USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=13 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= -0.495 X(o=-0.5,f=-0.92) USER MOD Single : A 66 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.11) USER MOD Single : A 67 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -150:sc= -2.56! USER MOD Single : A 81 MET CE :methyl 156:sc= -1.08 (180deg=-2.5!) USER MOD Single : A 87 THR OG1 : rot 73:sc= -0.176 USER MOD Single : A 92 SER OG : rot 180:sc= -0.238 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 161:sc= -0.23 (180deg=-1.21) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : B 66 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=-0.44) USER MOD Single : B 67 HIS : no HD1:sc= -0.398 K(o=-0.4,f=-1.2) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot -170:sc= -0.756 USER MOD Single : B 81 MET CE :methyl 167:sc= 0 (180deg=-0.189) USER MOD Single : B 87 THR OG1 : rot 78:sc= 0.305 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 62 -29.484 13.447 -1.301 1.00 18.74 N ATOM 2 CA VAL A 62 -28.665 13.351 -0.059 1.00 18.11 C ATOM 3 C VAL A 62 -28.713 11.917 0.475 1.00 17.30 C ATOM 4 O VAL A 62 -29.555 11.130 0.090 1.00 17.26 O ATOM 5 CB VAL A 62 -29.225 14.308 0.997 1.00 18.42 C ATOM 6 CG1 VAL A 62 -29.476 15.676 0.362 1.00 18.58 C ATOM 7 CG2 VAL A 62 -30.544 13.753 1.542 1.00 18.59 C ATOM 0 HA VAL A 62 -27.633 13.621 -0.283 1.00 18.11 H new ATOM 0 HB VAL A 62 -28.508 14.409 1.811 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -29.875 16.358 1.113 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -28.539 16.073 -0.028 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -30.193 15.573 -0.452 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -30.942 14.434 2.294 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -31.261 13.652 0.727 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -30.369 12.777 1.994 1.00 18.59 H new ATOM 19 N GLN A 63 -27.817 11.573 1.360 1.00 16.78 N ATOM 20 CA GLN A 63 -27.814 10.191 1.918 1.00 16.11 C ATOM 21 C GLN A 63 -27.685 9.182 0.773 1.00 15.69 C ATOM 22 O GLN A 63 -27.964 9.488 -0.369 1.00 15.68 O ATOM 23 CB GLN A 63 -29.123 9.945 2.674 1.00 16.10 C ATOM 24 CG GLN A 63 -28.984 8.713 3.571 1.00 15.49 C ATOM 25 CD GLN A 63 -27.796 8.902 4.516 1.00 15.09 C ATOM 26 OE1 GLN A 63 -27.596 9.976 5.050 1.00 15.39 O ATOM 27 NE2 GLN A 63 -26.995 7.901 4.746 1.00 14.56 N ATOM 0 H GLN A 63 -27.088 12.189 1.720 1.00 16.78 H new ATOM 0 HA GLN A 63 -26.973 10.074 2.602 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -29.374 10.818 3.277 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -29.940 9.800 1.967 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -29.898 8.563 4.145 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -28.840 7.821 2.962 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -27.163 7.000 4.298 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -26.200 8.018 5.374 1.00 14.56 H new ATOM 36 N LEU A 64 -27.263 7.982 1.067 1.00 15.49 N ATOM 37 CA LEU A 64 -27.120 6.960 -0.011 1.00 15.26 C ATOM 38 C LEU A 64 -27.535 5.589 0.524 1.00 14.77 C ATOM 39 O LEU A 64 -27.962 5.455 1.653 1.00 14.94 O ATOM 40 CB LEU A 64 -25.663 6.892 -0.489 1.00 15.58 C ATOM 41 CG LEU A 64 -24.732 7.523 0.551 1.00 15.97 C ATOM 42 CD1 LEU A 64 -24.730 6.671 1.821 1.00 16.71 C ATOM 43 CD2 LEU A 64 -23.311 7.594 -0.014 1.00 16.05 C ATOM 0 H LEU A 64 -27.012 7.665 2.003 1.00 15.49 H new ATOM 0 HA LEU A 64 -27.760 7.242 -0.847 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -25.377 5.854 -0.660 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -25.561 7.412 -1.441 1.00 15.58 H new ATOM 0 HG LEU A 64 -25.082 8.528 0.788 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -24.067 7.121 2.560 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -25.741 6.618 2.225 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -24.380 5.666 1.584 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -22.648 8.043 0.725 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -22.963 6.589 -0.251 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -23.309 8.201 -0.919 1.00 16.05 H new ATOM 55 N ALA A 65 -27.412 4.569 -0.281 1.00 14.32 N ATOM 56 CA ALA A 65 -27.797 3.207 0.179 1.00 14.03 C ATOM 57 C ALA A 65 -26.555 2.314 0.230 1.00 13.34 C ATOM 58 O ALA A 65 -26.522 1.249 -0.354 1.00 13.29 O ATOM 59 CB ALA A 65 -28.817 2.607 -0.790 1.00 14.31 C ATOM 0 H ALA A 65 -27.061 4.621 -1.237 1.00 14.32 H new ATOM 0 HA ALA A 65 -28.238 3.273 1.174 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -29.098 1.610 -0.451 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -29.703 3.241 -0.824 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -28.378 2.542 -1.786 1.00 14.31 H new ATOM 65 N HIS A 66 -25.536 2.738 0.925 1.00 12.98 N ATOM 66 CA HIS A 66 -24.300 1.910 1.015 1.00 12.48 C ATOM 67 C HIS A 66 -24.277 1.174 2.357 1.00 11.62 C ATOM 68 O HIS A 66 -23.409 0.365 2.617 1.00 11.76 O ATOM 69 CB HIS A 66 -23.070 2.815 0.907 1.00 12.81 C ATOM 70 CG HIS A 66 -22.449 2.656 -0.454 1.00 13.36 C ATOM 71 ND1 HIS A 66 -22.083 3.742 -1.231 1.00 13.57 N ATOM 72 CD2 HIS A 66 -22.126 1.542 -1.189 1.00 13.93 C ATOM 73 CE1 HIS A 66 -21.566 3.264 -2.378 1.00 14.23 C ATOM 74 NE2 HIS A 66 -21.568 1.929 -2.404 1.00 14.47 N ATOM 0 H HIS A 66 -25.505 3.621 1.434 1.00 12.98 H new ATOM 0 HA HIS A 66 -24.288 1.184 0.202 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -23.355 3.855 1.070 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -22.347 2.558 1.681 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -22.281 0.521 -0.873 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -21.195 3.885 -3.180 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -21.233 1.323 -3.153 1.00 14.47 H new ATOM 82 N HIS A 67 -25.226 1.448 3.212 1.00 10.90 N ATOM 83 CA HIS A 67 -25.259 0.764 4.535 1.00 10.21 C ATOM 84 C HIS A 67 -25.583 -0.718 4.337 1.00 9.43 C ATOM 85 O HIS A 67 -26.641 -1.186 4.707 1.00 9.32 O ATOM 86 CB HIS A 67 -26.334 1.406 5.415 1.00 10.37 C ATOM 87 CG HIS A 67 -26.458 0.633 6.699 1.00 10.53 C ATOM 88 ND1 HIS A 67 -27.518 -0.226 6.946 1.00 10.58 N ATOM 89 CD2 HIS A 67 -25.662 0.578 7.815 1.00 10.88 C ATOM 90 CE1 HIS A 67 -27.332 -0.757 8.169 1.00 10.97 C ATOM 91 NE2 HIS A 67 -26.216 -0.301 8.742 1.00 11.15 N ATOM 0 H HIS A 67 -25.979 2.116 3.050 1.00 10.90 H new ATOM 0 HA HIS A 67 -24.287 0.862 5.017 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -26.075 2.443 5.626 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -27.290 1.417 4.891 1.00 10.37 H new ATOM 0 HD2 HIS A 67 -24.745 1.132 7.953 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -28.004 -1.466 8.630 1.00 10.97 H new ATOM 0 HE2 HIS A 67 -25.848 -0.544 9.662 1.00 11.15 H new ATOM 99 N PHE A 68 -24.680 -1.461 3.757 1.00 9.11 N ATOM 100 CA PHE A 68 -24.941 -2.912 3.539 1.00 8.55 C ATOM 101 C PHE A 68 -24.509 -3.696 4.779 1.00 7.46 C ATOM 102 O PHE A 68 -23.960 -3.148 5.714 1.00 7.39 O ATOM 103 CB PHE A 68 -24.146 -3.400 2.325 1.00 8.98 C ATOM 104 CG PHE A 68 -25.084 -4.051 1.337 1.00 9.76 C ATOM 105 CD1 PHE A 68 -26.050 -3.282 0.674 1.00 10.19 C ATOM 106 CD2 PHE A 68 -24.989 -5.424 1.081 1.00 10.29 C ATOM 107 CE1 PHE A 68 -26.917 -3.886 -0.243 1.00 11.10 C ATOM 108 CE2 PHE A 68 -25.857 -6.028 0.163 1.00 11.19 C ATOM 109 CZ PHE A 68 -26.821 -5.260 -0.499 1.00 11.57 C ATOM 0 H PHE A 68 -23.775 -1.127 3.425 1.00 9.11 H new ATOM 0 HA PHE A 68 -26.005 -3.067 3.360 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -23.629 -2.563 1.855 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -23.382 -4.111 2.639 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -26.125 -2.223 0.871 1.00 10.19 H new ATOM 0 HD2 PHE A 68 -24.246 -6.018 1.592 1.00 10.29 H new ATOM 0 HE1 PHE A 68 -27.661 -3.293 -0.754 1.00 11.10 H new ATOM 0 HE2 PHE A 68 -25.782 -7.087 -0.034 1.00 11.19 H new ATOM 0 HZ PHE A 68 -27.491 -5.726 -1.207 1.00 11.57 H new ATOM 119 N SER A 69 -24.756 -4.978 4.794 1.00 6.86 N ATOM 120 CA SER A 69 -24.362 -5.800 5.973 1.00 6.01 C ATOM 121 C SER A 69 -22.891 -5.543 6.312 1.00 5.07 C ATOM 122 O SER A 69 -22.559 -5.143 7.410 1.00 5.28 O ATOM 123 CB SER A 69 -24.560 -7.279 5.649 1.00 6.54 C ATOM 124 OG SER A 69 -25.913 -7.499 5.266 1.00 7.08 O ATOM 0 H SER A 69 -25.214 -5.491 4.041 1.00 6.86 H new ATOM 0 HA SER A 69 -24.981 -5.528 6.828 1.00 6.01 H new ATOM 0 HB2 SER A 69 -23.889 -7.580 4.845 1.00 6.54 H new ATOM 0 HB3 SER A 69 -24.312 -7.890 6.517 1.00 6.54 H new ATOM 0 HG SER A 69 -26.043 -8.447 5.056 1.00 7.08 H new ATOM 130 N GLU A 70 -22.008 -5.773 5.379 1.00 4.41 N ATOM 131 CA GLU A 70 -20.561 -5.546 5.654 1.00 3.84 C ATOM 132 C GLU A 70 -19.857 -5.102 4.365 1.00 2.84 C ATOM 133 O GLU A 70 -19.560 -5.919 3.515 1.00 3.00 O ATOM 134 CB GLU A 70 -19.932 -6.851 6.149 1.00 4.55 C ATOM 135 CG GLU A 70 -19.677 -6.756 7.655 1.00 5.41 C ATOM 136 CD GLU A 70 -18.337 -6.061 7.902 1.00 6.00 C ATOM 137 OE1 GLU A 70 -17.352 -6.500 7.334 1.00 6.28 O ATOM 138 OE2 GLU A 70 -18.320 -5.103 8.658 1.00 6.49 O ATOM 0 H GLU A 70 -22.225 -6.108 4.440 1.00 4.41 H new ATOM 0 HA GLU A 70 -20.451 -4.772 6.413 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -20.593 -7.690 5.934 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -18.996 -7.039 5.622 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -20.481 -6.200 8.137 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -19.669 -7.752 8.097 1.00 5.41 H new ATOM 145 N PRO A 71 -19.608 -3.820 4.255 1.00 2.18 N ATOM 146 CA PRO A 71 -18.935 -3.251 3.073 1.00 1.51 C ATOM 147 C PRO A 71 -17.555 -3.889 2.897 1.00 1.23 C ATOM 148 O PRO A 71 -16.539 -3.294 3.202 1.00 1.13 O ATOM 149 CB PRO A 71 -18.807 -1.752 3.375 1.00 1.87 C ATOM 150 CG PRO A 71 -19.460 -1.492 4.758 1.00 2.49 C ATOM 151 CD PRO A 71 -19.971 -2.838 5.294 1.00 2.65 C ATOM 0 HA PRO A 71 -19.487 -3.433 2.151 