM 401 CB ILE A 88 4.808 5.423 3.271 1.00 0.37 C ATOM 402 CG1 ILE A 88 4.140 5.235 1.906 1.00 0.39 C ATOM 403 CG2 ILE A 88 5.465 6.804 3.329 1.00 0.47 C ATOM 404 CD1 ILE A 88 3.116 6.350 1.678 1.00 0.49 C ATOM 0 H ILE A 88 4.260 2.996 3.092 1.00 0.24 H new ATOM 0 HA ILE A 88 6.650 4.469 2.713 1.00 0.33 H new ATOM 0 HB ILE A 88 4.059 5.343 4.059 1.00 0.37 H new ATOM 0 HG12 ILE A 88 4.892 5.251 1.117 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.650 4.262 1.860 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.706 7.574 3.189 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.944 6.938 4.299 1.00 0.47 H new ATOM 0 HG23 ILE A 88 6.213 6.884 2.540 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.641 6.215 0.706 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.358 6.313 2.460 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.619 7.317 1.705 1.00 0.49 H new ATOM 416 N LEU A 89 5.744 4.085 5.873 1.00 0.39 N ATOM 417 CA LEU A 89 6.274 4.161 7.264 1.00 0.49 C ATOM 418 C LEU A 89 7.571 3.345 7.341 1.00 0.53 C ATOM 419 O LEU A 89 8.567 3.790 7.877 1.00 0.62 O ATOM 420 CB LEU A 89 5.203 3.626 8.243 1.00 0.53 C ATOM 421 CG LEU A 89 5.726 2.439 9.063 1.00 0.59 C ATOM 422 CD1 LEU A 89 6.812 2.921 10.028 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.575 1.825 9.862 1.00 0.65 C ATOM 0 H LEU A 89 4.793 3.724 5.792 1.00 0.39 H new ATOM 0 HA LEU A 89 6.499 5.191 7.541 1.00 0.49 H new ATOM 0 HB2 LEU A 89 4.894 4.425 8.916 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.319 3.320 7.684 1.00 0.53 H new ATOM 0 HG LEU A 89 6.144 1.691 8.390 1.00 0.59 H new ATOM 0 HD11 LEU A 89 7.183 2.077 10.610 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.633 3.360 9.462 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.394 3.670 10.701 1.00 0.68 H new ATOM 0 HD21 LEU A 89 4.946 0.982 10.445 1.00 0.65 H new ATOM 0 HD22 LEU A 89 4.158 2.575 10.534 1.00 0.65 H new ATOM 0 HD23 LEU A 89 3.800 1.480 9.177 1.00 0.65 H new ATOM 435 N LEU A 90 7.563 2.156 6.805 1.00 0.49 N ATOM 436 CA LEU A 90 8.792 1.311 6.843 1.00 0.57 C ATOM 437 C LEU A 90 9.944 2.076 6.191 1.00 0.60 C ATOM 438 O LEU A 90 11.037 2.137 6.717 1.00 0.71 O ATOM 439 CB LEU A 90 8.546 0.009 6.076 1.00 0.56 C ATOM 440 CG LEU A 90 7.716 -0.944 6.939 1.00 1.24 C ATOM 441 CD1 LEU A 90 6.791 -1.775 6.046 1.00 1.76 C ATOM 442 CD2 LEU A 90 8.650 -1.881 7.711 1.00 1.92 C ATOM 0 H LEU A 90 6.759 1.732 6.342 1.00 0.49 H new ATOM 0 HA LEU A 90 9.043 1.076 7.877 1.00 0.57 H new ATOM 0 HB2 LEU A 90 8.025 0.218 5.142 1.00 0.56 H new ATOM 0 HB3 LEU A 90 9.496 -0.456 5.813 1.00 0.56 H new ATOM 0 HG LEU A 90 7.118 -0.363 7.641 1.00 1.24 H new ATOM 0 HD11 LEU A 90 6.201 -2.453 6.664 1.00 1.76 H new ATOM 0 HD12 LEU A 90 6.123 -1.111 5.496 1.00 1.76 H new ATOM 0 HD13 LEU A 90 7.389 -2.353 5.342 1.00 1.76 H new ATOM 0 HD21 LEU A 90 8.058 -2.559 8.325 1.00 1.92 H new ATOM 0 HD22 LEU A 90 9.249 -2.458 7.007 1.00 1.92 H new ATOM 0 HD23 LEU A 90 9.308 -1.293 8.351 1.00 1.92 H new ATOM 454 N ILE A 91 9.709 2.662 5.049 1.00 0.55 N ATOM 455 CA ILE A 91 10.794 3.421 4.369 1.00 0.65 C ATOM 456 C ILE A 91 11.321 4.503 5.308 1.00 0.75 C ATOM 457 O ILE A 91 12.514 4.657 5.473 1.00 0.87 O ATOM 458 CB ILE A 91 10.244 4.076 3.101 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.707 2.994 2.160 1.00 0.58 C ATOM 460 CG2 ILE A 91 11.360 4.851 2.400 1.00 0.75 C ATOM 461 CD1 ILE A 91 8.893 3.649 1.044 1.00 0.66 C ATOM 0 H ILE A 91 8.814 2.648 4.559 1.00 0.55 H new ATOM 0 HA ILE A 91 11.602 2.739 4.105 1.00 0.65 H new ATOM 0 HB ILE A 91 9.439 4.761 3.367 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.533 2.423 1.736 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.085 2.291 2.714 1.00 0.58 H new ATOM 0 HG21 ILE A 91 10.967 5.317 1.497 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.743 5.622 3.069 1.00 0.75 H new ATOM 0 HG23 ILE A 91 12.166 4.167 2.134 1.00 0.75 H new ATOM 0 HD11 ILE A 91 8.510 2.880 0.373 1.00 0.66 H new ATOM 0 HD12 ILE A 91 8.059 4.200 1.478 1.00 0.66 H new ATOM 0 HD13 ILE A 91 9.529 4.335 0.484 1.00 0.66 H new ATOM 473 N SER A 92 10.453 5.252 5.932 1.00 0.73 N ATOM 474 CA SER A 92 10.945 6.308 6.856 1.00 0.87 C ATOM 475 C SER A 92 11.829 5.651 7.916 1.00 0.94 C ATOM 476 O SER A 92 12.926 6.094 8.188 1.00 1.07 O ATOM 477 CB SER A 92 9.759 6.996 7.532 1.00 0.86 C ATOM 478 OG SER A 92 9.519 8.246 6.899 1.00 1.29 O ATOM 0 H SER A 92 9.439 5.179 5.843 1.00 0.73 H new ATOM 0 HA SER A 92 11.515 7.053 6.301 1.00 0.87 H new ATOM 0 HB2 SER A 92 8.872 6.366 7.466 1.00 0.86 H new ATOM 0 HB3 SER A 92 9.966 7.146 8.592 1.00 0.86 H new ATOM 0 HG SER A 92 8.758 8.689 7.329 1.00 1.29 H new ATOM 484 N TYR A 93 11.372 4.581 8.502 1.00 0.89 N ATOM 485 CA TYR A 93 12.208 3.890 9.521 1.00 1.00 C ATOM 486 C TYR A 93 13.545 3.495 8.885 1.00 1.05 C ATOM 487 O TYR A 93 14.602 3.720 9.440 1.00 1.18 O ATOM 488 CB TYR A 93 11.483 2.635 10.012 1.00 0.96 C ATOM 489 CG TYR A 93 12.429 1.799 10.839 1.00 1.27 C ATOM 490 CD1 TYR A 93 12.648 2.113 12.186 1.00 1.62 C ATOM 491 CD2 TYR A 93 13.087 0.707 10.259 1.00 2.13 C ATOM 492 CE1 TYR A 93 13.525 1.338 12.952 1.00 1.95 C ATOM 493 CE2 TYR A 93 13.965 -0.069 11.025 1.00 2.53 C ATOM 494 CZ TYR A 93 14.183 0.247 12.371 1.00 2.15 C ATOM 495 OH TYR A 93 15.049 -0.517 13.127 1.00 2.64 O ATOM 0 H TYR A 93 10.462 4.157 8.321 1.00 0.89 H new ATOM 0 HA TYR A 93 12.385 4.556 10.366 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.613 2.914 10.606 1.00 0.96 H new ATOM 0 HB3 TYR A 93 11.118 2.057 9.163 1.00 0.96 H new ATOM 0 HD1 TYR A 93 12.139 2.954 12.634 1.00 1.62 H new ATOM 0 HD2 TYR A 93 12.917 0.464 9.221 1.00 2.13 H new ATOM 0 HE1 TYR A 93 13.694 1.581 13.991 1.00 1.95 H new ATOM 0 HE2 TYR A 93 14.473 -0.910 10.578 1.00 2.53 H new ATOM 0 HH TYR A 93 15.421 -1.235 12.573 1.00 2.64 H new ATOM 505 N GLY A 94 13.499 2.903 7.718 1.00 0.97 N ATOM 506 CA GLY A 94 14.755 2.486 7.035 1.00 1.05 C ATOM 507 C GLY A 94 15.674 3.691 6.830 1.00 1.16 C ATOM 508 O GLY A 94 16.856 3.632 7.104 1.00 1.29 O ATOM 0 H GLY A 94 12.641 2.691 7.209 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.265 1.728 7.629 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.520 2.032 6.073 1.00 1.05 H new ATOM 512 N ILE A 95 15.149 4.785 6.340 1.00 1.14 N ATOM 513 CA ILE A 95 16.025 5.976 6.116 1.00 1.29 C ATOM 514 C ILE A 95 16.698 6.365 7.438 1.00 1.41 C ATOM 515 O ILE A 95 17.890 6.596 7.491 1.00 1.55 O ATOM 516 CB ILE A 95 15.212 7.166 5.547 1.00 1.28 C ATOM 517 CG1 ILE A 95 14.740 8.099 6.672 1.00 1.74 C ATOM 518 CG2 ILE A 95 13.994 6.651 4.779 1.00 1.77 C ATOM 519 CD1 ILE A 95 13.873 9.213 6.082 1.00 2.19 C ATOM 0 H ILE A 95 14.168 4.906 6.089 1.00 1.14 H new ATOM 0 HA ILE A 95 16.789 5.720 5.382 1.00 