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -17.759 -1.452 3.384 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -19.300 -1.163 2.602 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -18.736 -1.056 5.447 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -20.281 -0.781 4.666 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -19.509 -3.084 6.250 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -21.048 -2.815 5.458 1.00 2.65 H new ATOM 159 N GLU A 72 -17.511 -5.098 2.409 1.00 1.29 N ATOM 160 CA GLU A 72 -16.201 -5.779 2.217 1.00 1.13 C ATOM 161 C GLU A 72 -15.309 -4.934 1.305 1.00 1.00 C ATOM 162 O GLU A 72 -14.159 -4.692 1.603 1.00 0.97 O ATOM 163 CB GLU A 72 -16.428 -7.151 1.582 1.00 1.32 C ATOM 164 CG GLU A 72 -17.159 -6.984 0.249 1.00 1.94 C ATOM 165 CD GLU A 72 -17.884 -8.284 -0.103 1.00 2.47 C ATOM 166 OE1 GLU A 72 -17.883 -9.183 0.723 1.00 2.89 O ATOM 167 OE2 GLU A 72 -18.430 -8.359 -1.192 1.00 3.01 O ATOM 0 H GLU A 72 -18.328 -5.644 2.135 1.00 1.29 H new ATOM 0 HA GLU A 72 -15.713 -5.902 3.184 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -15.473 -7.653 1.424 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -17.012 -7.781 2.252 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -17.873 -6.163 0.314 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -16.449 -6.727 -0.537 1.00 1.94 H new ATOM 174 N ILE A 73 -15.825 -4.489 0.191 1.00 0.99 N ATOM 175 CA ILE A 73 -15.004 -3.671 -0.736 1.00 0.91 C ATOM 176 C ILE A 73 -14.446 -2.450 -0.002 1.00 0.80 C ATOM 177 O ILE A 73 -13.277 -2.131 -0.110 1.00 0.74 O ATOM 178 CB ILE A 73 -15.879 -3.212 -1.900 1.00 1.03 C ATOM 179 CG1 ILE A 73 -14.988 -2.646 -2.997 1.00 1.05 C ATOM 180 CG2 ILE A 73 -16.852 -2.134 -1.420 1.00 1.28 C ATOM 181 CD1 ILE A 73 -14.701 -3.739 -4.025 1.00 1.48 C ATOM 0 H ILE A 73 -16.783 -4.659 -0.114 1.00 0.99 H new ATOM 0 HA ILE A 73 -14.172 -4.269 -1.109 1.00 0.91 H new ATOM 0 HB ILE A 73 -16.448 -4.057 -2.287 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -15.476 -1.798 -3.477 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -14.055 -2.277 -2.570 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -17.475 -1.809 -2.253 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -17.485 -2.540 -0.631 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -16.291 -1.283 -1.033 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -14.063 -3.339 -4.813 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -14.196 -4.573 -3.538 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -15.639 -4.086 -4.459 1.00 1.48 H new ATOM 193 N THR A 74 -15.266 -1.763 0.743 1.00 0.81 N ATOM 194 CA THR A 74 -14.772 -0.566 1.480 1.00 0.76 C ATOM 195 C THR A 74 -13.610 -0.977 2.385 1.00 0.68 C ATOM 196 O THR A 74 -12.579 -0.335 2.423 1.00 0.62 O ATOM 197 CB THR A 74 -15.904 0.012 2.331 1.00 0.86 C ATOM 198 OG1 THR A 74 -17.154 -0.329 1.747 1.00 1.35 O ATOM 199 CG2 THR A 74 -15.770 1.534 2.398 1.00 1.19 C ATOM 0 H THR A 74 -16.255 -1.978 0.874 1.00 0.81 H new ATOM 0 HA THR A 74 -14.433 0.188 0.770 1.00 0.76 H new ATOM 0 HB THR A 74 -15.847 -0.400 3.339 1.00 0.86 H new ATOM 0 HG1 THR A 74 -17.812 0.368 1.952 1.00 1.35 H new ATOM 0 HG21 THR A 74 -16.577 1.944 3.005 1.00 1.19 H new ATOM 0 HG22 THR A 74 -14.811 1.795 2.845 1.00 1.19 H new ATOM 0 HG23 THR A 74 -15.826 1.949 1.392 1.00 1.19 H new ATOM 207 N LEU A 75 -13.772 -2.045 3.115 1.00 0.72 N ATOM 208 CA LEU A 75 -12.680 -2.503 4.021 1.00 0.69 C ATOM 209 C LEU A 75 -11.484 -2.968 3.190 1.00 0.58 C ATOM 210 O LEU A 75 -10.356 -2.611 3.467 1.00 0.50 O ATOM 211 CB LEU A 75 -13.185 -3.661 4.886 1.00 0.82 C ATOM 212 CG LEU A 75 -12.357 -3.747 6.172 1.00 0.88 C ATOM 213 CD1 LEU A 75 -12.649 -5.073 6.877 1.00 0.87 C ATOM 214 CD2 LEU A 75 -10.868 -3.675 5.830 1.00 1.02 C ATOM 0 H LEU A 75 -14.614 -2.621 3.124 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.373 -1.678 4.663 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -14.237 -3.513 5.129 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -13.114 -4.598 4.333 1.00 0.82 H new ATOM 0 HG LEU A 75 -12.620 -2.917 6.827 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -12.061 -5.136 7.792 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -13.709 -5.129 7.123 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.385 -5.901 6.219 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -10.281 -3.736 6.746 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -10.605 -4.505 5.174 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -10.656 -2.732 5.325 1.00 1.02 H new ATOM 226 N ILE A 76 -11.708 -3.765 2.182 1.00 0.62 N ATOM 227 CA ILE A 76 -10.559 -4.237 1.363 1.00 0.57 C ATOM 228 C ILE A 76 -9.808 -3.025 0.816 1.00 0.45 C ATOM 229 O ILE A 76 -8.600 -2.936 0.920 1.00 0.38 O ATOM 230 CB ILE A 76 -11.077 -5.085 0.199 1.00 0.69 C ATOM 231 CG1 ILE A 76 -11.700 -6.372 0.744 1.00 0.91 C ATOM 232 CG2 ILE A 76 -9.915 -5.434 -0.733 1.00 0.76 C ATOM 233 CD1 ILE A 76 -12.551 -7.021 -0.346 1.00 1.10 C ATOM 0 H ILE A 76 -12.625 -4.106 1.893 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.890 -4.839 1.978 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.830 -4.524 -0.354 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -10.918 -7.059 1.069 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -12.314 -6.151 1.617 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -10.283 -6.038 -1.562 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.471 -4.517 -1.121 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.162 -5.996 -0.181 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -12.997 -7.938 0.038 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.340 -6.333 -0.649 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -11.924 -7.255 -1.206 1.00 1.10 H new ATOM 245 N ILE A 77 -10.509 -2.075 0.257 1.00 0.44 N ATOM 246 CA ILE A 77 -9.815 -0.865 -0.260 1.00 0.36 C ATOM 247 C ILE A 77 -9.042 -0.214 0.889 1.00 0.28 C ATOM 248 O ILE A 77 -7.885 0.134 0.760 1.00 0.25 O ATOM 249 CB ILE A 77 -10.842 0.127 -0.810 1.00 0.39 C ATOM 250 CG1 ILE A 77 -11.402 -0.400 -2.133 1.00 1.21 C ATOM 251 CG2 ILE A 77 -10.168 1.480 -1.049 1.00 1.18 C ATOM 252 CD1 ILE A 77 -10.317 -0.335 -3.211 1.00 1.58 C ATOM 0 H ILE A 77 -11.522 -2.085 0.138 1.00 0.44 H new ATOM 0 HA ILE A 77 -9.130 -1.147 -1.060 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.653 0.245 -0.091 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -11.746 -1.427 -2.011 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -12.266 0.192 -2.436 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -10.900 2.187 -1.441 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -9.766 1.858 -0.109 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -9.357 1.361 -1.768 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -10.717 -0.711 -4.153 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -9.994 0.698 -3.340 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -9.467 -0.946 -2.909 1.00 1.58 H new ATOM 264 N PHE A 78 -9.685 -0.049 2.015 1.00 0.31 N ATOM 265 CA PHE A 78 -9.008 0.580 3.185 1.00 0.32 C ATOM 266 C PHE A 78 -7.753 -0.212 3.555 1.00 0.30 C ATOM 267 O PHE A 78 -6.697 0.350 3.766 1.00 0.30 O ATOM 268 CB PHE A 78 -9.964 0.602 4.382 1.00 0.41 C ATOM 269 CG PHE A 78 -10.887 1.792 4.271 1.00 0.80 C ATOM 270 CD1 PHE A 78 -11.371 2.188 3.018 1.00 1.52 C ATOM 271 CD2 PHE A 78 -11.256 2.501 5.419 1.00 1.66 C ATOM 272 CE1 PHE A 78 -12.226 3.292 2.915 1.00 1.97 C ATOM 273 CE2 PHE A 78 -12.110 3.605 5.316 1.00 2.09 C ATOM 274 CZ PHE A 78 -12.596 4.001 4.064 1.00 1.95 C ATOM 0 H PHE A 78 -10.654 -0.324 2.174 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.724 1.599 2.922 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.545 -0.320 4.413 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.398 0.654 5.312 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -11.085 1.642 2.131 1.00 1.52 H new ATOM 0 HD2 PHE A 78 -10.882 2.196 6.385 1.00 1.66 H new ATOM 0 HE1 PHE A 78 -12.600 3.597 1.949 1.00 1.97 H new ATOM 0 HE2 PHE A 78 -12.394 4.152 6.203 1.00 2.09 H new ATOM 0 HZ PHE A 78 -13.256 4.853 3.985 1.00 1.95 H new ATOM 284 N GLY A 79 -7.855 -1.512 3.645 1.00 0.31 N ATOM 285 CA GLY A 79 -6.656 -2.316 4.013 1.00 0.32 C ATOM 286 C GLY A 79 -5.533 -2.042 3.014 1.00 0.26 C ATOM 287 O GLY A 79 -4.405 -1.790 3.388 1.00 0.26 O ATOM 0 H GLY A 79 -8.708 -2.046 3.481 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.330 -2.062 5.022 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.904 -3.378 4.016 1.00 0.32 H new ATOM 291 N VAL A 80 -5.833 -2.079 1.744 1.00 0.23 N ATOM 292 CA VAL A 80 -4.777 -1.808 0.732 1.00 0.22 C ATOM 293 C VAL A 80 -4.181 -0.421 0.989 1.00 0.21 C ATOM 294 O VAL A 80 -2.977 -0.246 1.031 1.00 0.22 O ATOM 295 CB VAL A 80 -5.395 -1.867 -0.666 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.346 -1.471 -1.707 1.00 0.28 C ATOM 297 CG2 VAL A 80 -5.880 -3.295 -0.947 1.00 0.28 C ATOM 0 H VAL A 80 -6.758 -2.284 1.367 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.987 -2.555 0.804 1.00 0.22 H new ATOM 0 HB VAL A 80 -6.237 -1.177 -0.721 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.787 -1.513 -2.703 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.999 -0.457 -1.507 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.503 -2.160 -1.654 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.321 -3.340 -1.943 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.036 -3.983 -0.892 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.628 -3.578 -0.206 1.00 0.28 H new ATOM 307 N MET A 81 -5.018 0.564 1.179 1.00 0.22 N ATOM 308 CA MET A 81 -4.508 1.937 1.454 1.00 0.25 C ATOM 309 C MET A 81 -3.614 1.905 2.693 1.00 0.27 C ATOM 310 O MET A 81 -2.528 2.450 2.708 1.00 0.28 O ATOM 311 CB MET A 81 -5.687 2.881 1.697 1.00 0.29 C ATOM 312 CG MET A 81 -6.688 2.754 0.547 1.00 0.36 C ATOM 313 SD MET A 81 -6.865 4.354 -0.280 1.00 1.07 S ATOM 314 CE MET A 81 -5.105 4.661 -0.562 1.00 1.70 C ATOM 0 H MET A 81 -6.034 0.476 1.155 1.00 0.22 H new ATOM 0 HA MET A 81 -3.933 2.291 0.599 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.171 2.639 2.643 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.334 3.909 1.774 1.00 0.29 H new ATOM 0 HG2 MET A 81 -6.348 2.001 -0.164 1.00 0.36 H new ATOM 0 HG3 MET A 81 -7.654 2.420 0.927 1.00 0.36 H new ATOM 0 HE1 MET A 81 -4.985 5.345 -1.402 1.00 1.70 H new ATOM 0 HE2 MET A 81 -4.665 5.103 0.332 1.00 1.70 H new ATOM 0 HE3 MET A 81 -4.603 3.720 -0.786 1.00 1.70 H new ATOM 324 N ALA A 82 -4.072 1.270 3.738 1.00 0.28 N ATOM 325 CA ALA A 82 -3.263 1.197 4.986 1.00 0.32 C ATOM 326 C ALA A 82 -1.898 0.568 4.683 1.00 0.30 C ATOM 327 O ALA A 82 -0.876 1.065 5.113 1.00 0.30 O ATOM 328 CB ALA A 82 -4.007 0.378 6.050 1.00 0.37 C ATOM 0 H ALA A 82 -4.975 0.797 3.780 1.00 0.28 H new ATOM 0 HA ALA A 82 -3.108 2.205 5.372 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.407 0.331 6.959 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -4.963 0.852 6.271 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.180 -0.631 5.677 1.00 0.37 H new ATOM 334 N GLY A 83 -1.860 -0.521 3.956 1.00 0.28 N ATOM 335 CA GLY A 83 -0.548 -1.155 3.654 1.00 0.27 C ATOM 336 C GLY A 83 0.362 -0.141 2.960 1.00 0.23 C ATOM 337 O GLY A 83 1.511 0.021 3.320 1.00 0.23 O ATOM 0 H GLY A 83 -2.675 -0.992 3.563 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -0.082 -1.507 4.574 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.692 -2.027 3.016 1.00 0.27 H new ATOM 341 N VAL A 84 -0.139 0.549 1.970 1.00 0.21 N ATOM 342 CA VAL A 84 0.715 1.549 1.269 1.00 0.19 C ATOM 343 C VAL A 84 1.240 2.573 2.282 1.00 0.20 C ATOM 344 O VAL A 84 2.415 2.885 2.315 1.00 0.19 O ATOM 345 CB VAL A 84 -0.113 2.268 0.203 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.739 3.349 -0.464 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.575 1.259 -0.851 1.00 0.27 C ATOM 0 H VAL A 84 -1.093 0.464 1.620 1.00 0.21 H new ATOM 0 HA VAL A 84 1.555 1.041 0.796 1.00 0.19 H new ATOM 0 HB VAL A 84 -0.983 2.730 0.670 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.148 3.861 -1.224 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.067 4.068 0.286 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.610 2.889 -0.931 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -1.165 1.771 -1.611 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.295 0.796 -1.318 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -1.184 0.490 -0.376 1.00 0.27 H new ATOM 357 N ILE A 85 0.377 3.094 3.115 1.00 0.23 N ATOM 358 CA ILE A 85 0.824 4.092 4.129 1.00 0.27 C ATOM 359 C ILE A 85 1.926 3.486 5.004 1.00 0.27 C ATOM 360 O ILE A 85 2.946 4.099 5.248 1.00 0.28 O ATOM 361 CB ILE A 85 -0.364 4.489 5.006 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.433 5.160 4.139 1.00 0.67 C ATOM 363 CG2 ILE A 85 0.102 5.467 6.086 1.00 0.75 C ATOM 364 CD1 ILE A 85 -0.878 6.459 3.553 1.00 1.20 C ATOM 0 H ILE A 85 -0.618 2.871 3.136 1.00 0.23 H new ATOM 0 HA ILE A 85 1.215 4.973 3.620 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.781 3.599 5.478 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -1.739 4.489 3.336 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -2.321 5.369 4.736 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.745 5.750 6.711 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.865 4.992 6.702 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.519 6.357 5.615 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -1.640 6.935 2.936 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -0.594 7.131 4.363 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -0.003 6.238 2.942 1.00 1.20 H new ATOM 376 N GLY A 86 1.724 2.288 5.484 1.00 0.29 N ATOM 377 CA GLY A 86 2.752 1.643 6.347 1.00 0.33 C ATOM 378 C GLY A 86 4.086 1.573 5.603 1.00 0.30 C ATOM 379 O GLY A 86 5.124 1.905 6.140 1.00 0.33 O ATOM 0 H GLY A 86 0.889 1.728 5.314 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.870 2.209 7.271 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.428 0.640 6.626 1.00 0.33 H new ATOM 383 N THR A 87 4.070 1.139 4.373 1.00 0.25 N ATOM 384 CA THR A 87 5.344 1.045 3.608 1.00 0.25 C ATOM 385 C THR A 87 6.020 2.417 3.571 1.00 0.26 C ATOM 386 O THR A 87 7.201 2.542 3.828 1.00 0.32 O ATOM 387 CB THR A 87 5.048 0.580 2.180 1.00 0.24 C ATOM 388 OG1 THR A 87 4.479 -0.722 2.216 1.00 0.34 O ATOM 389 CG2 THR A 87 6.348 0.549 1.372 1.00 0.31 C ATOM 0 H THR A 87 3.234 0.847 3.867 1.00 0.25 H new ATOM 0 HA THR A 87 6.007 0.328 4.092 1.00 0.25 H new ATOM 0 HB THR A 87 4.347 1.270 1.710 1.00 0.24 H new ATOM 0 HG1 THR A 87 3.556 -0.667 2.540 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.137 0.218 0.355 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.784 1.548 1.345 1.00 0.31 H new ATOM 0 HG23 THR A 87 7.051 -0.141 1.840 1.00 0.31 H new ATOM 397 N ILE A 88 5.283 3.451 3.263 1.00 0.24 N ATOM 398 CA ILE A 88 5.899 4.807 3.224 1.00 0.33 C ATOM 399 C ILE A 88 6.526 5.118 4.586 1.00 0.39 C ATOM 400 O ILE A 88 7.652 5.563 4.678 1.00 0.47 O ATOM 401 CB ILE A 88 4.825 5.850 2.909 1.00 0.37 C ATOM 402 CG1 ILE A 88 4.183 5.528 1.557 1.00 0.39 C ATOM 403 CG2 ILE A 88 5.464 7.237 2.851 1.00 0.47 C ATOM 404 CD1 ILE A 88 3.134 6.591 1.224 1.00 0.49 C ATOM 0 H ILE A 88 4.289 3.415 3.038 1.00 0.24 H new ATOM 0 HA ILE A 88 6.667 4.835 2.451 1.00 0.33 H new ATOM 0 HB ILE A 88 4.062 5.833 3.687 1.00 0.37 H new ATOM 0 HG12 ILE A 88 4.945 5.498 0.778 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.720 4.542 1.588 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.699 7.981 2.627 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.923 7.467 3.813 1.00 0.47 H new ATOM 0 HG23 ILE A 88 6.226 7.254 2.072 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.677 6.362 0.261 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.366 6.599 1.998 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.611 7.570 1.175 1.00 0.49 H new ATOM 416 N LEU A 89 5.800 4.877 5.644 1.00 0.39 N ATOM 417 CA LEU A 89 6.345 5.148 7.004 1.00 0.49 C ATOM 418 C LEU A 89 7.647 4.355 7.194 1.00 0.53 C ATOM 419 O LEU A 89 8.644 4.877 7.655 1.00 0.62 O ATOM 420 CB LEU A 89 5.280 4.765 8.058 1.00 0.53 C ATOM 421 CG LEU A 89 5.797 3.695 9.028 1.00 0.59 C ATOM 422 CD1 LEU A 89 6.890 4.293 9.915 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.642 3.204 9.904 1.00 0.65 C ATOM 0 H LEU A 89 4.851 4.503 5.624 1.00 0.39 H new ATOM 0 HA LEU A 89 6.577 6.206 7.124 1.00 0.49 H new ATOM 0 HB2 LEU A 89 4.988 5.653 8.619 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.386 4.397 7.554 1.00 0.53 H new ATOM 0 HG LEU A 89 6.208 2.859 8.462 1.00 0.59 H new ATOM 0 HD11 LEU A 89 7.257 3.532 10.604 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.712 4.645 9.292 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.481 5.129 10.482 1.00 0.68 H new ATOM 0 HD21 LEU A 89 5.007 2.443 10.594 1.00 0.65 H new ATOM 0 HD22 LEU A 89 4.233 4.041 10.470 1.00 0.65 H new ATOM 0 HD23 LEU A 89 3.863 2.777 9.273 1.00 0.65 H new ATOM 435 N LEU A 90 7.640 3.097 6.845 1.00 0.49 N ATOM 436 CA LEU A 90 8.874 2.269 7.009 1.00 0.57 C ATOM 437 C LEU A 90 10.028 2.917 6.243 1.00 0.60 C ATOM 438 O LEU A 90 11.121 3.064 6.754 1.00 0.71 O ATOM 439 CB LEU A 90 8.624 0.861 6.461 1.00 0.56 C ATOM 440 CG LEU A 90 9.947 0.097 6.385 1.00 1.24 C ATOM 441 CD1 LEU A 90 10.502 -0.109 7.796 1.00 1.76 C ATOM 442 CD2 LEU A 90 9.710 -1.265 5.727 1.00 1.92 C ATOM 0 H LEU A 90 6.836 2.606 6.454 1.00 0.49 H new ATOM 0 HA LEU A 90 9.130 2.205 8.067 1.00 0.57 H new ATOM 0 HB2 LEU A 90 7.922 0.329 7.103 1.00 0.56 H new ATOM 0 HB3 LEU A 90 8.169 0.920 5.472 1.00 0.56 H new ATOM 0 HG LEU A 90 10.663 0.669 5.794 1.00 1.24 H new ATOM 0 HD11 LEU A 90 11.445 -0.653 7.740 1.00 1.76 H new ATOM 0 HD12 LEU A 90 10.670 0.860 8.266 1.00 1.76 H new ATOM 0 HD13 LEU A 90 9.787 -0.681 8.388 1.00 1.76 H new ATOM 0 HD21 LEU A 90 10.652 -1.811 5.672 1.00 1.92 H new ATOM 0 HD22 LEU A 90 8.994 -1.835 6.319 1.00 1.92 H new ATOM 0 HD23 LEU A 90 9.315 -1.120 4.721 1.00 1.92 H new ATOM 454 N ILE A 91 9.794 3.308 5.021 1.00 0.55 N ATOM 455 CA ILE A 91 10.876 3.950 4.223 1.00 0.65 C ATOM 456 C ILE A 91 11.400 5.175 4.968 1.00 0.75 C ATOM 457 O ILE A 91 12.592 5.364 5.101 1.00 0.87 O ATOM 458 CB ILE A 91 10.325 4.375 2.861 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.716 3.159 2.157 1.00 0.58 C ATOM 460 CG2 ILE A 91 11.457 4.944 2.005 1.00 0.75 C ATOM 461 CD1 ILE A 91 8.869 3.625 0.972 1.00 0.66 C ATOM 0 H ILE A 91 8.900 3.211 4.540 1.00 0.55 H new ATOM 0 HA ILE A 91 11.689 3.239 4.077 1.00 0.65 H new ATOM 0 HB ILE A 91 9.559 5.138 3.002 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.506 2.492 1.813 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.101 2.591 2.856 1.00 0.58 H new ATOM 0 HG21 ILE A 91 11.063 5.246 1.035 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.892 5.809 2.505 1.00 0.75 H new ATOM 0 HG23 ILE A 91 12.224 4.183 1.864 1.00 0.75 H new ATOM 0 HD11 ILE A 91 8.436 2.759 0.471 1.00 0.66 H new ATOM 0 HD12 ILE A 91 8.070 4.275 1.329 1.00 0.66 H new ATOM 0 HD13 ILE A 91 9.497 4.174 0.270 1.00 0.66 H new ATOM 473 N SER A 92 10.527 6.012 5.460 1.00 0.73 N ATOM 474 CA SER A 92 11.011 7.212 6.192 1.00 0.87 C ATOM 475 C SER A 92 11.901 6.758 7.348 1.00 0.94 C ATOM 476 O SER A 92 12.989 7.260 7.541 1.00 1.07 O ATOM 477 CB SER A 92 9.815 7.992 6.741 1.00 0.86 C ATOM 478 OG SER A 92 8.612 7.422 6.243 1.00 1.29 O ATOM 0 H SER A 92 9.514 5.918 5.387 1.00 0.73 H new ATOM 0 HA SER A 92 11.578 7.854 5.519 1.00 0.87 H new ATOM 0 HB2 SER A 92 9.819 7.966 7.831 1.00 0.86 H new ATOM 0 HB3 SER A 92 9.883 9.039 6.447 1.00 0.86 H new ATOM 0 HG SER A 92 7.844 7.919 6.595 1.00 1.29 H new ATOM 484 N TYR A 93 11.460 5.798 8.113 1.00 0.89 N ATOM 