1.29 H new ATOM 0 HB ILE A 95 15.863 7.725 4.875 1.00 1.28 H new ATOM 0 HG12 ILE A 95 14.172 7.535 7.412 1.00 1.74 H new ATOM 0 HG13 ILE A 95 15.599 8.527 7.188 1.00 1.74 H new ATOM 0 HG21 ILE A 95 13.430 7.495 4.383 1.00 1.77 H new ATOM 0 HG22 ILE A 95 14.324 6.018 3.956 1.00 1.77 H new ATOM 0 HG23 ILE A 95 13.359 6.072 5.450 1.00 1.77 H new ATOM 0 HD11 ILE A 95 13.538 9.875 6.881 1.00 2.19 H new ATOM 0 HD12 ILE A 95 14.456 9.783 5.358 1.00 2.19 H new ATOM 0 HD13 ILE A 95 13.007 8.776 5.586 1.00 2.19 H new ATOM 531 N ARG A 96 15.947 6.437 8.504 1.00 1.37 N ATOM 532 CA ARG A 96 16.557 6.808 9.813 1.00 1.51 C ATOM 533 C ARG A 96 17.681 5.826 10.146 1.00 1.58 C ATOM 534 O ARG A 96 18.764 6.210 10.534 1.00 1.73 O ATOM 535 CB ARG A 96 15.494 6.756 10.912 1.00 1.46 C ATOM 536 CG ARG A 96 14.629 8.016 10.848 1.00 1.73 C ATOM 537 CD ARG A 96 13.153 7.625 10.937 1.00 2.03 C ATOM 538 NE ARG A 96 12.891 6.978 12.254 1.00 2.00 N ATOM 539 CZ ARG A 96 11.665 6.824 12.673 1.00 2.45 C ATOM 540 NH1 ARG A 96 10.731 6.457 11.838 1.00 3.14 N ATOM 541 NH2 ARG A 96 11.373 7.034 13.928 1.00 2.76 N ATOM 0 H ARG A 96 14.943 6.256 8.525 1.00 1.37 H new ATOM 0 HA ARG A 96 16.960 7.819 9.749 1.00 1.51 H new ATOM 0 HB2 ARG A 96 14.872 5.869 10.789 1.00 1.46 H new ATOM 0 HB3 ARG A 96 15.970 6.679 11.889 1.00 1.46 H new ATOM 0 HG2 ARG A 96 14.888 8.690 11.665 1.00 1.73 H new ATOM 0 HG3 ARG A 96 14.819 8.554 9.919 1.00 1.73 H new ATOM 0 HD2 ARG A 96 12.524 8.508 10.821 1.00 2.03 H new ATOM 0 HD3 ARG A 96 12.897 6.943 10.127 1.00 2.03 H new ATOM 0 HE ARG A 96 13.670 6.656 12.828 1.00 2.00 H new ATOM 0 HH11 ARG A 96 10.960 6.291 10.858 1.00 3.14 H new ATOM 0 HH12 ARG A 96 9.773 6.337 12.166 1.00 3.14 H new ATOM 0 HH21 ARG A 96 12.103 7.318 14.581 1.00 2.76 H new ATOM 0 HH22 ARG A 96 10.415 6.914 14.256 1.00 2.76 H new ATOM 555 N ARG A 97 17.435 4.556 10.009 1.00 1.50 N ATOM 556 CA ARG A 97 18.503 3.569 10.320 1.00 1.59 C ATOM 557 C ARG A 97 19.737 3.850 9.457 1.00 1.69 C ATOM 558 O ARG A 97 20.852 3.875 9.939 1.00 1.84 O ATOM 559 CB ARG A 97 17.996 2.151 10.045 1.00 1.50 C ATOM 560 CG ARG A 97 19.121 1.148 10.301 1.00 1.77 C ATOM 561 CD ARG A 97 18.524 -0.234 10.579 1.00 2.23 C ATOM 562 NE ARG A 97 19.149 -0.815 11.802 1.00 2.70 N ATOM 563 CZ ARG A 97 20.414 -0.611 12.053 1.00 3.07 C ATOM 564 NH1 ARG A 97 21.321 -1.015 11.206 1.00 3.58 N ATOM 565 NH2 ARG A 97 20.772 -0.001 13.151 1.00 3.56 N ATOM 0 H ARG A 97 16.548 4.160 9.698 1.00 1.50 H new ATOM 0 HA ARG A 97 18.772 3.657 11.373 1.00 1.59 H new ATOM 0 HB2 ARG A 97 17.143 1.928 10.686 1.00 1.50 H new ATOM 0 HB3 ARG A 97 17.650 2.071 9.014 1.00 1.50 H new ATOM 0 HG2 ARG A 97 19.784 1.102 9.437 1.00 1.77 H new ATOM 0 HG3 ARG A 97 19.724 1.472 11.149 1.00 1.77 H new ATOM 0 HD2 ARG A 97 17.445 -0.154 10.713 1.00 2.23 H new ATOM 0 HD3 ARG A 97 18.692 -0.891 9.726 1.00 2.23 H new ATOM 0 HE ARG A 97 18.587 -1.373 12.444 1.00 2.70 H new ATOM 0 HH11 ARG A 97 21.042 -1.490 10.348 1.00 3.58 H new ATOM 0 HH12 ARG A 97 22.309 -0.856 11.402 1.00 3.58 H new ATOM 0 HH21 ARG A 97 20.063 0.316 13.813 1.00 3.56 H new ATOM 0 HH22 ARG A 97 21.760 0.158 13.347 1.00 3.56 H new ATOM 579 N LEU A 98 19.543 4.050 8.181 1.00 1.64 N ATOM 580 CA LEU A 98 20.699 4.316 7.277 1.00 1.75 C ATOM 581 C LEU A 98 21.478 5.538 7.766 1.00 1.91 C ATOM 582 O LEU A 98 22.690 5.519 7.851 1.00 2.05 O ATOM 583 CB LEU A 98 20.183 4.574 5.860 1.00 1.69 C ATOM 584 CG LEU A 98 20.188 3.266 5.068 1.00 2.11 C ATOM 585 CD1 LEU A 98 19.231 3.386 3.881 1.00 2.66 C ATOM 586 CD2 LEU A 98 21.604 2.988 4.556 1.00 2.38 C ATOM 0 H LEU A 98 18.631 4.041 7.725 1.00 1.64 H new ATOM 0 HA LEU A 98 21.361 3.450 7.277 1.00 1.75 H new ATOM 0 HB2 LEU A 98 19.174 4.984 5.898 1.00 1.69 H new ATOM 0 HB3 LEU A 98 20.809 5.315 5.363 1.00 1.69 H new ATOM 0 HG LEU A 98 19.866 2.448 5.712 1.00 2.11 H new ATOM 0 HD11 LEU A 98 19.234 2.454 3.316 1.00 2.66 H new ATOM 0 HD12 LEU A 98 18.223 3.587 4.245 1.00 2.66 H new ATOM 0 HD13 LEU A 98 19.553 4.203 3.235 1.00 2.66 H new ATOM 0 HD21 LEU A 98 21.610 2.056 3.991 1.00 2.38 H new ATOM 0 HD22 LEU A 98 21.925 3.806 3.911 1.00 2.38 H new ATOM 0 HD23 LEU A 98 22.287 2.904 5.402 1.00 2.38 H new ATOM 598 N ILE A 99 20.795 6.603 8.084 1.00 1.90 N ATOM 599 CA ILE A 99 21.501 7.827 8.560 1.00 2.06 C ATOM 600 C ILE A 99 21.835 7.685 10.046 1.00 2.14 C ATOM 601 O ILE A 99 22.314 8.609 10.674 1.00 2.20 O ATOM 602 CB ILE A 99 20.600 9.044 8.354 1.00 2.05 C ATOM 603 CG1 ILE A 99 19.214 8.744 8.923 1.00 1.98 C ATOM 604 CG2 ILE A 99 20.484 9.349 6.859 1.00 2.03 C ATOM 605 CD1 ILE A 99 18.882 9.757 10.018 1.00 2.00 C ATOM 0 H ILE A 99 19.779 6.679 8.035 1.00 1.90 H new ATOM 0 HA ILE A 99 22.424 7.955 7.995 1.00 2.06 H new ATOM 0 HB ILE A 99 21.028 9.907 8.865 1.00 2.05 H new ATOM 0 HG12 ILE A 99 18.466 8.790 8.131 1.00 1.98 H new ATOM 0 HG13 ILE A 99 19.187 7.732 9.328 1.00 1.98 H new ATOM 0 HG21 ILE A 99 19.841 10.217 6.714 1.00 2.03 H new ATOM 0 HG22 ILE A 99 21.474 9.558 6.452 1.00 2.03 H new ATOM 0 HG23 ILE A 99 20.055 8.489 6.345 1.00 2.03 H new ATOM 0 HD11 ILE A 99 17.893 9.543 10.424 1.00 2.00 H new ATOM 0 HD12 ILE A 99 19.624 9.689 10.814 1.00 2.00 H new ATOM 0 HD13 ILE A 99 18.892 10.763 9.598 1.00 2.00 H new ATOM 617 N LYS A 100 21.590 6.537 10.615 1.00 2.35 N ATOM 618 CA LYS A 100 21.897 6.343 12.060 1.00 2.45 C ATOM 619 C LYS A 100 22.725 5.070 12.237 1.00 2.85 C ATOM 620 O LYS A 100 22.208 4.025 12.580 1.00 3.21 O ATOM 621 CB LYS A 100 20.593 6.222 12.851 1.00 2.30 C ATOM 622 CG LYS A 100 20.811 6.737 14.275 1.00 2.60 C ATOM 623 CD LYS A 100 20.446 8.221 14.345 1.00 2.94 C ATOM 624 CE LYS A 100 21.661 9.026 14.809 1.00 3.56 C ATOM 625 NZ LYS A 100 21.408 9.562 16.176 1.00 3.91 N ATOM 0 H LYS A 100 21.191 5.726 10.143 1.00 2.35 H new ATOM 0 HA LYS A 100 22.463 7.199 12.429 1.00 2.45 H new ATOM 0 HB2 LYS A 100 19.804 6.794 12.363 1.00 2.30 H new ATOM 0 HB3 LYS A 100 20.265 5.183 12.875 1.00 2.30 H new ATOM 0 HG2 LYS A 100 20.200 6.168 14.976 1.00 2.60 H new ATOM 0 HG3 LYS A 100 21.851 6.593 14.569 1.00 2.60 H new ATOM 0 HD2 LYS A 100 20.117 8.572 13.367 1.00 2.94 H new ATOM 0 HD3 LYS A 100 19.614 8.369 15.033 1.00 2.94 H new ATOM 0 HE2 LYS A 100 22.549 8.394 14.813 1.00 3.56 H new ATOM 0 HE3 LYS A 100 21.855 9.845 14.116 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 22.234 10.110 16.492 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 20.570 10.178 16.158 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 21.243 8.773 16.833 1.00 3.91 H new ATOM 639 N LYS A 101 24.006 5.148 12.004 1.00 3.09 N ATOM 640 CA LYS A 101 24.867 3.940 12.158 1.00 3.63 C ATOM 641 C LYS A 101 24.599 2.974 11.001 1.00 4.10 C ATOM 642 O LYS A 101 23.439 2.704 10.738 1.00 4.56 O ATOM 643 CB LYS