485 CA TYR A 93 12.307 5.314 9.236 1.00 1.00 C ATOM 486 C TYR A 93 13.657 4.838 8.685 1.00 1.05 C ATOM 487 O TYR A 93 14.704 5.178 9.199 1.00 1.18 O ATOM 488 CB TYR A 93 11.605 4.154 9.945 1.00 0.96 C ATOM 489 CG TYR A 93 11.747 4.317 11.439 1.00 1.27 C ATOM 490 CD1 TYR A 93 12.931 3.929 12.077 1.00 1.62 C ATOM 491 CD2 TYR A 93 10.695 4.859 12.188 1.00 2.13 C ATOM 492 CE1 TYR A 93 13.063 4.081 13.462 1.00 1.95 C ATOM 493 CE2 TYR A 93 10.827 5.011 13.573 1.00 2.53 C ATOM 494 CZ TYR A 93 12.011 4.621 14.210 1.00 2.15 C ATOM 495 OH TYR A 93 12.139 4.770 15.576 1.00 2.64 O ATOM 0 H TYR A 93 10.558 5.332 8.010 1.00 0.89 H new ATOM 0 HA TYR A 93 12.469 6.125 9.946 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.551 4.130 9.670 1.00 0.96 H new ATOM 0 HB3 TYR A 93 12.038 3.205 9.629 1.00 0.96 H new ATOM 0 HD1 TYR A 93 13.743 3.512 11.500 1.00 1.62 H new ATOM 0 HD2 TYR A 93 9.782 5.160 11.697 1.00 2.13 H new ATOM 0 HE1 TYR A 93 13.977 3.781 13.953 1.00 1.95 H new ATOM 0 HE2 TYR A 93 10.016 5.429 14.150 1.00 2.53 H new ATOM 0 HH TYR A 93 11.318 5.161 15.941 1.00 2.64 H new ATOM 505 N GLY A 94 13.637 4.047 7.642 1.00 0.97 N ATOM 506 CA GLY A 94 14.912 3.542 7.055 1.00 1.05 C ATOM 507 C GLY A 94 15.811 4.710 6.648 1.00 1.16 C ATOM 508 O GLY A 94 16.989 4.728 6.947 1.00 1.29 O ATOM 0 H GLY A 94 12.790 3.729 7.172 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.429 2.912 7.779 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.698 2.919 6.186 1.00 1.05 H new ATOM 512 N ILE A 95 15.275 5.685 5.961 1.00 1.14 N ATOM 513 CA ILE A 95 16.133 6.838 5.540 1.00 1.29 C ATOM 514 C ILE A 95 16.765 7.471 6.785 1.00 1.41 C ATOM 515 O ILE A 95 17.952 7.735 6.827 1.00 1.55 O ATOM 516 CB ILE A 95 15.308 7.886 4.753 1.00 1.28 C ATOM 517 CG1 ILE A 95 14.776 8.983 5.687 1.00 1.74 C ATOM 518 CG2 ILE A 95 14.129 7.205 4.054 1.00 1.77 C ATOM 519 CD1 ILE A 95 14.083 10.065 4.856 1.00 2.19 C ATOM 0 H ILE A 95 14.297 5.736 5.676 1.00 1.14 H new ATOM 0 HA ILE A 95 16.919 6.476 4.877 1.00 1.29 H new ATOM 0 HB ILE A 95 15.964 8.344 4.012 1.00 1.28 H new ATOM 0 HG12 ILE A 95 14.076 8.556 6.405 1.00 1.74 H new ATOM 0 HG13 ILE A 95 15.595 9.418 6.260 1.00 1.74 H new ATOM 0 HG21 ILE A 95 13.554 7.949 3.503 1.00 1.77 H new ATOM 0 HG22 ILE A 95 14.503 6.450 3.362 1.00 1.77 H new ATOM 0 HG23 ILE A 95 13.489 6.730 4.798 1.00 1.77 H new ATOM 0 HD11 ILE A 95 13.705 10.845 5.517 1.00 2.19 H new ATOM 0 HD12 ILE A 95 14.797 10.498 4.155 1.00 2.19 H new ATOM 0 HD13 ILE A 95 13.254 9.624 4.303 1.00 2.19 H new ATOM 531 N ARG A 96 15.981 7.708 7.800 1.00 1.37 N ATOM 532 CA ARG A 96 16.532 8.313 9.043 1.00 1.51 C ATOM 533 C ARG A 96 17.664 7.431 9.573 1.00 1.58 C ATOM 534 O ARG A 96 18.723 7.903 9.923 1.00 1.73 O ATOM 535 CB ARG A 96 15.426 8.415 10.095 1.00 1.46 C ATOM 536 CG ARG A 96 14.400 9.462 9.655 1.00 1.73 C ATOM 537 CD ARG A 96 13.805 10.146 10.888 1.00 2.03 C ATOM 538 NE ARG A 96 12.557 9.440 11.292 1.00 2.00 N ATOM 539 CZ ARG A 96 12.035 9.655 12.468 1.00 2.45 C ATOM 540 NH1 ARG A 96 12.781 9.585 13.537 1.00 3.14 N ATOM 541 NH2 ARG A 96 10.767 9.941 12.576 1.00 2.76 N ATOM 0 H ARG A 96 14.981 7.508 7.821 1.00 1.37 H new ATOM 0 HA ARG A 96 16.916 9.310 8.827 1.00 1.51 H new ATOM 0 HB2 ARG A 96 14.942 7.447 10.224 1.00 1.46 H new ATOM 0 HB3 ARG A 96 15.851 8.690 11.060 1.00 1.46 H new ATOM 0 HG2 ARG A 96 14.874 10.201 9.009 1.00 1.73 H new ATOM 0 HG3 ARG A 96 13.610 8.989 9.072 1.00 1.73 H new ATOM 0 HD2 ARG A 96 14.524 10.134 11.707 1.00 2.03 H new ATOM 0 HD3 ARG A 96 13.590 11.192 10.669 1.00 2.03 H new ATOM 0 HE ARG A 96 12.110 8.787 10.648 1.00 2.00 H new ATOM 0 HH11 ARG A 96 13.773 9.362 13.453 1.00 3.14 H new ATOM 0 HH12 ARG A 96 12.372 9.753 14.456 1.00 3.14 H new ATOM 0 HH21 ARG A 96 10.184 9.996 11.741 1.00 2.76 H new ATOM 0 HH22 ARG A 96 10.359 10.109 13.495 1.00 2.76 H new ATOM 555 N ARG A 97 17.448 6.152 9.637 1.00 1.50 N ATOM 556 CA ARG A 97 18.514 5.246 10.144 1.00 1.59 C ATOM 557 C ARG A 97 19.782 5.418 9.302 1.00 1.69 C ATOM 558 O ARG A 97 20.873 5.531 9.825 1.00 1.84 O ATOM 559 CB ARG A 97 18.041 3.792 10.069 1.00 1.50 C ATOM 560 CG ARG A 97 18.864 2.936 11.033 1.00 1.77 C ATOM 561 CD ARG A 97 18.049 2.665 12.299 1.00 2.23 C ATOM 562 NE ARG A 97 18.376 3.693 13.328 1.00 2.70 N ATOM 563 CZ ARG A 97 17.597 3.851 14.363 1.00 3.07 C ATOM 564 NH1 ARG A 97 16.570 4.653 14.290 1.00 3.58 N ATOM 565 NH2 ARG A 97 17.845 3.209 15.471 1.00 3.56 N ATOM 0 H ARG A 97 16.580 5.692 9.361 1.00 1.50 H new ATOM 0 HA ARG A 97 18.732 5.499 11.182 1.00 1.59 H new ATOM 0 HB2 ARG A 97 16.983 3.729 10.323 1.00 1.50 H new ATOM 0 HB3 ARG A 97 18.147 3.416 9.051 1.00 1.50 H new ATOM 0 HG2 ARG A 97 19.139 1.995 10.556 1.00 1.77 H new ATOM 0 HG3 ARG A 97 19.792 3.447 11.288 1.00 1.77 H new ATOM 0 HD2 ARG A 97 16.983 2.689 12.071 1.00 2.23 H new ATOM 0 HD3 ARG A 97 18.271 1.669 12.681 1.00 2.23 H new ATOM 0 HE ARG A 97 19.209 4.273 13.223 1.00 2.70 H new ATOM 0 HH11 ARG A 97 16.376 5.156 13.424 1.00 3.58 H new ATOM 0 HH12 ARG A 97 15.961 4.777 15.099 1.00 3.58 H new ATOM 0 HH21 ARG A 97 18.648 2.583 15.529 1.00 3.56 H new ATOM 0 HH22 ARG A 97 17.236 3.333 16.280 1.00 3.56 H new ATOM 579 N LEU A 98 19.651 5.428 8.004 1.00 1.64 N ATOM 580 CA LEU A 98 20.853 5.580 7.137 1.00 1.75 C ATOM 581 C LEU A 98 21.592 6.869 7.505 1.00 1.91 C ATOM 582 O LEU A 98 22.795 6.876 7.671 1.00 2.05 O ATOM 583 CB LEU A 98 20.420 5.642 5.671 1.00 1.69 C ATOM 584 CG LEU A 98 20.559 4.256 5.040 1.00 2.11 C ATOM 585 CD1 LEU A 98 19.607 4.140 3.848 1.00 2.66 C ATOM 586 CD2 LEU A 98 22.000 4.057 4.563 1.00 2.38 C ATOM 0 H LEU A 98 18.765 5.338 7.507 1.00 1.64 H new ATOM 0 HA LEU A 98 21.516 4.728 7.285 1.00 1.75 H new ATOM 0 HB2 LEU A 98 19.388 5.984 5.600 1.00 1.69 H new ATOM 0 HB3 LEU A 98 21.033 6.363 5.130 1.00 1.69 H new ATOM 0 HG LEU A 98 20.311 3.493 5.778 1.00 2.11 H new ATOM 0 HD11 LEU A 98 19.706 3.152 3.398 1.00 2.66 H new ATOM 0 HD12 LEU A 98 18.581 4.283 4.187 1.00 2.66 H new ATOM 0 HD13 LEU A 98 19.855 4.902 3.109 1.00 2.66 H new ATOM 0 HD21 LEU A 98 22.101 3.069 4.113 1.00 2.38 H new ATOM 0 HD22 LEU A 98 22.247 4.820 3.824 1.00 2.38 H new ATOM 0 HD23 LEU A 98 22.679 4.140 5.412 1.00 2.38 H new ATOM 598 N ILE A 99 20.887 7.957 7.640 1.00 1.90 N ATOM 599 CA ILE A 99 21.563 9.233 8.006 1.00 2.06 C ATOM 600 C ILE A 99 21.939 9.195 9.488 1.00 2.14 C ATOM 601 O ILE A 99 22.771 9.950 9.949 1.00 2.20 O ATOM 602 CB ILE A 99 20.620 10.410 7.745 1.00 2.05 C ATOM 603 CG1 ILE A 99 19.518 10.438 8.811 1.00 1.98 C ATOM 604 CG2 ILE A 99 19.983 10.258 6.362 1.00 2.03 C ATOM 605 CD1 ILE A 99 19.544 11.784 9.537 1.00 2.00 C ATOM 0 H ILE A 99 19.877 8.019 7.514 1.00 1.90 H new ATOM 0 HA ILE A 99 22.462 9.356 7.403 1.00 2.06 H new ATOM 0 HB ILE A 99 21.187 11.340 7.787 1.00 2.05 H new ATOM 0 HG12 ILE A 99 18.544 10.282 8.347 1.00 1.98 H new ATOM 0 HG13 ILE A 99 19.665 9.626 9.523 1.00 1.98 H new ATOM 0 HG21 ILE A 99 19.312 11.096 6.177 1.00 2.03 H new ATOM 0 HG22 ILE A 99 20.764 10.243 5.601 1.00 2.03 H new ATOM 0 HG23 ILE A 99 19.419 9.326 6.321 1.00 2.03 H new ATOM 0 HD11 ILE A 99 18.761 11.804 10.295 1.00 2.00 H new ATOM 0 HD12 ILE A 99 20.514 11.921 10.014 1.00 2.00 H new ATOM 0 HD13 ILE A 99 19.376 12.587 8.820 1.00 2.00 H new ATOM 617 N LYS A 100 21.321 8.324 10.238 1.00 2.35 N ATOM 618 CA LYS A 100 21.628 8.237 11.693 1.00 2.45 C ATOM 619 C LYS A 100 22.649 7.123 11.941 1.00 2.85 C ATOM 620 O LYS A 100 22.431 5.978 11.596 1.00 3.21 O ATOM 621 CB LYS A 100 20.343 7.930 12.464 1.00 2.30 C ATOM 622 CG LYS A 100 20.463 8.461 13.894 1.00 2.60 C ATOM 623 CD LYS A 100 20.208 9.969 13.900 1.00 2.94 C ATOM 624 CE LYS A 100 20.412 10.515 15.314 1.00 3.56 C ATOM 625 NZ LYS A 100 21.626 9.894 15.915 1.00 3.91 N ATOM 0 H LYS A 100 20.615 7.668 9.905 1.00 2.35 H new ATOM 0 HA LYS A 100 22.042 9.186 12.032 1.00 2.45 H new ATOM 0 HB2 LYS A 100 19.489 8.389 11.965 1.00 2.30 H new ATOM 0 HB3 LYS A 100 20.164 6.855 12.478 1.00 2.30 H new ATOM 0 HG2 LYS A 100 19.746 7.957 14.542 1.00 2.60 H new ATOM 0 HG3 LYS A 100 21.456 8.247 14.291 1.00 2.60 H new ATOM 0 HD2 LYS A 100 20.885 10.466 13.206 1.00 2.94 H new ATOM 0 HD3 LYS A 100 19.194 10.178 13.561 1.00 2.94 H new ATOM 0 HE2 LYS A 100 20.521 11.599 15.285 1.00 3.56 H new ATOM 0 HE3 LYS A 100 19.538 10.299 15.928 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 21.953 10.473 16.715 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 21.396 8.937 16.252 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 22.378 9.837 15.199 1.00 3.91 H new ATOM 639 N LYS A 101 23.760 7.451 12.542 1.00 3.09 N ATOM 640 CA LYS A 101 24.794 6.413 12.818 1.00 3.63 C ATOM 641 C LYS A 101 25.973 7.056 13.553 1.00 4.10 C ATOM 642 O LYS A 101 26.887 7.508 12.884 1.00 4.56 O ATOM 643 CB LYS A 101 25.284 5.806 11.501 1.00 3.99 C ATOM 644 CG LYS A 101 26.535 4.964 11.765 1.00 4.58 C ATOM 645 CD LYS A 101 26.623 3.838 10.734 1.00 5.25 C ATOM 646 CE LYS A 101 28.091 3.488 10.489 1.00 6.09 C ATOM 647 NZ LYS A 101 28.280 3.112 9.059 1.00 6.53 N ATOM 648 OXT LYS A 101 25.939 7.086 14.772 1.00 4.44 O ATOM 0 H LYS A 101 23.997 8.393 12.854 1.00 3.09 H new ATOM 0 HA LYS A 101 24.361 5.627 13.436 1.00 3.63 H new ATOM 0 HB2 LYS A 101 24.502 5.188 11.059 1.00 3.99 H new ATOM 0 HB3 LYS A 101 25.508 6.596 10.785 1.00 3.99 H new ATOM 0 HG2 LYS A 101 27.425 5.591 11.711 1.00 4.58 H new ATOM 0 HG3 LYS A 101 26.499 4.547 12.771 1.00 4.58 H new ATOM 0 HD2 LYS A 101 26.083 2.961 11.090 1.00 5.25 H new ATOM 0 HD3 LYS A 101 26.151 4.146 9.801 1.00 5.25 H new ATOM 0 HE2 LYS A 101 28.725 4.338 10.739 1.00 6.09 H new ATOM 0 HE3 LYS A 101 28.392 2.664 11.136 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 29.278 2.874 8.892 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 27.685 2.289 8.835 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 28.008 3.911 8.451 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -27.178 -12.140 -20.509 1.00 19.64 N ATOM 664 CA VAL B 62 -28.512 -11.494 -20.668 1.00 19.45 C ATOM 665 C VAL B 62 -29.202 -11.407 -19.306 1.00 18.79 C ATOM 666 O VAL B 62 -29.617 -10.349 -18.876 1.00 19.02 O ATOM 667 CB VAL B 62 -29.371 -12.327 -21.622 1.00 19.77 C ATOM 668 CG1 VAL B 62 -30.716 -11.630 -21.838 1.00 20.22 C ATOM 669 CG2 VAL B 62 -28.651 -12.470 -22.964 1.00 19.99 C ATOM 0 HA VAL B 62 -28.384 -10.491 -21.075 1.00 19.45 H new ATOM 0 HB VAL B 62 -29.538 -13.314 -21.192 1.00 19.77 H new ATOM 0 HG11 VAL B 62 -31.328 -12.223 -22.517 1.00 20.22 H new ATOM 0 HG12 VAL B 62 -31.230 -11.527 -20.882 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -30.549 -10.642 -22.268 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -29.263 -13.063 -23.644 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -28.484 -11.483 -23.394 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -27.693 -12.966 -22.812 1.00 19.99 H new ATOM 681 N GLN B 63 -29.331 -12.512 -18.623 1.00 18.10 N ATOM 682 CA GLN B 63 -29.997 -12.493 -17.290 1.00 17.56 C ATOM 683 C GLN B 63 -29.069 -11.840 -16.264 1.00 16.86 C ATOM 684 O GLN B 63 -27.876 -11.739 -16.468 1.00 16.59 O ATOM 685 CB GLN B 63 -30.308 -13.926 -16.855 1.00 17.30 C ATOM 686 CG GLN B 63 -29.052 -14.789 -17.000 1.00 17.01 C ATOM 687 CD GLN B 63 -28.965 -15.769 -15.829 1.00 16.75 C ATOM 688 OE1 GLN B 63 -29.315 -16.924 -15.963 1.00 17.03 O ATOM 689 NE2 GLN B 63 -28.509 -15.354 -14.678 1.00 16.36 N ATOM 0 H GLN B 63 -29.004 -13.428 -18.931 1.00 18.10 H new ATOM 0 HA GLN B 63 -30.924 -11.923 -17.356 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -30.652 -13.937 -15.821 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -31.115 -14.335 -17.463 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -29.081 -15.335 -17.943 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -28.165 -14.156 -17.025 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -28.215 -14.384 -14.566 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -28.447 -16.000 -13.891 1.00 16.36 H new ATOM 698 N LEU B 64 -29.606 -11.399 -15.160 1.00 16.69 N ATOM 699 CA LEU B 64 -28.753 -10.757 -14.122 1.00 16.15 C ATOM 700 C LEU B 64 -29.072 -11.362 -12.755 1.00 15.61 C ATOM 701 O LEU B 64 -29.670 -10.726 -11.911 1.00 15.57 O ATOM 702 CB LEU B 64 -29.034 -9.256 -14.083 1.00 16.73 C ATOM 703 CG LEU B 64 -27.821 -8.494 -14.622 1.00 16.88 C ATOM 704 CD1 LEU B 64 -28.045 -8.153 -16.096 1.00 17.47 C ATOM 705 CD2 LEU B 64 -27.634 -7.204 -13.821 1.00 17.27 C ATOM 0 H LEU B 64 -30.599 -11.456 -14.932 1.00 16.69 H new ATOM 0 HA LEU B 64 -27.704 -10.926 -14.364 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -29.916 -9.025 -14.680 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -29.249 -8.942 -13.062 1.00 16.73 H new ATOM 0 HG LEU B 64 -26.930 -9.114 -14.526 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -27.181 -7.610 -16.479 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -28.178 -9.072 -16.666 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -28.936 -7.533 -16.195 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -26.770 -6.660 -14.204 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -28.525 -6.584 -13.917 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -27.473 -7.448 -12.771 1.00 17.27 H new ATOM 717 N ALA B 65 -28.679 -12.584 -12.529 1.00 15.34 N ATOM 718 CA ALA B 65 -28.966 -13.218 -11.213 1.00 14.99 C ATOM 719 C ALA B 65 -27.748 -14.025 -10.757 1.00 14.10 C ATOM 720 O ALA B 65 -27.711 -15.233 -10.878 1.00 13.96 O ATOM 721 CB ALA B 65 -30.173 -14.147 -11.346 1.00 15.58 C ATOM 0 H ALA B 65 -28.174 -13.169 -13.195 1.00 15.34 H new ATOM 0 HA ALA B 65 -29.184 -12.443 -10.478 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -30.383 -14.611 -10.382 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -31.041 -13.572 -11.669 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -29.957 -14.921 -12.082 1.00 15.58 H new ATOM 727 N HIS B 66 -26.753 -13.365 -10.232 1.00 13.65 N ATOM 728 CA HIS B 66 -25.540 -14.093 -9.764 1.00 12.91 C ATOM 729 C HIS B 66 -24.985 -13.402 -8.516 1.00 12.30 C ATOM 730 O HIS B 66 -25.617 -12.538 -7.943 1.00 12.38 O ATOM 731 CB HIS B 66 -24.480 -14.084 -10.868 1.00 12.96 C ATOM 732 CG HIS B 66 -24.276 -12.675 -11.352 1.00 13.34 C ATOM 733 ND1 HIS B 66 -23.395 -11.802 -10.734 1.00 13.54 N ATOM 734 CD2 HIS B 66 -24.834 -11.972 -12.392 1.00 13.74 C ATOM 735 CE1 HIS B 66 -23.447 -10.634 -11.401 1.00 14.03 C ATOM 736 NE2 HIS B 66 -24.309 -10.683 -12.420 1.00 14.18 N ATOM 0 H HIS B 66 -26.727 -12.353 -10.107 1.00 13.65 H new ATOM 0 HA HIS B 66 -25.803 -15.123 -9.524 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -23.542 -14.490 -10.490 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -24.794 -14.722 -11.694 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -25.568 -12.360 -13.083 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -22.863 -9.763 -11.143 1.00 14.03 H new ATOM 0 HE2 HIS B 66 -24.534 -9.936 -13.077 1.00 14.18 H new ATOM 744 N HIS B 67 -23.810 -13.776 -8.090 1.00 11.87 N ATOM 745 CA HIS B 67 -23.222 -13.138 -6.878 1.00 11.46 C ATOM 746 C HIS B 67 -21.795 -13.652 -6.667 1.00 10.55 C ATOM 747 O HIS B 67 -21.344 -14.556 -7.341 1.00 10.53 O ATOM 748 CB HIS B 67 -24.073 -13.482 -5.652 1.00 11.84 C ATOM 749 CG HIS B 67 -24.667 -14.856 -5.816 1.00 12.35 C ATOM 750 ND1 HIS B 67 -23.896 -15.963 -6.135 1.00 12.68 N ATOM 751 CD2 HIS B 67 -25.957 -15.316 -5.711 1.00 12.80 C ATOM 752 CE1 HIS B 67 -24.721 -17.024 -6.209 1.00 13.29 C ATOM 753 NE2 HIS B 67 -25.988 -16.685 -5.959 1.00 13.39 N ATOM 0 H HIS B 67 -23.233 -14.494 -8.527 1.00 11.87 H new ATOM 0 HA HIS B 67 -23.202 -12.057 -7.015 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -23.461 -13.445 -4.751 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -24.866 -12.745 -5.529 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -26.817 -14.708 -5.472 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -24.397 -18.028 -6.442 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -26.803 -17.298 -5.951 1.00 13.39 H new ATOM 761 N PHE B 68 -21.084 -13.079 -5.736 1.00 10.00 N ATOM 762 CA PHE B 68 -19.687 -13.531 -5.479 1.00 9.29 C ATOM 763 C PHE B 68 -19.590 -14.107 -4.065 1.00 8.27 C ATOM 764 O PHE B 68 -19.509 -15.305 -3.876 1.00 8.29 O ATOM 765 CB PHE B 68 -18.735 -12.342 -5.607 1.00 9.52 C ATOM 766 CG PHE B 68 -18.447 -12.078 -7.064 1.00 10.43 C ATOM 767 CD1 PHE B 68 -19.436 -11.524 -7.886 1.00 10.86 C ATOM 768 CD2 PHE B 68 -17.188 -12.385 -7.594 1.00 11.07 C ATOM 769 CE1 PHE B 68 -19.166 -11.278 -9.237 1.00 11.86 C ATOM 770 CE2 PHE B 68 -16.919 -12.139 -8.945 1.00 12.06 C ATOM 771 CZ PHE B 68 -17.908 -11.586 -9.767 1.00 12.43 C ATOM 0 H PHE B 68 -21.410 -12.317 -5.141 1.00 10.00 H new ATOM 0 HA PHE B 68 -19.414 -14.297 -6.205 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -19.177 -11.458 -5.148 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -17.807 -12.548 -5.074 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -20.407 -11.287 -7.477 1.00 10.86 H new ATOM 0 HD2 PHE B 68 -16.425 -12.812 -6.960 1.00 11.07 H new ATOM 0 HE1 PHE B 68 -19.929 -10.850 -9.871 1.00 11.86 H new ATOM 0 HE2 PHE B 68 -15.948 -12.376 -9.354 1.00 12.06 H new ATOM 0 HZ PHE B 68 -17.700 -11.397 -10.810 1.00 12.43 H new ATOM 781 N SER B 69 -19.597 -13.262 -3.071 1.00 7.61 N ATOM 782 CA SER B 69 -19.503 -13.757 -1.669 1.00 6.80 C ATOM 783 C SER B 69 -18.146 -14.429 -1.455 1.00 5.60 C ATOM 784 O SER B 69 -17.769 -15.331 -2.176 1.00 5.39 O ATOM 785 CB SER B 69 -20.620 -14.767 -1.407 1.00 7.36 C ATOM 786 OG SER B 69 -21.712 -14.108 -0.777 1.00 8.12 O ATOM 0 H SER B 69 -19.664 -12.249 -3.170 1.00 7.61 H new ATOM 0 HA SER B 69 -19.605 -12.918 -0.981 1.00 6.80 H new ATOM 0 HB2 SER B 69 -20.945 -15.219 -2.344 1.00 7.36 H new ATOM 0 HB3 SER B 69 -20.254 -15.575 -0.774 1.00 7.36 H new ATOM 0 HG SER B 69 -22.431 -14.753 -0.609 1.00 8.12 H new ATOM 792 N GLU B 70 -17.409 -13.998 -0.469 1.00 5.12 N ATOM 793 CA GLU B 70 -16.077 -14.613 -0.211 1.00 4.22 C ATOM 794 C GLU B 70 -15.541 -14.121 1.136 1.00 3.04 C ATOM 795 O GLU B 70 -16.067 -13.187 1.707 1.00 3.18 O ATOM 796 CB GLU B 70 -15.108 -14.211 -1.324 1.00 4.88 C ATOM 797 CG GLU B 70 -15.006 -15.344 -2.347 1.00 5.77 C ATOM 798 CD GLU B 70 -13.612 -15.337 -2.979 1.00 6.71 C ATOM 799 OE1 GLU B 70 -13.163 -14.269 -3.359 1.00 7.09 O ATOM 800 OE2 GLU B 70 -13.019 -16.399 -3.069 1.00 7.29 O ATOM 0 H GLU B 70 -17.671 -13.247 0.169 1.00 5.12 H new ATOM 0 HA GLU B 70 -16.174 -15.698 -0.188 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -15.454 -13.299 -1.810 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -14.125 -13.996 -0.905 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -15.193 -16.303 -1.863 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -15.767 -15.222 -3.118 1.00 5.77 H new ATOM 807 N PRO B 71 -14.502 -14.769 1.604 1.00 2.28 N ATOM 808 CA PRO B 71 -13.872 -14.416 2.886 1.00 1.48 C ATOM 809 C PRO B 71 -13.381 -12.966 2.851 1.00 1.33 C ATOM 810 O PRO B 71 -12.307 -12.673 2.362 1.00 1.29 O ATOM 811 CB PRO B 71 -12.692 -15.387 3.025 1.00 2.00 C ATOM 812 CG PRO B 71 -12.702 -16.321 1.789 1.00 2.71 C ATOM 813 CD PRO B 71 -13.878 -15.899 0.893 1.00 2.87 C ATOM 0 HA PRO B 71 -14.563 -14.494 3.725 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -11.751 -14.840 3.083 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -12.780 -15.967 3.943 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -11.761 -16.245 1.245 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -12.810 -17.361 2.097 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -13.534 -15.602 -0.098 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -14.584 -16.718 0.754 1.00 2.87 H new ATOM 821 N GLU B 72 -14.164 -12.057 3.366 1.00 1.30 N ATOM 822 CA GLU B 72 -13.748 -10.627 3.362 1.00 