A 101 24.545 3.252 13.485 1.00 3.99 C ATOM 644 CG LYS A 101 25.843 2.980 14.249 1.00 4.58 C ATOM 645 CD LYS A 101 25.744 1.629 14.961 1.00 5.25 C ATOM 646 CE LYS A 101 26.000 0.502 13.958 1.00 6.09 C ATOM 647 NZ LYS A 101 25.934 -0.812 14.657 1.00 6.53 N ATOM 648 OXT LYS A 101 25.559 2.523 10.399 1.00 4.44 O ATOM 0 H LYS A 101 24.494 5.995 11.714 1.00 3.09 H new ATOM 0 HA LYS A 101 25.916 4.235 12.148 1.00 3.63 H new ATOM 0 HB2 LYS A 101 23.885 3.881 14.082 1.00 3.99 H new ATOM 0 HB3 LYS A 101 24.015 2.317 13.303 1.00 3.99 H new ATOM 0 HG2 LYS A 101 26.689 2.979 13.561 1.00 4.58 H new ATOM 0 HG3 LYS A 101 26.023 3.773 14.975 1.00 4.58 H new ATOM 0 HD2 LYS A 101 26.470 1.580 15.772 1.00 5.25 H new ATOM 0 HD3 LYS A 101 24.757 1.514 15.409 1.00 5.25 H new ATOM 0 HE2 LYS A 101 25.260 0.538 13.158 1.00 6.09 H new ATOM 0 HE3 LYS A 101 26.978 0.630 13.493 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 26.108 -1.577 13.975 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 26.656 -0.844 15.405 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 24.992 -0.933 15.080 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 0.377 -23.034 11.462 1.00 19.64 N ATOM 664 CA VAL B 62 -0.845 -22.454 12.086 1.00 19.45 C ATOM 665 C VAL B 62 -2.088 -23.019 11.394 1.00 18.79 C ATOM 666 O VAL B 62 -2.003 -23.646 10.358 1.00 19.02 O ATOM 667 CB VAL B 62 -0.821 -20.931 11.934 1.00 19.77 C ATOM 668 CG1 VAL B 62 0.322 -20.356 12.772 1.00 20.22 C ATOM 669 CG2 VAL B 62 -0.606 -20.570 10.462 1.00 19.99 C ATOM 0 HA VAL B 62 -0.871 -22.712 13.145 1.00 19.45 H new ATOM 0 HB VAL B 62 -1.769 -20.515 12.276 1.00 19.77 H new ATOM 0 HG11 VAL B 62 0.341 -19.271 12.665 1.00 20.22 H new ATOM 0 HG12 VAL B 62 0.171 -20.615 13.820 1.00 20.22 H new ATOM 0 HG13 VAL B 62 1.270 -20.771 12.429 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -0.589 -19.486 10.352 1.00 19.99 H new ATOM 0 HG22 VAL B 62 0.342 -20.985 10.120 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -1.419 -20.982 9.864 1.00 19.99 H new ATOM 681 N GLN B 63 -3.243 -22.805 11.963 1.00 18.10 N ATOM 682 CA GLN B 63 -4.490 -23.334 11.342 1.00 17.56 C ATOM 683 C GLN B 63 -5.514 -22.205 11.215 1.00 16.86 C ATOM 684 O GLN B 63 -6.707 -22.432 11.195 1.00 16.59 O ATOM 685 CB GLN B 63 -5.062 -24.446 12.224 1.00 17.30 C ATOM 686 CG GLN B 63 -6.280 -25.082 11.545 1.00 17.01 C ATOM 687 CD GLN B 63 -5.991 -25.301 10.058 1.00 16.75 C ATOM 688 OE1 GLN B 63 -5.303 -26.232 9.691 1.00 17.03 O ATOM 689 NE2 GLN B 63 -6.490 -24.474 9.182 1.00 16.36 N ATOM 0 H GLN B 63 -3.377 -22.287 12.831 1.00 18.10 H new ATOM 0 HA GLN B 63 -4.266 -23.732 10.353 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -4.300 -25.204 12.407 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -5.347 -24.041 13.195 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -6.518 -26.033 12.022 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -7.151 -24.438 11.664 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -7.068 -23.692 9.490 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -6.302 -24.609 8.189 1.00 16.36 H new ATOM 698 N LEU B 64 -5.054 -20.989 11.133 1.00 16.69 N ATOM 699 CA LEU B 64 -5.995 -19.841 11.011 1.00 16.15 C ATOM 700 C LEU B 64 -6.552 -19.772 9.586 1.00 15.61 C ATOM 701 O LEU B 64 -7.317 -18.890 9.253 1.00 15.57 O ATOM 702 CB LEU B 64 -5.254 -18.541 11.330 1.00 16.73 C ATOM 703 CG LEU B 64 -6.114 -17.677 12.253 1.00 16.88 C ATOM 704 CD1 LEU B 64 -5.981 -18.179 13.692 1.00 17.47 C ATOM 705 CD2 LEU B 64 -5.641 -16.224 12.176 1.00 17.27 C ATOM 0 H LEU B 64 -4.065 -20.739 11.145 1.00 16.69 H new ATOM 0 HA LEU B 64 -6.819 -19.977 11.712 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -4.299 -18.762 11.807 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -5.033 -18.000 10.410 1.00 16.73 H new ATOM 0 HG LEU B 64 -7.157 -17.738 11.941 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -6.594 -17.563 14.350 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -6.316 -19.215 13.748 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -4.938 -18.117 14.004 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -6.253 -15.607 12.834 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -4.598 -16.164 12.488 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -5.734 -15.865 11.151 1.00 17.27 H new ATOM 717 N ALA B 65 -6.176 -20.695 8.742 1.00 15.34 N ATOM 718 CA ALA B 65 -6.688 -20.674 7.342 1.00 14.99 C ATOM 719 C ALA B 65 -8.120 -21.216 7.316 1.00 14.10 C ATOM 720 O ALA B 65 -8.472 -22.098 8.075 1.00 13.96 O ATOM 721 CB ALA B 65 -5.794 -21.547 6.459 1.00 15.58 C ATOM 0 H ALA B 65 -5.538 -21.460 8.961 1.00 15.34 H new ATOM 0 HA ALA B 65 -6.680 -19.651 6.966 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -6.168 -21.532 5.435 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -4.775 -21.161 6.479 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -5.802 -22.571 6.833 1.00 15.58 H new ATOM 727 N HIS B 66 -8.953 -20.698 6.451 1.00 13.65 N ATOM 728 CA HIS B 66 -10.359 -21.189 6.385 1.00 12.91 C ATOM 729 C HIS B 66 -10.693 -21.586 4.946 1.00 12.30 C ATOM 730 O HIS B 66 -9.856 -21.528 4.066 1.00 12.38 O ATOM 731 CB HIS B 66 -11.309 -20.081 6.842 1.00 12.96 C ATOM 732 CG HIS B 66 -11.780 -20.366 8.241 1.00 13.34 C ATOM 733 ND1 HIS B 66 -12.784 -19.628 8.848 1.00 13.54 N ATOM 734 CD2 HIS B 66 -11.395 -21.306 9.166 1.00 13.74 C ATOM 735 CE1 HIS B 66 -12.968 -20.131 10.082 1.00 14.03 C ATOM 736 NE2 HIS B 66 -12.147 -21.155 10.327 1.00 14.18 N ATOM 0 H HIS B 66 -8.720 -19.958 5.789 1.00 13.65 H new ATOM 0 HA HIS B 66 -10.472 -22.055 7.037 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -10.802 -19.117 6.807 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -12.162 -20.018 6.166 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -10.626 -22.049 9.015 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -13.692 -19.753 10.789 1.00 14.03 H new ATOM 0 HE2 HIS B 66 -12.084 -21.708 11.182 1.00 14.18 H new ATOM 744 N HIS B 67 -11.909 -21.988 4.696 1.00 11.87 N ATOM 745 CA HIS B 67 -12.293 -22.387 3.312 1.00 11.46 C ATOM 746 C HIS B 67 -13.818 -22.424 3.196 1.00 10.55 C ATOM 747 O HIS B 67 -14.528 -21.975 4.073 1.00 10.53 O ATOM 748 CB HIS B 67 -11.725 -23.774 3.006 1.00 11.84 C ATOM 749 CG HIS B 67 -12.251 -24.761 4.011 1.00 12.35 C ATOM 750 ND1 HIS B 67 -13.270 -25.652 3.708 1.00 12.68 N ATOM 751 CD2 HIS B 67 -11.910 -25.010 5.317 1.00 12.80 C ATOM 752 CE1 HIS B 67 -13.505 -26.387 4.811 1.00 13.29 C ATOM 753 NE2 HIS B 67 -12.704 -26.038 5.820 1.00 13.39 N ATOM 0 H HIS B 67 -12.653 -22.057 5.390 1.00 11.87 H new ATOM 0 HA HIS B 67 -11.892 -21.664 2.601 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -12.005 -24.080 1.998 