1.19 C ATOM 823 C GLU B 72 -12.327 -10.506 3.918 1.00 1.06 C ATOM 824 O GLU B 72 -11.554 -9.674 3.489 1.00 1.01 O ATOM 825 CB GLU B 72 -14.708 -9.815 4.232 1.00 1.29 C ATOM 826 CG GLU B 72 -14.698 -10.366 5.659 1.00 1.90 C ATOM 827 CD GLU B 72 -15.706 -9.594 6.513 1.00 2.25 C ATOM 828 OE1 GLU B 72 -15.407 -8.469 6.876 1.00 2.52 O ATOM 829 OE2 GLU B 72 -16.762 -10.142 6.788 1.00 2.89 O ATOM 0 H GLU B 72 -15.073 -12.244 3.789 1.00 1.30 H new ATOM 0 HA GLU B 72 -13.771 -10.245 2.341 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -14.413 -8.766 4.235 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -15.716 -9.862 3.820 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -14.949 -11.427 5.652 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -13.700 -10.277 6.087 1.00 1.90 H new ATOM 836 N ILE B 73 -11.976 -11.328 4.869 1.00 1.07 N ATOM 837 CA ILE B 73 -10.610 -11.255 5.444 1.00 0.98 C ATOM 838 C ILE B 73 -9.598 -11.769 4.414 1.00 0.89 C ATOM 839 O ILE B 73 -8.509 -11.248 4.288 1.00 0.82 O ATOM 840 CB ILE B 73 -10.553 -12.110 6.715 1.00 1.09 C ATOM 841 CG1 ILE B 73 -9.089 -12.378 7.083 1.00 1.29 C ATOM 842 CG2 ILE B 73 -11.294 -13.433 6.491 1.00 1.27 C ATOM 843 CD1 ILE B 73 -8.538 -13.560 6.275 1.00 2.11 C ATOM 0 H ILE B 73 -12.579 -12.046 5.270 1.00 1.07 H new ATOM 0 HA ILE B 73 -10.366 -10.223 5.696 1.00 0.98 H new ATOM 0 HB ILE B 73 -11.036 -11.576 7.533 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -8.491 -11.488 6.890 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -9.009 -12.590 8.149 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -11.248 -14.034 7.399 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -12.336 -13.229 6.243 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -10.826 -13.978 5.671 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -7.498 -13.735 6.550 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -9.125 -14.453 6.490 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -8.599 -13.333 5.211 1.00 2.11 H new ATOM 855 N THR B 74 -9.949 -12.785 3.676 1.00 0.92 N ATOM 856 CA THR B 74 -9.004 -13.323 2.659 1.00 0.87 C ATOM 857 C THR B 74 -8.741 -12.250 1.603 1.00 0.77 C ATOM 858 O THR B 74 -7.613 -11.990 1.231 1.00 0.69 O ATOM 859 CB THR B 74 -9.619 -14.556 1.992 1.00 0.99 C ATOM 860 OG1 THR B 74 -9.683 -15.617 2.934 1.00 1.57 O ATOM 861 CG2 THR B 74 -8.757 -14.979 0.802 1.00 1.43 C ATOM 0 H THR B 74 -10.847 -13.265 3.733 1.00 0.92 H new ATOM 0 HA THR B 74 -8.067 -13.603 3.140 1.00 0.87 H new ATOM 0 HB THR B 74 -10.623 -14.318 1.642 1.00 0.99 H new ATOM 0 HG1 THR B 74 -9.926 -16.448 2.475 1.00 1.57 H new ATOM 0 HG21 THR B 74 -9.196 -15.857 0.328 1.00 1.43 H new ATOM 0 HG22 THR B 74 -8.708 -14.164 0.080 1.00 1.43 H new ATOM 0 HG23 THR B 74 -7.751 -15.218 1.148 1.00 1.43 H new ATOM 869 N LEU B 75 -9.777 -11.624 1.118 1.00 0.81 N ATOM 870 CA LEU B 75 -9.591 -10.569 0.086 1.00 0.74 C ATOM 871 C LEU B 75 -9.007 -9.315 0.736 1.00 0.62 C ATOM 872 O LEU B 75 -8.061 -8.736 0.239 1.00 0.52 O ATOM 873 CB LEU B 75 -10.951 -10.236 -0.535 1.00 0.87 C ATOM 874 CG LEU B 75 -10.761 -9.481 -1.854 1.00 1.11 C ATOM 875 CD1 LEU B 75 -12.128 -9.175 -2.464 1.00 1.02 C ATOM 876 CD2 LEU B 75 -10.030 -8.162 -1.595 1.00 1.63 C ATOM 0 H LEU B 75 -10.744 -11.798 1.392 1.00 0.81 H new ATOM 0 HA LEU B 75 -8.909 -10.924 -0.686 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.513 -11.153 -0.711 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.537 -9.631 0.157 1.00 0.87 H new ATOM 0 HG LEU B 75 -10.176 -10.097 -2.537 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -11.995 -8.638 -3.403 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -12.660 -10.108 -2.652 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.706 -8.561 -1.773 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -9.897 -7.629 -2.536 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -10.617 -7.549 -0.910 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -9.055 -8.367 -1.154 1.00 1.63 H new ATOM 888 N ILE B 76 -9.552 -8.885 1.840 1.00 0.66 N ATOM 889 CA ILE B 76 -9.001 -7.667 2.493 1.00 0.59 C ATOM 890 C ILE B 76 -7.520 -7.886 2.795 1.00 0.48 C ATOM 891 O ILE B 76 -6.682 -7.061 2.483 1.00 0.39 O ATOM 892 CB ILE B 76 -9.753 -7.415 3.801 1.00 0.70 C ATOM 893 CG1 ILE B 76 -11.207 -7.052 3.494 1.00 0.89 C ATOM 894 CG2 ILE B 76 -9.090 -6.264 4.558 1.00 0.73 C ATOM 895 CD1 ILE B 76 -12.045 -7.184 4.768 1.00 1.02 C ATOM 0 H ILE B 76 -10.345 -9.318 2.313 1.00 0.66 H new ATOM 0 HA ILE B 76 -9.117 -6.808 1.832 1.00 0.59 H new ATOM 0 HB ILE B 76 -9.725 -8.316 4.413 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -11.266 -6.033 3.111 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.601 -7.708 2.717 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -9.626 -6.085 5.490 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -8.054 -6.523 4.779 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -9.116 -5.363 3.945 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -13.081 -6.926 4.550 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -11.996 -8.211 5.131 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -11.656 -6.510 5.531 1.00 1.02 H new ATOM 907 N ILE B 77 -7.185 -9.004 3.382 1.00 0.51 N ATOM 908 CA ILE B 77 -5.753 -9.284 3.680 1.00 0.45 C ATOM 909 C ILE B 77 -4.962 -9.248 2.371 1.00 0.35 C ATOM 910 O ILE B 77 -3.920 -8.631 2.273 1.00 0.30 O ATOM 911 CB ILE B 77 -5.638 -10.665 4.350 1.00 0.52 C ATOM 912 CG1 ILE B 77 -5.817 -10.515 5.868 1.00 1.19 C ATOM 913 CG2 ILE B 77 -4.264 -11.283 4.072 1.00 1.41 C ATOM 914 CD1 ILE B 77 -6.950 -9.529 6.172 1.00 1.86 C ATOM 0 H ILE B 77 -7.840 -9.732 3.667 1.00 0.51 H new ATOM 0 HA ILE B 77 -5.348 -8.534 4.359 1.00 0.45 H new ATOM 0 HB ILE B 77 -6.413 -11.314 3.942 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -6.040 -11.485 6.313 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -4.889 -10.164 6.318 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -4.200 -12.259 4.553 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -4.128 -11.399 2.997 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -3.485 -10.631 4.468 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -7.067 -9.431 7.251 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -6.710 -8.556 5.743 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -7.879 -9.898 5.738 1.00 1.86 H new ATOM 926 N PHE B 78 -5.460 -9.914 1.365 1.00 0.37 N ATOM 927 CA PHE B 78 -4.750 -9.934 0.055 1.00 0.34 C ATOM 928 C PHE B 78 -4.569 -8.498 -0.455 1.00 0.29 C ATOM 929 O PHE B 78 -3.499 -8.117 -0.888 1.00 0.27 O ATOM 930 CB PHE B 78 -5.547 -10.800 -0.953 1.00 0.44 C ATOM 931 CG PHE B 78 -5.833 -10.040 -2.232 1.00 1.05 C ATOM 932 CD1 PHE B 78 -4.796 -9.760 -3.129 1.00 1.80 C ATOM 933 CD2 PHE B 78 -7.134 -9.613 -2.508 1.00 1.97 C ATOM 934 CE1 PHE B 78 -5.063 -9.054 -4.309 1.00 2.57 C ATOM 935 CE2 PHE B 78 -7.403 -8.906 -3.686 1.00 2.71 C ATOM 936 CZ PHE B 78 -6.367 -8.626 -4.587 1.00 2.81 C ATOM 0 H PHE B 78 -6.330 -10.446 1.394 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.761 -10.376 0.173 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -4.983 -11.704 -1.184 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -6.486 -11.117 -0.499 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -3.790 -10.088 -2.912 1.00 1.80 H new ATOM 0 HD2 PHE B 78 -7.932 -9.828 -1.813 1.00 1.97 H new ATOM 0 HE1 PHE B 78 -4.264 -8.840 -5.004 1.00 2.57 H new ATOM 0 HE2 PHE B 78 -8.409 -8.576 -3.900 1.00 2.71 H new ATOM 0 HZ PHE B 78 -6.574 -8.080 -5.496 1.00 2.81 H new ATOM 946 N GLY B 79 -5.605 -7.700 -0.421 1.00 0.30 N ATOM 947 CA GLY B 79 -5.470 -6.303 -0.921 1.00 0.28 C ATOM 948 C GLY B 79 -4.359 -5.588 -0.155 1.00 0.22 C ATOM 949 O GLY B 79 -3.501 -4.955 -0.740 1.00 0.23 O ATOM 0 H GLY B 79 -6.529 -7.954 -0.072 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.245 -6.308 -1.987 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.412 -5.769 -0.797 1.00 0.28 H new ATOM 953 N VAL B 80 -4.356 -5.684 1.147 1.00 0.22 N ATOM 954 CA VAL B 80 -3.283 -5.008 1.925 1.00 0.23 C ATOM 955 C VAL B 80 -1.921 -5.524 1.452 1.00 0.22 C ATOM 956 O VAL B 80 -1.018 -4.760 1.166 1.00 0.23 O ATOM 957 CB VAL B 80 -3.472 -5.307 3.414 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.324 -4.684 4.210 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.804 -4.707 3.886 1.00 0.30 C ATOM 0 H VAL B 80 -5.043 -6.196 1.700 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.332 -3.930 1.771 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.479 -6.386 3.572 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.459 -4.897 5.270 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.377 -5.105 3.873 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.317 -3.605 4.055 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.943 -4.918 4.946 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.793 -3.628 3.729 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.623 -5.148 3.318 1.00 0.30 H new ATOM 969 N MET B 81 -1.776 -6.818 1.342 1.00 0.22 N ATOM 970 CA MET B 81 -0.485 -7.385 0.859 1.00 0.23 C ATOM 971 C MET B 81 -0.173 -6.812 -0.524 1.00 0.24 C ATOM 972 O MET B 81 0.925 -6.369 -0.796 1.00 0.25 O ATOM 973 CB MET B 81 -0.596 -8.909 0.769 1.00 0.26 C ATOM 974 CG MET B 81 -0.842 -9.486 2.164 1.00 0.32 C ATOM 975 SD MET B 81 -1.326 -11.224 2.022 1.00 1.15 S ATOM 976 CE MET B 81 -0.811 -11.738 3.679 1.00 1.83 C ATOM 0 H MET B 81 -2.496 -7.505 1.566 1.00 0.22 H new ATOM 0 HA MET B 81 0.313 -7.124 1.554 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.411 -9.186 0.100 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.318 -9.327 0.347 1.00 0.26 H new ATOM 0 HG2 MET B 81 0.060 -9.397 2.770 1.00 0.32 H new ATOM 0 HG3 MET B 81 -1.624 -8.920 2.671 1.00 0.32 H new ATOM 0 HE1 MET B 81 -1.223 -12.723 3.899 1.00 1.83 H new ATOM 0 HE2 MET B 81 0.277 -11.782 3.725 1.00 1.83 H new ATOM 0 HE3 MET B 81 -1.176 -11.020 4.413 1.00 1.83 H new ATOM 986 N ALA B 82 -1.144 -6.824 -1.397 1.00 0.25 N ATOM 987 CA ALA B 82 -0.933 -6.289 -2.768 1.00 0.27 C ATOM 988 C ALA B 82 -0.471 -4.829 -2.691 1.00 0.26 C ATOM 989 O ALA B 82 0.462 -4.436 -3.364 1.00 0.27 O ATOM 990 CB ALA B 82 -2.230 -6.399 -3.585 1.00 0.31 C ATOM 0 H ALA B 82 -2.081 -7.185 -1.215 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.161 -6.876 -3.265 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.063 -6.004 -4.587 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.530 -7.445 -3.652 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.018 -5.826 -3.096 1.00 0.31 H new ATOM 996 N GLY B 83 -1.109 -4.012 -1.890 1.00 0.25 N ATOM 997 CA GLY B 83 -0.684 -2.590 -1.809 1.00 0.26 C ATOM 998 C GLY B 83 0.790 -2.523 -1.417 1.00 0.24 C ATOM 999 O GLY B 83 1.569 -1.818 -2.027 1.00 0.24 O ATOM 0 H GLY B 83 -1.897 -4.269 -1.296 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -0.839 -2.097 -2.769 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.291 -2.059 -1.076 1.00 0.26 H new ATOM 1003 N VAL B 84 1.191 -3.255 -0.412 1.00 0.22 N ATOM 1004 CA VAL B 84 2.628 -3.218 -0.016 1.00 0.21 C ATOM 1005 C VAL B 84 3.492 -3.615 -1.218 1.00 0.21 C ATOM 1006 O VAL B 84 4.458 -2.953 -1.549 1.00 0.21 O ATOM 1007 CB VAL B 84 2.869 -4.199 1.132 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.335 -4.129 1.565 1.00 0.28 C ATOM 1009 CG2 VAL B 84 1.970 -3.827 2.314 1.00 0.31 C ATOM 0 H VAL B 84 0.596 -3.868 0.145 1.00 0.22 H new ATOM 0 HA VAL B 84 2.892 -2.212 0.309 1.00 0.21 H new ATOM 0 HB VAL B 84 2.637 -5.211 0.801 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.506 -4.828 2.383 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.976 -4.391 0.723 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.568 -3.117 1.897 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.140 -4.525 3.134 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.204 -2.815 2.645 1.00 0.31 H new ATOM 0 HG23 VAL B 84 0.925 -3.876 2.006 1.00 0.31 H new ATOM 1019 N ILE B 85 3.144 -4.687 -1.881 1.00 0.23 N ATOM 1020 CA ILE B 85 3.932 -5.123 -3.068 1.00 0.25 C ATOM 1021 C ILE B 85 3.973 -3.996 -4.103 1.00 0.26 C ATOM 1022 O ILE B 85 5.014 -3.668 -4.639 1.00 0.26 O ATOM 1023 CB ILE B 85 3.279 -6.361 -3.687 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.323 -7.514 -2.681 1.00 0.32 C ATOM 1025 CG2 ILE B 85 4.038 -6.760 -4.954 1.00 0.40 C ATOM 1026 CD1 ILE B 85 2.430 -8.655 -3.170 1.00 1.06 C ATOM 0 H ILE B 85 2.346 -5.279 -1.650 1.00 0.23 H new ATOM 0 HA ILE B 85 4.949 -5.364 -2.757 1.00 0.25 H new ATOM 0 HB ILE B 85 2.243 -6.138 -3.941 1.00 0.30 H new ATOM 0 HG12 ILE B 85 4.347 -7.866 -2.561 1.00 0.32 H new ATOM 0 HG13 ILE B 85 2.987 -7.170 -1.703 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.573 -7.642 -5.394 1.00 0.40 H new ATOM 0 HG22 ILE B 85 4.009 -5.938 -5.670 1.00 0.40 H new ATOM 0 HG23 ILE B 85 5.074 -6.985 -4.702 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.462 -9.475 -2.453 1.00 1.06 H new ATOM 0 HD12 ILE B 85 1.405 -8.298 -3.267 1.00 1.06 H new ATOM 0 HD13 ILE B 85 2.786 -9.006 -4.139 1.00 1.06 H new ATOM 1038 N GLY B 86 2.844 -3.404 -4.393 1.00 0.27 N ATOM 1039 CA GLY B 86 2.810 -2.304 -5.396 1.00 0.30 C ATOM 1040 C GLY B 86 3.765 -1.189 -4.976 1.00 0.27 C ATOM 1041 O GLY B 86 4.539 -0.692 -5.770 1.00 0.29 O ATOM 0 H GLY B 86 1.943 -3.637 -3.976 1.00 0.27 H new ATOM 0 HA2 GLY B 86 3.092 -2.686 -6.377 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.797 -1.913 -5.485 1.00 0.30 H new ATOM 1045 N THR B 87 3.718 -0.785 -3.737 1.00 0.24 N ATOM 1046 CA THR B 87 4.627 0.304 -3.285 1.00 0.24 C ATOM 1047 C THR B 87 6.076 -0.101 -3.555 1.00 0.24 C ATOM 1048 O THR B 87 6.849 0.661 -4.100 1.00 0.28 O ATOM 1049 CB THR B 87 4.434 0.541 -1.785 1.00 0.25 C ATOM 1050 OG1 THR B 87 3.060 0.788 -1.519 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.267 1.747 -1.347 1.00 0.28 C ATOM 0 H THR B 87 3.094 -1.159 -3.022 1.00 0.24 H new ATOM 0 HA THR B 87 4.397 1.220 -3.829 1.00 0.24 H new ATOM 0 HB THR B 87 4.758 -0.341 -1.232 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.569 -0.060 -1.517 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.129 1.916 -0.279 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.320 1.555 -1.551 1.00 0.28 H new ATOM 0 HG23 THR B 87 4.946 2.631 -1.898 1.00 0.28 H new ATOM 1059 N ILE B 88 6.453 -1.297 -3.192 1.00 0.23 N ATOM 1060 CA ILE B 88 7.853 -1.735 -3.450 1.00 0.29 C ATOM 1061 C ILE B 88 8.140 -1.624 -4.950 1.00 0.33 C ATOM 1062 O ILE B 88 9.149 -1.086 -5.366 1.00 0.40 O ATOM 1063 CB ILE B 88 8.028 -3.188 -3.002 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.811 -3.285 -1.490 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.440 -3.662 -3.345 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.920 -4.746 -1.050 1.00 0.41 C ATOM 0 H ILE B 88 5.857 -1.985 -2.731 1.00 0.23 H new ATOM 0 HA ILE B 88 8.545 -1.103 -2.893 1.00 0.29 H new ATOM 0 HB ILE B 88 7.300 -3.816 -3.515 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.552 -2.681 -0.966 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.831 -2.887 -1.227 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.564 -4.697 -3.026 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.595 -3.593 -4.422 1.00 0.40 H new ATOM 0 HG23 ILE B 88 10.169 -3.034 -2.833 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.765 -4.814 0.027 1.00 0.41 H new ATOM 0 HD12 ILE B 88 7.163 -5.338 -1.564 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.910 -5.128 -1.299 1.00 0.41 H new ATOM 1078 N LEU B 89 7.248 -2.122 -5.762 1.00 0.33 N ATOM 1079 CA LEU B 89 7.444 -2.045 -7.235 1.00 0.41 C ATOM 1080 C LEU B 89 7.609 -0.575 -7.644 1.00 0.44 C ATOM 1081 O LEU B 89 8.495 -0.225 -8.399 1.00 0.51 O ATOM 1082 CB LEU B 89 6.234 -2.708 -7.935 1.00 0.44 C ATOM 1083 CG LEU B 89 5.561 -1.756 -8.933 1.00 0.76 C ATOM 1084 CD1 LEU B 89 6.465 -1.570 -10.152 1.00 1.14 C ATOM 1085 CD2 LEU B 89 4.224 -2.353 -9.378 1.00 1.06 C ATOM 0 H LEU B 89 6.387 -2.581 -5.465 1.00 0.33 H new ATOM 0 HA LEU B 89 8.345 -2.579 -7.538 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.563 -3.607 -8.456 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.508 -3.022 -7.185 1.00 0.44 H new ATOM 0 HG LEU B 89 5.391 -0.790 -8.457 1.00 0.76 H new ATOM 0 HD11 LEU B 89 5.986 -0.894 -10.860 1.00 1.14 H new ATOM 0 HD12 LEU B 89 7.419 -1.149 -9.836 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.635 -2.535 -10.630 1.00 1.14 H new ATOM 0 HD21 LEU B 89 3.743 -1.679 -10.087 1.00 1.06 H new ATOM 0 HD22 LEU B 89 4.397 -3.318 -9.854 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.579 -2.487 -8.510 1.00 1.06 H new ATOM 1097 N LEU B 90 6.755 0.284 -7.157 1.00 0.40 N ATOM 1098 CA LEU B 90 6.857 1.726 -7.524 1.00 0.47 C ATOM 1099 C LEU B 90 8.242 2.257 -7.157 1.00 0.51 C ATOM 1100 O LEU B 90 8.888 2.922 -7.941 1.00 0.60 O ATOM 1101 CB LEU B 90 5.792 2.519 -6.765 1.00 0.47 C ATOM 1102 CG LEU B 90 4.401 2.035 -7.179 1.00 1.14 C ATOM 1103 CD1 LEU B 90 3.345 2.687 -6.284 1.00 2.02 C ATOM 1104 CD2 LEU B 90 4.140 2.420 -8.638 1.00 1.67 C ATOM 0 H LEU B 90 5.992 0.050 -6.522 1.00 0.40 H new ATOM 0 HA LEU B 90 6.702 1.836 -8.597 1.00 0.47 H new ATOM 0 HB2 LEU B 90 5.927 2.393 -5.691 1.00 0.47 H new ATOM 0 HB3 LEU B 90 5.896 3.583 -6.977 1.00 0.47 H new ATOM 0 HG LEU B 90 4.348 0.951 -7.073 1.00 1.14 H new ATOM 0 HD11 LEU B 90 2.354 2.342 -6.579 1.00 2.02 H new ATOM 0 HD12 LEU B 90 3.530 2.414 -5.245 1.00 2.02 H new ATOM 0 HD13 LEU B 90 3.398 3.771 -6.389 1.00 2.02 H new ATOM 0 HD21 LEU B 90 3.149 2.075 -8.934 1.00 1.67 H new ATOM 0 HD22 LEU B 90 4.194 3.504 -8.744 1.00 1.67 H new ATOM 0 HD23 LEU B 90 4.891 1.955 -9.277 1.00 1.67 H new ATOM 1116 N ILE B 91 8.706 1.975 -5.970 1.00 0.47 N ATOM 1117 CA ILE B 91 10.050 2.476 -5.570 1.00 0.57 C ATOM 1118 C ILE B 91 11.098 1.983 -6.565 1.00 0.65 C ATOM 1119 O ILE B 91 11.912 2.745 -7.041 1.00 0.77 O ATOM 1120 CB ILE B 91 10.394 1.964 -4.170 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.375 2.508 -3.165 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.794 2.439 -3.783 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.726 2.011 -1.762 1.00 0.54 C ATOM 0 H ILE B 91 8.216 1.424 -5.265 1.00 0.47 H new ATOM 0 HA ILE B 91 10.041 3.566 -5.564 1.00 0.57 H new ATOM 0 HB ILE B 91 10.366 0.874 -4.164 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.374 3.598 -3.186 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.371 2.183 -3.437 1.00 0.51 H new ATOM 0 HG21 ILE B 91 12.039 2.074 -2.786 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.520 2.053 -4.499 1.00 0.66 H new ATOM 0 HG23 ILE B 91 11.823 3.529 -3.788 1.00 0.66 H new ATOM 0 HD11 ILE B 91 9.000 2.398 -1.047 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.705 0.921 -1.746 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.723 2.359 -1.492 1.00 0.54 H new ATOM 1135 N SER B 92 11.086 0.723 -6.900 1.00 0.63 N ATOM 1136 CA SER B 92 12.096 0.234 -7.876 1.00 0.76 C ATOM 1137 C SER B 92 11.958 1.044 -9.165 1.00 0.83 C ATOM 1138 O SER B 92 12.927 1.539 -9.708 1.00 0.95 O ATOM 1139 CB SER B 92 11.854 -1.248 -8.170 1.00 0.74 C ATOM 1140 OG SER B 92 13.032 -1.984 -7.871 1.00 1.53 O ATOM 0 H SER B 92 10.433 0.023 -6.548 1.00 0.63 H new ATOM 0 HA SER B 92 13.099 0.353 -7.466 1.00 0.76 H new ATOM 0 HB2 SER B 92 11.019 -1.617 -7.574 1.00 0.74 H new ATOM 0 HB3 SER B 92 11.583 -1.383 -9.217 1.00 0.74 H new ATOM 0 HG SER B 92 12.880 -2.934 -8.057 1.00 1.53 H new ATOM 1146 N TYR B 93 10.755 1.198 -9.649 1.00 0.77 N ATOM 1147 CA TYR B 93 10.547 1.993 -10.891 1.00 0.87 C ATOM 1148 C TYR B 93 11.088 3.414 -10.697 1.00 0.94 C ATOM 1149 O TYR B 93 11.798 3.936 -11.534 1.00 1.07 O ATOM 1150 CB TYR B 93 9.053 2.057 -11.217 1.00 0.83 C ATOM 1151 CG TYR B 93 8.840 1.681 -12.664 