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -10.636 -23.749 3.040 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -11.143 -24.488 5.870 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -14.251 -27.165 4.872 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -12.679 -26.438 6.758 1.00 13.39 H new ATOM 761 N PHE B 68 -14.328 -22.955 2.118 1.00 10.00 N ATOM 762 CA PHE B 68 -15.806 -23.018 1.947 1.00 9.29 C ATOM 763 C PHE B 68 -16.333 -21.631 1.574 1.00 8.27 C ATOM 764 O PHE B 68 -16.983 -21.453 0.562 1.00 8.29 O ATOM 765 CB PHE B 68 -16.452 -23.474 3.257 1.00 9.52 C ATOM 766 CG PHE B 68 -17.580 -24.432 2.958 1.00 10.43 C ATOM 767 CD1 PHE B 68 -17.408 -25.437 1.998 1.00 11.07 C ATOM 768 CD2 PHE B 68 -18.797 -24.317 3.640 1.00 10.86 C ATOM 769 CE1 PHE B 68 -18.453 -26.326 1.720 1.00 12.06 C ATOM 770 CE2 PHE B 68 -19.841 -25.207 3.364 1.00 11.86 C ATOM 771 CZ PHE B 68 -19.670 -26.212 2.404 1.00 12.43 C ATOM 0 H PHE B 68 -13.785 -23.347 1.349 1.00 10.00 H new ATOM 0 HA PHE B 68 -16.052 -23.726 1.156 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -15.709 -23.957 3.892 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -16.829 -22.612 3.808 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -16.469 -25.526 1.472 1.00 11.07 H new ATOM 0 HD2 PHE B 68 -18.930 -23.541 4.379 1.00 10.86 H new ATOM 0 HE1 PHE B 68 -18.321 -27.100 0.978 1.00 12.06 H new ATOM 0 HE2 PHE B 68 -20.779 -25.119 3.892 1.00 11.86 H new ATOM 0 HZ PHE B 68 -20.476 -26.899 2.191 1.00 12.43 H new ATOM 781 N SER B 69 -16.056 -20.646 2.383 1.00 7.61 N ATOM 782 CA SER B 69 -16.539 -19.270 2.077 1.00 6.80 C ATOM 783 C SER B 69 -15.343 -18.321 1.970 1.00 5.60 C ATOM 784 O SER B 69 -14.505 -18.263 2.848 1.00 5.39 O ATOM 785 CB SER B 69 -17.467 -18.798 3.196 1.00 7.36 C ATOM 786 OG SER B 69 -18.795 -19.219 2.913 1.00 8.12 O ATOM 0 H SER B 69 -15.516 -20.735 3.244 1.00 7.61 H new ATOM 0 HA SER B 69 -17.082 -19.276 1.132 1.00 6.80 H new ATOM 0 HB2 SER B 69 -17.140 -19.206 4.152 1.00 7.36 H new ATOM 0 HB3 SER B 69 -17.428 -17.712 3.283 1.00 7.36 H new ATOM 0 HG SER B 69 -19.393 -18.920 3.629 1.00 8.12 H new ATOM 792 N GLU B 70 -15.258 -17.577 0.902 1.00 5.12 N ATOM 793 CA GLU B 70 -14.117 -16.631 0.738 1.00 4.22 C ATOM 794 C GLU B 70 -13.870 -15.895 2.062 1.00 3.04 C ATOM 795 O GLU B 70 -14.671 -15.076 2.466 1.00 3.18 O ATOM 796 CB GLU B 70 -14.458 -15.612 -0.350 1.00 4.88 C ATOM 797 CG GLU B 70 -14.224 -16.236 -1.727 1.00 5.77 C ATOM 798 CD GLU B 70 -14.715 -15.277 -2.812 1.00 6.71 C ATOM 799 OE1 GLU B 70 -15.917 -15.102 -2.923 1.00 7.29 O ATOM 800 OE2 GLU B 70 -13.879 -14.731 -3.514 1.00 7.09 O ATOM 0 H GLU B 70 -15.930 -17.583 0.135 1.00 5.12 H new ATOM 0 HA GLU B 70 -13.222 -17.185 0.455 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -15.497 -15.296 -0.254 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -13.842 -14.720 -0.234 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -13.164 -16.448 -1.867 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -14.752 -17.187 -1.801 1.00 5.77 H new ATOM 807 N PRO B 71 -12.770 -16.205 2.703 1.00 2.28 N ATOM 808 CA PRO B 71 -12.411 -15.573 3.986 1.00 1.48 C ATOM 809 C PRO B 71 -12.281 -14.056 3.813 1.00 1.33 C ATOM 810 O PRO B 71 -11.328 -13.563 3.242 1.00 1.29 O ATOM 811 CB PRO B 71 -11.061 -16.195 4.369 1.00 2.00 C ATOM 812 CG PRO B 71 -10.683 -17.216 3.265 1.00 2.71 C ATOM 813 CD PRO B 71 -11.799 -17.200 2.210 1.00 2.87 C ATOM 0 HA PRO B 71 -13.166 -15.737 4.755 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -10.295 -15.424 4.455 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -11.128 -16.688 5.339 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -9.726 -16.954 2.813 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -10.572 -18.214 3.689 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -11.412 -16.923 1.229 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -12.258 -18.183 2.105 1.00 2.87 H new ATOM 821 N GLU B 72 -13.231 -13.309 4.304 1.00 1.30 N ATOM 822 CA GLU B 72 -13.155 -11.829 4.168 1.00 1.19 C ATOM 823 C GLU B 72 -11.796 -11.345 4.678 1.00 1.06 C ATOM 824 O GLU B 72 -11.119 -10.571 4.031 1.00 1.01 O ATOM 825 CB GLU B 72 -14.269 -11.180 4.992 1.00 1.29 C ATOM 826 CG GLU B 72 -15.488 -10.937 4.099 1.00 1.90 C ATOM 827 CD GLU B 72 -16.267 -9.726 4.616 1.00 2.25 C ATOM 828 OE1 GLU B 72 -16.509 -9.669 5.810 1.00 2.52 O ATOM 829 OE2 GLU B 72 -16.608 -8.878 3.809 1.00 2.89 O ATOM 0 H GLU B 72 -14.055 -13.660 4.793 1.00 1.30 H new ATOM 0 HA GLU B 72 -13.274 -11.553 3.120 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -14.540 -11.824 5.828 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -13.921 -10.238 5.415 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -15.170 -10.766 3.070 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -16.129 -11.819 4.092 1.00 1.90 H new ATOM 836 N ILE B 73 -11.394 -11.793 5.837 1.00 1.07 N ATOM 837 CA ILE B 73 -10.087 -11.360 6.394 1.00 0.98 C ATOM 838 C ILE B 73 -8.964 -11.666 5.399 1.00 0.89 C ATOM 839 O ILE B 73 -8.126 -10.832 5.126 1.00 0.82 O ATOM 840 CB ILE B 73 -9.830 -12.103 7.705 1.00 1.09 C ATOM 841 CG1 ILE B 73 -8.710 -11.399 8.461 1.00 1.29 C ATOM 842 CG2 ILE B 73 -9.423 -13.548 7.414 1.00 1.27 C ATOM 843 CD1 ILE B 73 -9.317 -10.422 9.468 1.00 2.11 C ATOM 0 H ILE B 73 -11.919 -12.443 6.422 1.00 1.07 H new ATOM 0 HA ILE B 73 -10.111 -10.286 6.578 1.00 0.98 H new ATOM 0 HB ILE B 73 -10.739 -12.106 8.307 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -8.088 -12.131 8.976 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -8.064 -10.866 7.764 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -9.242 -14.071 8.353 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -10.223 -14.049 6.869 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -8.514 -13.556 6.813 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -8.519 -9.916 10.011 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -9.921 -9.684 8.940 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -9.945 -10.968 10.172 1.00 2.11 H new ATOM 855 N THR B 74 -8.932 -12.853 4.855 1.00 0.92 N ATOM 856 CA THR B 74 -7.851 -13.188 3.886 1.00 0.87 C ATOM 857 C THR B 74 -7.843 -12.155 2.759 1.00 0.77 C ATOM 858 O THR B 74 -6.806 -11.642 2.387 1.00 0.69 O ATOM 859 CB THR B 74 -8.080 -14.586 3.305 1.00 0.99 C ATOM 860 OG1 THR B 74 -9.369 -14.654 2.717 1.00 1.57 O ATOM 861 CG2 THR B 74 -7.967 -15.627 4.418 1.00 1.43 C ATOM 0 H THR B 74 -9.602 -13.599 5.038 1.00 0.92 H new ATOM 0 HA THR B 74 -6.890 -13.174 4.401 1.00 0.87 H new ATOM 0 HB THR B 74 -7.327 -14.788 2.543 1.00 0.99 H new ATOM 0 HG1 THR B 74 -9.957 -13.995 3.141 1.00 1.57 H new ATOM 0 HG21 THR B 74 -8.130 -16.622 4.004 1.00 1.43 H new ATOM 0 HG22 THR B 74 -6.973 -15.578 4.863 1.00 1.43 H new ATOM 0 HG23 THR B 74 -8.717 -15.425 5.183 1.00 1.43 H new ATOM 869 N LEU B 75 -8.987 -11.841 2.209 1.00 0.81 N ATOM 870 CA LEU B 75 -9.015 -10.835 1.106 1.00 0.74 C ATOM 871 C LEU B 75 -8.601 -9.466 1.656 1.00 0.62 C ATOM 872 O LEU B 75 -7.783 -8.784 1.069 1.00 0.52 O ATOM 873 CB LEU B 75 -10.422 -10.789 0.454 1.00 0.87 C ATOM 874 CG LEU B 75 -10.867 -9.342 0.174 1.00 1.11 C ATOM 875 CD1 LEU B 75 -12.001 -9.338 -0.852 1.00 1.02 C ATOM 876 CD2 LEU B 75 -11.384 -8.711 1.468 1.00 1.63 C ATOM 0 H LEU B 75 -9.892 -12.232 2.471 1.00 0.81 H new ATOM 0 HA LEU B 75 -8.306 -11.121 0.329 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -10.411 -11.354 -0.478 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.145 -11.272 1.111 1.00 0.87 H new ATOM 0 HG LEU B 75 -10.017 -8.778 -0.210 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -12.312 -8.312 -1.046 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -11.654 -9.794 -1.779 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.846 -9.906 -0.462 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -11.700 -7.686 1.272 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -12.231 -9.287 1.840 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -10.590 -8.710 2.215 1.00 1.63 H new ATOM 888 N ILE B 76 -9.142 -9.047 2.767 1.00 0.66 N ATOM 889 CA ILE B 76 -8.740 -7.718 3.304 1.00 0.59 C ATOM 890 C ILE B 76 -7.226 -7.723 3.507 1.00 0.48 C ATOM 891 O ILE B 76 -6.525 -6.827 3.077 1.00 0.39 O ATOM 892 CB ILE B 76 -9.448 -7.464 4.638 1.00 0.70 C ATOM 893 CG1 ILE B 76 -10.960 -7.605 4.444 1.00 0.89 C ATOM 894 CG2 ILE B 76 -9.130 -6.049 5.122 1.00 0.73 C ATOM 895 CD1 ILE B 76 -11.639 -7.737 5.808 1.00 1.02 C ATOM 0 H ILE B 76 -9.833 -9.557 3.317 1.00 0.66 H new ATOM 0 HA ILE B 76 -9.020 -6.928 2.608 1.00 0.59 H new ATOM 0 HB ILE B 76 -9.104 -8.188 5.377 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -11.352 -6.737 3.913 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.179 -8.479 3.831 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -9.634 -5.867 6.071 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -8.053 -5.944 5.256 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -9.476 -5.326 4.384 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -12.716 -7.837 5.670 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -11.255 -8.618 6.322 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -11.431 -6.849 6.405 1.00 1.02 H new ATOM 907 N ILE B 77 -6.714 -8.751 4.126 1.00 0.51 N ATOM 908 CA ILE B 77 -5.243 -8.846 4.319 1.00 0.45 C ATOM 909 C ILE B 77 -4.569 -8.793 2.947 1.00 0.35 C ATOM 910 O ILE B 77 -3.609 -8.080 2.734 1.00 0.30 O ATOM 911 CB ILE B 77 -4.899 -10.169 5.007 1.00 0.52 C ATOM 912 CG1 ILE B 77 -5.384 -10.133 6.460 1.00 1.19 C ATOM 913 CG2 ILE B 77 -3.385 -10.383 4.984 1.00 1.41 C ATOM 914 CD1 ILE B 77 -4.776 -8.925 7.175 1.00 1.86 C ATOM 0 H ILE B 77 -7.253 -9.529 4.506 1.00 0.51 H new ATOM 0 HA ILE B 77 -4.894 -8.021 4.941 1.00 0.45 H new ATOM 0 HB ILE B 77 -5.389 -10.986 4.478 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -6.472 -10.076 6.489 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -5.099 -11.052 6.972 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -3.143 -11.326 5.475 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -3.037 -10.412 3.951 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -2.894 -9.564 5.510 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -5.122 -8.901 8.208 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -3.689 -9.002 7.158 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -5.083 -8.010 6.669 1.00 1.86 H new ATOM 926 N PHE B 78 -5.071 -9.565 2.017 1.00 0.37 N ATOM 927 CA PHE B 78 -4.474 -9.592 0.650 1.00 0.34 C ATOM 928 C PHE B 78 -4.469 -8.189 0.046 1.00 0.29 C ATOM 929 O PHE B 78 -3.474 -7.746 -0.490 1.00 0.27 O ATOM 930 CB PHE B 78 -5.291 -10.525 -0.249 1.00 0.44 C ATOM 931 CG PHE B 78 -4.868 -11.955 -0.009 1.00 1.05 C ATOM 932 CD1 PHE B 78 -3.528 -12.325 -0.173 1.00 1.80 C ATOM 933 CD2 PHE B 78 -5.816 -12.909 0.378 1.00 1.97 C ATOM 934 CE1 PHE B 78 -3.137 -13.651 0.049 1.00 2.57 C ATOM 935 CE2 PHE B 78 -5.425 -14.234 0.600 1.00 2.71 C ATOM 936 CZ PHE B 78 -4.085 -14.605 0.436 1.00 2.81 C ATOM 0 H PHE B 78 -5.873 -10.181 2.148 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.448 -9.953 0.723 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.354 -10.409 -0.040 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -5.141 -10.261 -1.296 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -2.796 -11.588 -0.470 1.00 1.80 H new ATOM 0 HD2 PHE B 78 -6.849 -12.622 0.505 1.00 1.97 H new ATOM 0 HE1 PHE B 78 -2.104 -13.938 -0.078 1.00 2.57 H new ATOM 0 HE2 PHE B 78 -6.157 -14.970 0.898 1.00 2.71 H new ATOM 0 HZ PHE B 78 -3.783 -15.627 0.608 1.00 2.81 H new ATOM 946 N GLY B 79 -5.564 -7.479 0.116 1.00 0.30 N ATOM 947 CA GLY B 79 -5.578 -6.111 -0.470 1.00 0.28 C ATOM 948 C GLY B 79 -4.468 -5.287 0.177 1.00 0.22 C ATOM 949 O GLY B 79 -3.689 -4.640 -0.495 1.00 0.23 O ATOM 0 H GLY B 79 -6.437 -7.783 0.548 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.431 -6.161 -1.549 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.546 -5.638 -0.302 1.00 0.28 H new ATOM 953 N VAL B 80 -4.374 -5.321 1.479 1.00 0.22 N ATOM 954 CA VAL B 80 -3.297 -4.556 2.161 1.00 0.23 C ATOM 955 C VAL B 80 -1.940 -5.021 1.624 1.00 0.22 C ATOM 956 O VAL B 80 -1.092 -4.227 1.263 1.00 0.23 O ATOM 957 CB VAL B 80 -3.379 -4.804 3.668 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.310 -3.976 4.383 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.767 -4.395 4.171 1.00 0.30 C ATOM 0 H VAL B 80 -4.995 -5.844 2.096 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.414 -3.489 1.970 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.212 -5.861 3.874 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.370 -4.154 5.457 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.323 -4.266 4.022 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.474 -2.918 4.181 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.831 -4.570 5.245 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.932 -3.337 3.965 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.528 -4.986 3.661 1.00 0.30 H new ATOM 969 N MET B 81 -1.742 -6.311 1.553 1.00 0.22 N ATOM 970 CA MET B 81 -0.456 -6.849 1.026 1.00 0.23 C ATOM 971 C MET B 81 -0.232 -6.317 -0.390 1.00 0.24 C ATOM 972 O MET B 81 0.840 -5.856 -0.732 1.00 0.25 O ATOM 973 CB MET B 81 -0.516 -8.377 0.997 1.00 0.26 C ATOM 974 CG MET B 81 -0.358 -8.918 2.419 1.00 0.32 C ATOM 975 SD MET B 81 0.644 -10.424 2.384 1.00 1.15 S ATOM 976 CE MET B 81 2.241 -9.630 2.083 1.00 1.83 C ATOM 0 H MET B 81 -2.420 -7.017 1.839 1.00 0.22 H new ATOM 0 HA MET B 81 0.366 -6.534 1.669 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.465 -8.707 0.574 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.273 -8.771 0.356 1.00 0.26 H new ATOM 0 HG2 MET B 81 0.115 -8.169 3.054 1.00 0.32 H new ATOM 0 HG3 MET B 81 -1.337 -9.130 2.850 1.00 0.32 H new ATOM 0 HE1 MET B 81 2.634 -9.957 1.121 1.00 1.83 H new ATOM 0 HE2 MET B 81 2.113 -8.548 2.074 1.00 1.83 H new ATOM 0 HE3 MET B 81 2.939 -9.906 2.873 1.00 1.83 H new ATOM 986 N ALA B 82 -1.240 -6.382 -1.217 1.00 0.25 N ATOM 987 CA ALA B 82 -1.098 -5.886 -2.612 1.00 0.27 C ATOM 988 C ALA B 82 -0.658 -4.420 -2.583 1.00 0.26 C ATOM 989 O ALA B 82 0.246 -4.027 -3.294 1.00 0.27 O ATOM 990 CB ALA B 82 -2.428 -6.038 -3.368 1.00 0.31 C ATOM 0 H ALA B 82 -2.159 -6.759 -0.984 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.343 -6.475 -3.133 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.311 -5.671 -4.388 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.715 -7.089 -3.391 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.202 -5.461 -2.862 1.00 0.31 H new ATOM 996 N GLY B 83 -1.277 -3.599 -1.771 1.00 0.25 N ATOM 997 CA GLY B 83 -0.863 -2.172 -1.724 1.00 0.26 C ATOM 998 C GLY B 83 0.625 -2.101 -1.386 1.00 0.24 C ATOM 999 O GLY B 83 1.383 -1.402 -2.030 1.00 0.24 O ATOM 0 H GLY B 83 -2.042 -3.856 -1.147 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -1.055 -1.692 -2.683 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.446 -1.635 -0.976 1.00 0.26 H new ATOM 1003 N VAL B 84 1.059 -2.830 -0.392 1.00 0.22 N ATOM 1004 CA VAL B 84 2.508 -2.803 -0.042 1.00 0.21 C ATOM 1005 C VAL B 84 3.327 -3.206 -1.272 1.00 0.21 C ATOM 1006 O VAL B 84 4.292 -2.557 -1.629 1.00 0.21 O ATOM 1007 CB VAL B 84 2.780 -3.791 1.096 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.277 -3.812 1.409 1.00 0.28 C ATOM 1009 CG2 VAL B 84 2.007 -3.361 2.342 1.00 0.31 C ATOM 0 H VAL B 84 0.479 -3.437 0.187 1.00 0.22 H new ATOM 0 HA VAL B 84 2.789 -1.799 0.277 1.00 0.21 H new ATOM 0 HB VAL B 84 2.458 -4.787 0.794 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.470 -4.515 2.219 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.830 -4.120 0.522 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.600 -2.815 1.710 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.201 -4.065 3.151 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.328 -2.364 2.643 1.00 0.31 H new ATOM 0 HG23 VAL B 84 0.940 -3.347 2.121 1.00 0.31 H new ATOM 1019 N ILE B 85 2.943 -4.270 -1.930 1.00 0.23 N ATOM 1020 CA ILE B 85 3.690 -4.712 -3.141 1.00 0.25 C ATOM 1021 C ILE B 85 3.723 -3.577 -4.168 1.00 0.26 C ATOM 1022 O ILE B 85 4.756 -3.263 -4.728 1.00 0.26 O ATOM 1023 CB ILE B 85 2.989 -5.929 -3.752 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.243 -7.158 -2.876 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.534 -6.188 -5.159 1.00 0.40 C ATOM 1026 CD1 ILE B 85 2.096 -8.155 -3.049 1.00 1.06 C ATOM 0 H ILE B 85 2.143 -4.851 -1.679 1.00 0.23 H new ATOM 0 HA ILE B 85 4.710 -4.977 -2.862 1.00 0.25 H new ATOM 0 HB ILE B 85 1.918 -5.735 -3.809 1.00 0.30 H new ATOM 0 HG12 ILE B 85 4.189 -7.625 -3.151 1.00 0.32 H new ATOM 0 HG13 ILE B 85 3.326 -6.861 -1.830 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.032 -7.055 -5.590 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.352 -5.315 -5.786 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.606 -6.379 -5.105 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.277 -9.030 -2.425 1.00 1.06 H new ATOM 0 HD12 ILE B 85 1.158 -7.686 -2.752 1.00 1.06 H new ATOM 0 HD13 ILE B 85 2.034 -8.461 -4.093 1.00 1.06 H new ATOM 1038 N GLY B 86 2.600 -2.959 -4.424 1.00 0.27 N ATOM 1039 CA GLY B 86 2.571 -1.849 -5.415 1.00 0.30 C ATOM 1040 C GLY B 86 3.563 -0.766 -4.999 1.00 0.27 C ATOM 1041 O GLY B 86 4.338 -0.280 -5.799 1.00 0.29 O ATOM 0 H GLY B 86 1.703 -3.176 -3.989 1.00 0.27 H new ATOM 0 HA2 GLY B 86 2.823 -2.226 -6.406 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.566 -1.431 -5.479 1.00 0.30 H new ATOM 1045 N THR B 87 3.547 -0.378 -3.753 1.00 0.24 N ATOM 1046 CA THR B 87 4.492 0.675 -3.297 1.00 0.24 C ATOM 1047 C THR B 87 5.926 0.233 -3.590 1.00 0.24 C ATOM 1048 O THR B 87 6.718 0.983 -4.127 1.00 0.28 O ATOM 1049 CB THR B 87 4.325 0.898 -1.791 1.00 0.25 C ATOM 1050 OG1 THR B 87 2.968 1.209 -1.508 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.222 2.055 -1.344 1.00 0.28 C ATOM 0 H THR B 87 2.922 -0.744 -3.035 1.00 0.24 H new ATOM 0 HA THR B 87 4.281 1.604 -3.826 1.00 0.24 H new ATOM 0 HB THR B 87 4.609 -0.007 -1.254 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.435 0.387 -1.518 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.104 2.214 -0.272 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.262 1.814 -1.562 1.00 0.28 H new ATOM 0 HG23 THR B 87 4.940 2.962 -1.879 1.00 0.28 H new ATOM 1059 N ILE B 88 6.270 -0.982 -3.251 1.00 0.23 N ATOM 1060 CA ILE B 88 7.654 -1.457 -3.525 1.00 0.29 C ATOM 1061 C ILE B 88 7.939 -1.331 -5.022 1.00 0.33 C ATOM 1062 O ILE B 88 8.960 -0.812 -5.431 1.00 0.40 O ATOM 1063 CB ILE B 88 7.783 -2.921 -3.102 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.736 -3.015 -1.574 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.112 -3.486 -3.605 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.823 -4.482 -1.151 1.00 0.41 C ATOM 0 H ILE B 88 5.656 -1.660 -2.800 1.00 0.23 H new ATOM 0 HA ILE B 88 8.368 -0.855 -2.963 1.00 0.29 H new ATOM 0 HB ILE B 88 6.961 -3.495 -3.530 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.560 -2.450 -1.139 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.813 -2.572 -1.200 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.202 -4.529 -3.302 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.147 -3.419 -4.692 1.00 0.40 H new ATOM 0 HG23 ILE B 88 9.936 -2.913 -3.179 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.790 -4.550 -0.064 1.00 0.41 H new ATOM 0 HD12 ILE B 88 6.984 -5.033 -1.575 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.758 -4.910 -1.513 1.00 0.41 H new ATOM 1078 N LEU B 89 7.032 -1.789 -5.844 1.00 0.33 N ATOM 1079 CA LEU B 89 7.233 -1.682 -7.313 1.00 0.41 C ATOM 1080 C LEU B 89 7.434 -0.203 -7.673 1.00 0.44 C ATOM 1081 O LEU B 89 8.336 0.154 -8.403 1.00 0.51 O ATOM 1082 CB LEU B 89 6.007 -2.287 -8.033 1.00 0.44 C ATOM 1083 CG LEU B 89 5.447 -1.328 -9.090 1.00 0.76 C ATOM 1084 CD1 LEU B 89 6.463 -1.162 -10.222 1.00 1.14 C ATOM 1085 CD2 LEU B 89 4.144 -1.896 -9.655 1.00 1.06 C ATOM 0 H LEU B 89 6.160 -2.233 -5.558 1.00 0.33 H new ATOM 0 HA LEU B 89 8.116 -2.235 -7.632 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.289 -3.227 -8.506 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.232 -2.518 -7.302 1.00 0.44 H new ATOM 0 HG LEU B 89 5.253 -0.358 -8.632 1.00 0.76 H new ATOM 0 HD11 LEU B 89 6.063 -0.480 -10.973 1.00 1.14 H new ATOM 0 HD12 LEU B 89 7.392 -0.756 -9.821 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.659 -2.131 -10.680 1.00 1.14 H new ATOM 0 HD21 LEU B 89 3.746 -1.214 -10.407 1.00 1.06 H new ATOM 0 HD22 LEU B 89 4.338 -2.866 -10.112 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.419 -2.012 -8.850 1.00 1.06 H new ATOM 1097 N LEU B 90 6.594 0.653 -7.157 1.00 0.40 N ATOM 1098 CA LEU B 90 6.727 2.109 -7.457 1.00 0.47 C ATOM 1099 C LEU B 90 8.121 2.587 -7.050 1.00 0.51 C ATOM 1100 O LEU B 90 8.790 3.276 -7.793 1.00 0.60 O ATOM 1101 CB LEU B 90 5.666 2.894 -6.677 1.00 0.47 C ATOM 1102 CG LEU B 90 5.696 4.368 -7.096 1.00 1.14 C ATOM 1103 CD1 LEU B 90 6.918 5.054 -6.482 1.00 2.02 C ATOM 1104 CD2 LEU B 90 5.771 4.467 -8.622 1.00 1.67 C ATOM 0 H LEU B 90 5.820 0.407 -6.540 1.00 0.40 H new ATOM 0 HA LEU B 90 6.584 2.274 -8.525 1.00 0.47 H new ATOM 0 HB2 LEU B 90 4.678 2.473 -6.865 1.00 0.47 H new ATOM 0 HB3 LEU B 90 5.851 2.807 -5.606 1.00 0.47 H new ATOM 0 HG LEU B 90 4.789 4.859 -6.743 1.00 1.14 H new ATOM 0 HD11 LEU B 90 6.936 6.102 -6.782 1.00 2.02 H new ATOM 0 HD12 LEU B 90 6.864 4.989 -5.395 1.00 2.02 H new ATOM 0 HD13 LEU B 90 7.825 4.561 -6.831 1.00 2.02 H new ATOM 0 HD21 LEU B 90 5.792 5.516 -8.918 1.00 1.67 H new ATOM 0 HD22 LEU B 90 6.676 3.972 -8.975 1.00 1.67 H new ATOM 0 HD23 LEU B 90 4.898 3.984 -9.061 1.00 1.67 H new ATOM 1116 N ILE B 91 8.562 2.233 -5.875 1.00 0.47 N ATOM 1117 CA ILE B 91 9.913 2.679 -5.428 1.00 0.57 C ATOM 1118 C ILE B 91 10.959 2.217 -6.437 1.00 0.65 C ATOM 1119 O ILE B 91 11.803 2.982 -6.857 1.00 0.77 O ATOM 1120 CB ILE B 91 10.224 2.076 -4.057 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.150 2.507 -3.056 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.591 2.571 -3.580 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.254 1.646 -1.795 1.00 0.54 C ATOM 0 H ILE B 91 8.049 1.657 -5.207 1.00 0.47 H new ATOM 0 HA ILE B 91 9.931 3.767 -5.357 1.00 0.57 H new ATOM 0 HB ILE B 91 10.237 0.989 -4.133 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.276 3.560 -2.802 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.160 2.402 -3.500 1.00 0.51 H new ATOM 0 HG21 ILE B 91 11.813 2.142 -2.603 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.357 2.266 -4.293 1.00 0.66 H new ATOM 0 HG23 ILE B 91 11.578 3.658 -3.504 1.00 0.66 H new ATOM 0 HD11 ILE B 91 8.489 1.952 -1.081 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.107 0.598 -2.057 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.240 1.774 -1.348 1.00 0.54 H new ATOM 1135 N SER B 92 10.914 0.978 -6.845 1.00 0.63 N ATOM 1136 CA SER B 92 11.917 0.511 -7.837 1.00 0.76 C ATOM 1137 C SER B 92 11.818 1.398 -9.077 1.00 0.83 C ATOM 1138 O SER B 92 12.809 1.887 -9.582 1.00 0.95 O ATOM 1139 CB SER B 92 11.629 -0.942 -8.217 1.00 0.74 C ATOM 1140 OG SER B 92 12.741 -1.750 -7.852 1.00 1.53 O ATOM 0 H SER B 92 10.236 0.280 -6.539 1.00 0.63 H new ATOM 0 HA SER B 92 12.919 0.571 -7.413 1.00 0.76 H new ATOM 0 HB2 SER B 92 10.729 -1.291 -7.711 1.00 0.74 H new ATOM 0 HB3 SER B 92 11.443 -1.020 -9.288 1.00 0.74 H new ATOM 0 HG SER B 92 12.560 -2.683 -8.092 1.00 1.53 H new ATOM 1146 N TYR B 93 10.626 1.625 -9.561 1.00 0.77 N ATOM 1147 CA TYR B 93 10.469 2.501 -10.756 1.00 0.87 C ATOM 1148 C TYR B 93 11.072 3.877 -10.459 1.00 0.94 C ATOM 1149 O TYR B 93 11.834 4.415 -11.238 1.00 1.07 O ATOM 1150 CB TYR B 93 8.983 2.656 -11.083 1.00 0.83 C ATOM 1151 CG TYR B 93 8.710 2.131 -12.472 1.00 1.09 C ATOM 1152 CD1 TYR B 93 9.271 2.770 -13.584 1.00 1.68 C ATOM 1153 CD2 TYR B 93 7.896 1.005 -12.649 1.00 1.74 C ATOM 1154 CE1 TYR B 93 9.018 2.283 -14.872 1.00 2.03 C ATOM 1155 CE2 TYR B 93 7.643 0.520 -13.937 1.00 1.99 C ATOM 1156 CZ TYR B 93 8.204 1.158 -15.048 1.00 1.84 C ATOM 1157 OH TYR B 93 7.955 0.680 -16.318 1.00 2.25 O ATOM 0 H TYR B 93 9.759 1.244 -9.182 1.00 0.77 H new ATOM 0 HA TYR B 93 10.983 2.053 -11.607 1.00 0.87 H new ATOM 0 HB2 TYR B 93 8.382 2.113 -10.354 1.00 0.83 H new ATOM 0 HB3 TYR B 93 8.694 3.705 -11.017 1.00 0.83 H new ATOM 0 HD1 TYR B 93 9.899 3.638 -13.448 1.00 1.68 H new ATOM 0 HD2 TYR B 93 7.464 0.511 -11.791 1.00 1.74 H new ATOM 0 HE1 TYR B 93 9.451 2.776 -15.730 1.00 2.03 H new ATOM 0 HE2 TYR B 93 7.014 -0.347 -14.073 1.00 1.99 H new ATOM 0 HH TYR B 93 7.373 -0.106 -16.263 1.00 2.25 H new ATOM 1167 N GLY B 94 10.742 4.448 -9.327 1.00 0.88 N ATOM 1168 CA GLY B 94 11.300 5.783 -8.972 1.00 0.98 C ATOM 1169 C GLY B 94 12.824 5.711 -8.967 1.00 1.10 C ATOM 1170 O GLY B 94 13.499 6.554 -9.525 1.00 1.24 O ATOM 0 H GLY B 94 10.110 4.045 -8.635 1.00 0.88 H new ATOM 0 HA2 GLY B 94 10.963 6.532 -9.688 1.00 0.98 H new ATOM 0 HA3 GLY B 94 10.936 6.092 -7.992 1.00 0.98 H new ATOM 1174 N ILE B 95 13.371 4.707 -8.339 1.00 1.07 N ATOM 1175 CA ILE B 95 14.856 4.576 -8.296 1.00 1.22 C ATOM 1176 C ILE B 95 15.400 4.535 -9.727 1.00 1.34 C ATOM 1177 O ILE B 95 16.349 5.216 -10.059 1.00 1.50 O ATOM 1178 CB ILE B 95 15.242 3.290 -7.544 1.00 1.20 C ATOM 1179 CG1 ILE B 95 15.221 3.557 -6.037 1.00 1.37 C ATOM 1180 CG2 ILE B 95 16.650 2.843 -7.951 1.00 1.50 C ATOM 1181 CD1 ILE B 95 14.301 2.547 -5.350 1.00 1.81 C ATOM 0 H ILE B 95 12.856 3.972 -7.854 1.00 1.07 H new ATOM 0 HA ILE B 95 15.286 5.430 -7.773 1.00 1.22 H new ATOM 0 HB ILE B 95 14.528 2.506 -7.795 1.00 1.20 H new ATOM 0 HG12 ILE B 95 16.229 3.481 -5.630 1.00 1.37 H new ATOM 0 HG13 ILE B 95 14.874 4.572 -5.842 1.00 1.37 H new ATOM 0 HG21 ILE B 95 16.912 1.932 -7.413 1.00 1.50 H new ATOM 0 HG22 ILE B 95 16.675 2.650 -9.024 1.00 1.50 H new ATOM 0 HG23 ILE B 95 17.366 3.628 -7.707 1.00 1.50 H new ATOM 0 HD11 ILE B 95 14.287 2.739 -4.277 1.00 1.81 H new ATOM 0 HD12 ILE B 95 13.291 2.644 -5.749 1.00 1.81 H new ATOM 0 HD13 ILE B 95 14.668 1.537 -5.534 1.00 1.81 H new ATOM 1193 N ARG B 96 14.809 3.741 -10.578 1.00 1.29 N ATOM 1194 CA ARG B 96 15.302 3.661 -11.981 1.00 1.42 C ATOM 1195 C ARG B 96 15.278 5.055 -12.611 1.00 1.52 C ATOM 1196 O ARG B 96 16.233 5.485 -13.226 1.00 1.68 O ATOM 1197 CB ARG B 96 14.398 2.723 -12.786 1.00 1.36 C ATOM 1198 CG ARG B 96 14.274 1.384 -12.058 1.00 1.61 C ATOM 1199 CD ARG B 96 14.440 0.239 -13.059 1.00 1.77 C ATOM 1200 NE ARG B 96 13.113 -0.382 -13.328 1.00 1.70 N ATOM 1201 CZ ARG B 96 12.957 -1.171 -14.356 1.00 2.10 C ATOM 1202 NH1 ARG B 96 13.186 -2.451 -14.238 1.00 2.69 N ATOM 1203 NH2 ARG B 96 12.573 -0.680 -15.502 1.00 2.54 N ATOM 0 H ARG B 96 14.009 3.146 -10.363 1.00 1.29 H new ATOM 0 HA ARG B 96 16.322 3.277 -11.986 1.00 1.42 H new ATOM 0 HB2 ARG B 96 13.413 3.172 -12.914 1.00 1.36 H new ATOM 0 HB3 ARG B 96 14.811 2.570 -13.783 1.00 1.36 H new ATOM 0 HG2 ARG B 96 15.032 1.311 -11.278 1.00 1.61 H new ATOM 0 HG3 ARG B 96 13.303 1.314 -11.567 1.00 1.61 H new ATOM 0 HD2 ARG B 96 14.873 0.613 -13.987 1.00 1.77 H new ATOM 0 HD3 ARG B 96 15.129 -0.507 -12.663 1.00 1.77 H new ATOM 0 HE ARG B 96 12.326 -0.191 -12.708 1.00 1.70 H new ATOM 0 HH11 ARG B 96 13.487 -2.835 -13.342 1.00 2.69 H new ATOM 0 HH12 ARG B 96 13.064 -3.067 -15.042 1.00 2.69 H new ATOM 0 HH21 ARG B 96 12.395 0.320 -15.594 1.00 2.54 H new ATOM 0 HH22 ARG B 96 12.451 -1.296 -16.306 1.00 2.54 H new ATOM 1217 N ARG B 97 14.195 5.767 -12.460 1.00 1.43 N ATOM 1218 CA ARG B 97 14.115 7.133 -13.050 1.00 1.55 C ATOM 1219 C ARG B 97 15.256 7.998 -12.510 1.00 1.67 C ATOM 1220 O ARG B 97 15.937 8.679 -13.251 1.00 1.83 O ATOM 1221 CB ARG B 97 12.771 7.775 -12.693 1.00 1.45 C ATOM 1222 CG ARG B 97 12.495 8.942 -13.643 1.00 1.62 C ATOM 1223 CD ARG B 97 11.329 9.776 -13.108 1.00 1.72 C ATOM 1224 NE ARG B 97 10.495 10.254 -14.247 1.00 2.17 N ATOM 1225 CZ ARG B 97 9.297 10.722 -14.029 1.00 2.50 C ATOM 1226 NH1 ARG B 97 9.145 11.885 -13.455 1.00 2.89 N ATOM 1227 NH2 ARG B 97 8.251 10.029 -14.385 1.00 3.17 N ATOM 0 H ARG B 97 13.363 5.462 -11.954 1.00 1.43 H new ATOM 0 HA ARG B 97 14.201 7.058 -14.134 1.00 1.55 H new ATOM 0 HB2 ARG B 97 11.972 7.037 -12.765 1.00 1.45 H new ATOM 0 HB3 ARG B 97 12.787 8.128 -11.662 1.00 1.45 H new ATOM 0 HG2 ARG B 97 13.385 9.563 -13.740 1.00 1.62 H new ATOM 0 HG3 ARG B 97 12.259 8.566 -14.638 1.00 1.62 H new ATOM 0 HD2 ARG B 97 10.724 9.179 -12.426 1.00 1.72 H new ATOM 0 HD3 ARG B 97 11.707 10.625 -12.539 1.00 1.72 H new ATOM 0 HE ARG B 97 10.861 10.215 -15.198 1.00 2.17 H new ATOM 0 HH11 ARG B 97 9.963 12.427 -13.177 1.00 2.89 H new ATOM 0 HH12 ARG B 97 8.208 12.251 -13.285 1.00 2.89 H new ATOM 0 HH21 ARG B 97 8.370 9.121 -14.834 1.00 3.17 H new ATOM 0 HH22 ARG B 97 7.314 10.395 -14.214 1.00 3.17 H new ATOM 1241 N LEU B 98 15.467 7.977 -11.223 1.00 1.62 N ATOM 1242 CA LEU B 98 16.561 8.798 -10.631 1.00 1.76 C ATOM 1243 C LEU B 98 17.889 8.420 -11.288 1.00 1.92 C ATOM 1244 O LEU B 98 18.661 9.268 -11.688 1.00 2.09 O ATOM 1245 CB LEU B 98 16.644 8.527 -9.128 1.00 1.69 C ATOM 1246 CG LEU B 98 15.875 9.607 -8.367 1.00 1.72 C ATOM 1247 CD1 LEU B 98 14.916 8.948 -7.373 1.00 1.72 C ATOM 1248 CD2 LEU B 98 16.865 10.492 -7.607 1.00 2.01 C ATOM 0 H LEU B 98 14.928 7.426 -10.555 1.00 1.62 H new ATOM 0 HA LEU B 98 16.356 9.855 -10.800 1.00 1.76 H new ATOM 0 HB2 LEU B 98 16.230 7.544 -8.902 1.00 1.69 H new ATOM 0 HB3 LEU B 98 17.686 8.515 -8.808 1.00 1.69 H new ATOM 0 HG LEU B 98 15.306 10.214 -9.071 1.00 1.72 H new ATOM 0 HD11 LEU B 98 14.368 9.719 -6.831 1.00 1.72 H new ATOM 0 HD12 LEU B 98 14.212 8.314 -7.912 1.00 1.72 H new ATOM 0 HD13 LEU B 98 15.484 8.342 -6.667 1.00 1.72 H new ATOM 0 HD21 LEU B 98 16.320 11.264 -7.063 1.00 2.01 H new ATOM 0 HD22 LEU B 98 17.431 9.883 -6.903 1.00 2.01 H new ATOM 0 HD23 LEU B 98 17.550 10.961 -8.313 1.00 2.01 H new ATOM 1260 N ILE B 99 18.154 7.150 -11.402 1.00 1.89 N ATOM 1261 CA ILE B 99 19.427 6.703 -12.031 1.00 2.07 C ATOM 1262 C ILE B 99 19.336 6.882 -13.547 1.00 2.17 C ATOM 1263 O ILE B 99 20.308 7.195 -14.205 1.00 2.50 O ATOM 1264 CB ILE B 99 19.645 5.226 -11.715 1.00 2.14 C ATOM 1265 CG1 ILE B 99 18.450 4.427 -12.241 1.00 2.13 C ATOM 1266 CG2 ILE B 99 19.761 5.035 -10.201 1.00 2.25 C ATOM 1267 CD1 ILE B 99 18.700 2.933 -12.026 1.00 2.38 C ATOM 0 H ILE B 99 17.541 6.399 -11.085 1.00 1.89 H new ATOM 0 HA ILE B 99 20.256 7.294 -11.642 1.00 2.07 H new ATOM 0 HB ILE B 99 20.563 4.878 -12.190 1.00 2.14 H new ATOM 0 HG12 ILE B 99 17.540 4.732 -11.725 1.00 2.13 H new ATOM 0 HG13 ILE B 99 18.300 4.633 -13.301 1.00 2.13 H new ATOM 0 HG21 ILE B 99 19.917 3.979 -9.978 1.00 2.25 H new ATOM 0 HG22 ILE B 99 20.605 5.613 -9.825 1.00 2.25 H new ATOM 0 HG23 ILE B 99 18.844 5.376 -9.720 1.00 2.25 H new ATOM 0 HD11 ILE B 99 17.849 2.364 -12.401 1.00 2.38 H new ATOM 0 HD12 ILE B 99 19.601 2.634 -12.562 1.00 2.38 H new ATOM 0 HD13 ILE B 99 18.829 2.735 -10.962 1.00 2.38 H new ATOM 1279 N LYS B 100 18.175 6.678 -14.105 1.00 2.25 N ATOM 1280 CA LYS B 100 18.022 6.828 -15.581 1.00 2.60 C ATOM 1281 C LYS B 100 17.597 8.261 -15.909 1.00 2.97 C ATOM 1282 O LYS B 100 16.524 8.699 -15.544 1.00 3.27 O ATOM 1283 CB LYS B 100 16.960 5.848 -16.091 1.00 2.80 C ATOM 1284 CG LYS B 100 17.597 4.478 -16.329 1.00 3.38 C ATOM 1285 CD LYS B 100 18.792 4.626 -17.273 1.00 3.94 C ATOM 1286 CE LYS B 100 18.658 3.627 -18.424 1.00 4.56 C ATOM 1287 NZ LYS B 100 17.551 4.054 -19.325 1.00 5.22 N ATOM 0 H LYS B 100 17.326 6.414 -13.604 1.00 2.25 H new ATOM 0 HA LYS B 100 18.974 6.613 -16.066 1.00 2.60 H new ATOM 0 HB2 LYS B 100 16.151 5.763 -15.365 1.00 2.80 H new ATOM 0 HB3 LYS B 100 16.521 6.221 -17.016 1.00 2.80 H new ATOM 0 HG2 LYS B 100 17.920 4.046 -15.382 1.00 3.38 H new ATOM 0 HG3 LYS B 100 16.864 3.794 -16.758 1.00 3.38 H new ATOM 0 HD2 LYS B 100 18.837 5.643 -17.663 1.00 3.94 H new ATOM 0 HD3 LYS B 100 19.721 4.451 -16.731 1.00 3.94 H new ATOM 0 HE2 LYS B 100 19.593 3.570 -18.981 1.00 4.56 H new ATOM 0 HE3 LYS B 100 18.459 2.629 -18.033 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 17.657 3.589 -20.249 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 16.638 3.786 -18.905 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 17.584 5.086 -19.451 1.00 5.22 H new ATOM 1301 N LYS B 101 18.431 8.992 -16.598 1.00 3.27 N ATOM 1302 CA LYS B 101 18.078 10.395 -16.954 1.00 3.83 C ATOM 1303 C LYS B 101 18.942 10.854 -18.130 1.00 4.00 C ATOM 1304 O LYS B 101 19.786 11.709 -17.922 1.00 4.36 O ATOM 1305 CB LYS B 101 18.328 11.312 -15.752 1.00 4.43 C ATOM 1306 CG LYS B 101 17.376 10.937 -14.615 1.00 5.03 C ATOM 1307 CD LYS B 101 17.288 12.096 -13.620 1.00 5.77 C ATOM 1308 CE LYS B 101 18.684 12.410 -13.079 1.00 6.68 C ATOM 1309 NZ LYS B 101 19.205 13.642 -13.737 1.00 7.38 N ATOM 1310 OXT LYS B 101 18.743 10.342 -19.219 1.00 4.28 O ATOM 0 H LYS B 101 19.343 8.677 -16.930 1.00 3.27 H new ATOM 0 HA LYS B 101 17.025 10.442 -17.232 1.00 3.83 H new ATOM 0 HB2 LYS B 101 19.362 11.219 -15.420 1.00 4.43 H new ATOM 0 HB3 LYS B 101 18.177 12.353 -16.038 1.00 4.43 H new ATOM 0 HG2 LYS B 101 16.387 10.710 -15.014 1.00 5.03 H new ATOM 0 HG3 LYS B 101 17.730 10.038 -14.111 1.00 5.03 H new ATOM 0 HD2 LYS B 101 16.868 12.976 -14.107 1.00 5.77 H new ATOM 0 HD3 LYS B 101 16.619 11.836 -12.800 1.00 5.77 H new ATOM 0 HE2 LYS B 101 18.644 12.551 -11.999 1.00 6.68 H new ATOM 0 HE3 LYS B 101 19.356 11.572 -13.267 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 19.933 14.076 -13.134 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 19.620 13.395 -14.658 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 18.426 14.316 -13.879 1.00 7.38 H new TER 1324 LYS B 101