1.00 1.09 C ATOM 1152 CD1 TYR B 93 9.792 2.038 -13.626 1.00 1.68 C ATOM 1153 CD2 TYR B 93 7.693 0.973 -13.043 1.00 1.74 C ATOM 1154 CE1 TYR B 93 9.597 1.689 -14.967 1.00 2.03 C ATOM 1155 CE2 TYR B 93 7.498 0.623 -14.385 1.00 1.99 C ATOM 1156 CZ TYR B 93 8.451 0.981 -15.346 1.00 1.84 C ATOM 1157 OH TYR B 93 8.260 0.636 -16.669 1.00 2.25 O ATOM 0 H TYR B 93 9.908 0.807 -9.237 1.00 0.77 H new ATOM 0 HA TYR B 93 11.079 1.514 -11.713 1.00 0.87 H new ATOM 0 HB2 TYR B 93 8.498 1.379 -10.568 1.00 0.83 H new ATOM 0 HB3 TYR B 93 8.671 3.061 -11.030 1.00 0.83 H new ATOM 0 HD1 TYR B 93 10.677 2.583 -13.333 1.00 1.68 H new ATOM 0 HD2 TYR B 93 6.959 0.697 -12.301 1.00 1.74 H new ATOM 0 HE1 TYR B 93 10.331 1.966 -15.709 1.00 2.03 H new ATOM 0 HE2 TYR B 93 6.613 0.077 -14.678 1.00 1.99 H new ATOM 0 HH TYR B 93 7.416 0.147 -16.761 1.00 2.25 H new ATOM 1167 N GLY B 94 10.754 4.047 -9.600 1.00 0.88 N ATOM 1168 CA GLY B 94 11.245 5.434 -9.362 1.00 0.98 C ATOM 1169 C GLY B 94 12.770 5.452 -9.401 1.00 1.10 C ATOM 1170 O GLY B 94 13.373 6.281 -10.055 1.00 1.24 O ATOM 0 H GLY B 94 10.164 3.662 -8.862 1.00 0.88 H new ATOM 0 HA2 GLY B 94 10.844 6.107 -10.120 1.00 0.98 H new ATOM 0 HA3 GLY B 94 10.892 5.795 -8.396 1.00 0.98 H new ATOM 1174 N ILE B 95 13.404 4.540 -8.716 1.00 1.07 N ATOM 1175 CA ILE B 95 14.895 4.513 -8.736 1.00 1.22 C ATOM 1176 C ILE B 95 15.365 4.379 -10.189 1.00 1.34 C ATOM 1177 O ILE B 95 16.239 5.095 -10.638 1.00 1.50 O ATOM 1178 CB ILE B 95 15.406 3.327 -7.896 1.00 1.20 C ATOM 1179 CG1 ILE B 95 15.498 3.738 -6.420 1.00 1.37 C ATOM 1180 CG2 ILE B 95 16.801 2.903 -8.374 1.00 1.50 C ATOM 1181 CD1 ILE B 95 14.260 4.545 -6.020 1.00 1.81 C ATOM 0 H ILE B 95 12.960 3.818 -8.148 1.00 1.07 H new ATOM 0 HA ILE B 95 15.292 5.434 -8.309 1.00 1.22 H new ATOM 0 HB ILE B 95 14.710 2.496 -8.010 1.00 1.20 H new ATOM 0 HG12 ILE B 95 15.582 2.851 -5.792 1.00 1.37 H new ATOM 0 HG13 ILE B 95 16.397 4.331 -6.255 1.00 1.37 H new ATOM 0 HG21 ILE B 95 17.152 2.064 -7.773 1.00 1.50 H new ATOM 0 HG22 ILE B 95 16.752 2.604 -9.421 1.00 1.50 H new ATOM 0 HG23 ILE B 95 17.492 3.739 -8.268 1.00 1.50 H new ATOM 0 HD11 ILE B 95 14.336 4.831 -4.971 1.00 1.81 H new ATOM 0 HD12 ILE B 95 14.195 5.441 -6.637 1.00 1.81 H new ATOM 0 HD13 ILE B 95 13.367 3.938 -6.167 1.00 1.81 H new ATOM 1193 N ARG B 96 14.788 3.468 -10.926 1.00 1.29 N ATOM 1194 CA ARG B 96 15.197 3.290 -12.348 1.00 1.42 C ATOM 1195 C ARG B 96 15.022 4.609 -13.100 1.00 1.52 C ATOM 1196 O ARG B 96 15.894 5.047 -13.823 1.00 1.68 O ATOM 1197 CB ARG B 96 14.322 2.217 -13.000 1.00 1.36 C ATOM 1198 CG ARG B 96 14.671 0.847 -12.416 1.00 1.61 C ATOM 1199 CD ARG B 96 14.424 -0.233 -13.471 1.00 1.77 C ATOM 1200 NE ARG B 96 13.002 -0.675 -13.411 1.00 1.70 N ATOM 1201 CZ ARG B 96 12.487 -1.348 -14.402 1.00 2.10 C ATOM 1202 NH1 ARG B 96 12.180 -0.738 -15.514 1.00 2.54 N ATOM 1203 NH2 ARG B 96 12.281 -2.631 -14.282 1.00 2.69 N ATOM 0 H ARG B 96 14.051 2.840 -10.604 1.00 1.29 H new ATOM 0 HA ARG B 96 16.242 2.984 -12.387 1.00 1.42 H new ATOM 0 HB2 ARG B 96 13.269 2.439 -12.829 1.00 1.36 H new ATOM 0 HB3 ARG B 96 14.476 2.214 -14.079 1.00 1.36 H new ATOM 0 HG2 ARG B 96 15.714 0.829 -12.099 1.00 1.61 H new ATOM 0 HG3 ARG B 96 14.065 0.652 -11.531 1.00 1.61 H new ATOM 0 HD2 ARG B 96 14.653 0.155 -14.464 1.00 1.77 H new ATOM 0 HD3 ARG B 96 15.087 -1.081 -13.300 1.00 1.77 H new ATOM 0 HE ARG B 96 12.432 -0.451 -12.595 1.00 1.70 H new ATOM 0 HH11 ARG B 96 12.343 0.265 -15.608 1.00 2.54 H new ATOM 0 HH12 ARG B 96 11.777 -1.264 -16.290 1.00 2.54 H new ATOM 0 HH21 ARG B 96 12.523 -3.107 -13.413 1.00 2.69 H new ATOM 0 HH22 ARG B 96 11.878 -3.158 -15.057 1.00 2.69 H new ATOM 1217 N ARG B 97 13.894 5.243 -12.938 1.00 1.43 N ATOM 1218 CA ARG B 97 13.654 6.532 -13.644 1.00 1.55 C ATOM 1219 C ARG B 97 14.745 7.539 -13.277 1.00 1.67 C ATOM 1220 O ARG B 97 15.307 8.197 -14.130 1.00 1.83 O ATOM 1221 CB ARG B 97 12.286 7.089 -13.241 1.00 1.45 C ATOM 1222 CG ARG B 97 12.047 8.420 -13.955 1.00 1.62 C ATOM 1223 CD ARG B 97 11.712 9.498 -12.922 1.00 1.72 C ATOM 1224 NE ARG B 97 10.310 9.318 -12.454 1.00 2.17 N ATOM 1225 CZ ARG B 97 9.904 9.913 -11.366 1.00 2.50 C ATOM 1226 NH1 ARG B 97 10.345 9.520 -10.202 1.00 3.17 N ATOM 1227 NH2 ARG B 97 9.056 10.902 -11.442 1.00 2.89 N ATOM 0 H ARG B 97 13.127 4.923 -12.346 1.00 1.43 H new ATOM 0 HA ARG B 97 13.675 6.360 -14.720 1.00 1.55 H new ATOM 0 HB2 ARG B 97 11.501 6.379 -13.501 1.00 1.45 H new ATOM 0 HB3 ARG B 97 12.243 7.231 -12.161 1.00 1.45 H new ATOM 0 HG2 ARG B 97 12.934 8.706 -14.521 1.00 1.62 H new ATOM 0 HG3 ARG B 97 11.231 8.320 -14.670 1.00 1.62 H new ATOM 0 HD2 ARG B 97 12.399 9.435 -12.078 1.00 1.72 H new ATOM 0 HD3 ARG B 97 11.836 10.488 -13.361 1.00 1.72 H new ATOM 0 HE ARG B 97 9.667 8.730 -12.984 1.00 2.17 H new ATOM 0 HH11 ARG B 97 11.008 8.747 -10.142 1.00 3.17 H new ATOM 0 HH12 ARG B 97 10.027 9.986 -9.352 1.00 3.17 H new ATOM 0 HH21 ARG B 97 8.711 11.209 -12.351 1.00 2.89 H new ATOM 0 HH22 ARG B 97 8.738 11.368 -10.592 1.00 2.89 H new ATOM 1241 N LEU B 98 15.047 7.669 -12.015 1.00 1.62 N ATOM 1242 CA LEU B 98 16.099 8.638 -11.599 1.00 1.76 C ATOM 1243 C LEU B 98 17.404 8.310 -12.322 1.00 1.92 C ATOM 1244 O LEU B 98 18.061 9.176 -12.864 1.00 2.09 O ATOM 1245 CB LEU B 98 16.316 8.540 -10.087 1.00 1.69 C ATOM 1246 CG LEU B 98 15.797 9.810 -9.413 1.00 1.72 C ATOM 1247 CD1 LEU B 98 14.789 9.437 -8.325 1.00 1.72 C ATOM 1248 CD2 LEU B 98 16.970 10.565 -8.782 1.00 2.01 C ATOM 0 H LEU B 98 14.611 7.147 -11.255 1.00 1.62 H new ATOM 0 HA LEU B 98 15.784 9.649 -11.855 1.00 1.76 H new ATOM 0 HB2 LEU B 98 15.797 7.667 -9.690 1.00 1.69 H new ATOM 0 HB3 LEU B 98 17.376 8.407 -9.869 1.00 1.69 H new ATOM 0 HG LEU B 98 15.311 10.443 -10.156 1.00 1.72 H new ATOM 0 HD11 LEU B 98 14.420 10.343 -7.845 1.00 1.72 H new ATOM 0 HD12 LEU B 98 13.954 8.897 -8.772 1.00 1.72 H new ATOM 0 HD13 LEU B 98 15.274 8.804 -7.581 1.00 1.72 H new ATOM 0 HD21 LEU B 98 16.603 11.471 -8.301 1.00 2.01 H new ATOM 0 HD22 LEU B 98 17.454 9.930 -8.040 1.00 2.01 H new ATOM 0 HD23 LEU B 98 17.690 10.832 -9.556 1.00 2.01 H new ATOM 1260 N ILE B 99 17.784 7.063 -12.333 1.00 1.89 N ATOM 1261 CA ILE B 99 19.046 6.675 -13.020 1.00 2.07 C ATOM 1262 C ILE B 99 18.857 6.778 -14.535 1.00 2.17 C ATOM 1263 O ILE B 99 19.775 7.091 -15.266 1.00 2.50 O ATOM 1264 CB ILE B 99 19.395 5.234 -12.653 1.00 2.14 C ATOM 1265 CG1 ILE B 99 18.216 4.327 -13.010 1.00 2.13 C ATOM 1266 CG2 ILE B 99 19.671 5.141 -11.151 1.00 2.25 C ATOM 1267 CD1 ILE B 99 18.630 2.864 -12.846 1.00 2.38 C ATOM 0 H ILE B 99 17.274 6.295 -11.895 1.00 1.89 H new ATOM 0 HA ILE B 99 19.850 7.341 -12.708 1.00 2.07 H new ATOM 0 HB ILE B 99 20.282 4.920 -13.203 1.00 2.14 H new ATOM 0 HG12 ILE B 99 17.365 4.549 -12.367 1.00 2.13 H new ATOM 0 HG13 ILE B 99 17.898 4.513 -14.036 1.00 2.13 H new ATOM 0 HG21 ILE B 99 19.920 4.112 -10.890 1.00 2.25 H new ATOM 0 HG22 ILE B 99 20.506 5.793 -10.893 1.00 2.25 H new ATOM 0 HG23 ILE B 99 18.784 5.451 -10.598 1.00 2.25 H new ATOM 0 HD11 ILE B 99 17.790 2.217 -13.100 1.00 2.38 H new ATOM 0 HD12 ILE B 99 19.468 2.647 -13.508 1.00 2.38 H new ATOM 0 HD13 ILE B 99 18.927 2.684 -11.813 1.00 2.38 H new ATOM 1279 N LYS B 100 17.671 6.515 -15.011 1.00 2.25 N ATOM 1280 CA LYS B 100 17.424 6.596 -16.480 1.00 2.60 C ATOM 1281 C LYS B 100 16.640 7.870 -16.797 1.00 2.97 C ATOM 1282 O LYS B 100 15.450 7.950 -16.569 1.00 3.27 O ATOM 1283 CB LYS B 100 16.622 5.374 -16.937 1.00 2.80 C ATOM 1284 CG LYS B 100 17.434 4.588 -17.967 1.00 3.38 C ATOM 1285 CD LYS B 100 16.679 4.555 -19.298 1.00 3.94 C ATOM 1286 CE LYS B 100 17.179 5.690 -20.194 1.00 4.56 C ATOM 1287 NZ LYS B 100 16.910 5.351 -21.620 1.00 5.22 N ATOM 0 H LYS B 100 16.863 6.248 -14.448 1.00 2.25 H new ATOM 0 HA LYS B 100 18.379 6.617 -17.005 1.00 2.60 H new ATOM 0 HB2 LYS B 100 16.387 4.740 -16.082 1.00 2.80 H new ATOM 0 HB3 LYS B 100 15.673 5.690 -17.370 1.00 2.80 H new ATOM 0 HG2 LYS B 100 18.412 5.050 -18.103 1.00 3.38 H new ATOM 0 HG3 LYS B 100 17.608 3.573 -17.610 1.00 3.38 H new ATOM 0 HD2 LYS B 100 16.830 3.594 -19.791 1.00 3.94 H new ATOM 0 HD3 LYS B 100 15.608 4.659 -19.124 1.00 3.94 H new ATOM 0 HE2 LYS B 100 16.680 6.623 -19.930 1.00 4.56 H new ATOM 0 HE3 LYS B 100 18.247 5.845 -20.041 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 17.249 6.122 -22.230 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 17.405 4.470 -21.867 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 15.887 5.224 -21.760 1.00 5.22 H new ATOM 1301 N LYS B 101 17.300 8.867 -17.325 1.00 3.27 N ATOM 1302 CA LYS B 101 16.595 10.137 -17.662 1.00 3.83 C ATOM 1303 C LYS B 101 17.602 11.149 -18.216 1.00 4.00 C ATOM 1304 O LYS B 101 18.751 11.094 -17.810 1.00 4.36 O ATOM 1305 CB LYS B 101 15.920 10.709 -16.405 1.00 4.43 C ATOM 1306 CG LYS B 101 16.952 11.425 -15.525 1.00 5.03 C ATOM 1307 CD LYS B 101 17.138 12.861 -16.021 1.00 5.77 C ATOM 1308 CE LYS B 101 16.664 13.837 -14.943 1.00 6.68 C ATOM 1309 NZ LYS B 101 17.360 15.144 -15.114 1.00 7.38 N ATOM 1310 OXT LYS B 101 17.206 11.960 -19.037 1.00 4.28 O ATOM 0 H LYS B 101 18.298 8.856 -17.537 1.00 3.27 H new ATOM 0 HA LYS B 101 15.832 9.937 -18.415 1.00 3.83 H new ATOM 0 HB2 LYS B 101 15.132 11.405 -16.692 1.00 4.43 H new ATOM 0 HB3 LYS B 101 15.446 9.906 -15.841 1.00 4.43 H new ATOM 0 HG2 LYS B 101 16.621 11.428 -14.487 1.00 5.03 H new ATOM 0 HG3 LYS B 101 17.903 10.893 -15.555 1.00 5.03 H new ATOM 0 HD2 LYS B 101 18.187 13.043 -16.256 1.00 5.77 H new ATOM 0 HD3 LYS B 101 16.574 13.016 -16.941 1.00 5.77 H new ATOM 0 HE2 LYS B 101 15.585 13.976 -15.012 1.00 6.68 H new ATOM 0 HE3 LYS B 101 16.870 13.430 -13.953 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 17.038 15.808 -14.381 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 18.387 15.004 -15.027 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 17.142 15.533 -16.053 1.00 7.38 H new TER 1324 LYS B 101