USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1046 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 29 ASN : amide:sc= 0 K(o=0,f=0.7) USER MOD Set 1.2: B 47 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.533 K(o=-0.53,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot -134:sc= -2.29! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.294 USER MOD Single : A 20 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.9!) USER MOD Single : A 23 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -130:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-6.78e-05 X(o=-6.8e-05,f=-0.42) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 40 SER OG : rot -48:sc= 0.284 USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.138 (180deg=-0.563) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -0.0419 (180deg=-0.344) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc=-0.00807 (180deg=-0.152) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -0.571 K(o=-0.57,f=-4.2!) USER MOD Single : B 18 THR OG1 : rot -129:sc= -2.66! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.305 USER MOD Single : B 20 GLN : amide:sc= -1.03 K(o=-1,f=-2.7!) USER MOD Single : B 23 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl -131:sc= -0.0554 (180deg=-0.986) USER MOD Single : B 28 SER OG : rot -130:sc= 0 USER MOD Single : B 31 GLN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : B 38 GLN : amide:sc= -0.0364 X(o=-0.036,f=0) USER MOD Single : B 40 SER OG : rot -47:sc= 0.316 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 167:sc= -0.0117 (180deg=-0.187) USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 170:sc=-0.00999 (180deg=-0.127) USER MOD Single : B 68 GLN : amide:sc=-0.00452 X(o=-0.0045,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.490 -18.892 15.136 1.00 0.81 N ATOM 2 CA LEU A 8 -8.078 -19.357 13.860 1.00 0.78 C ATOM 3 C LEU A 8 -9.540 -19.808 14.082 1.00 0.78 C ATOM 4 O LEU A 8 -9.840 -20.961 14.386 1.00 0.80 O ATOM 5 CB LEU A 8 -7.202 -20.479 13.276 1.00 0.80 C ATOM 6 CG LEU A 8 -7.585 -20.963 11.864 1.00 0.78 C ATOM 7 CD1 LEU A 8 -6.360 -21.599 11.208 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.681 -22.034 11.860 1.00 0.78 C ATOM 0 HA LEU A 8 -8.102 -18.541 13.137 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -6.169 -20.133 13.253 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -7.237 -21.332 13.954 1.00 0.80 H new ATOM 0 HG LEU A 8 -7.952 -20.085 11.333 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.621 -21.945 10.208 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.560 -20.862 11.140 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -6.024 -22.445 11.808 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.899 -22.327 10.833 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -8.341 -22.904 12.421 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.583 -21.633 12.323 1.00 0.78 H new ATOM 20 N ARG A 9 -10.393 -18.801 14.153 1.00 0.76 N ATOM 21 CA ARG A 9 -11.837 -19.027 14.365 1.00 0.76 C ATOM 22 C ARG A 9 -12.678 -18.230 13.370 1.00 0.72 C ATOM 23 O ARG A 9 -13.343 -18.800 12.510 1.00 0.71 O ATOM 24 CB ARG A 9 -12.243 -18.789 15.832 1.00 0.79 C ATOM 25 CG ARG A 9 -11.922 -17.386 16.354 1.00 0.78 C ATOM 26 CD ARG A 9 -12.533 -17.141 17.730 1.00 0.82 C ATOM 27 NE ARG A 9 -12.268 -15.748 18.140 1.00 0.81 N ATOM 28 CZ ARG A 9 -11.110 -15.248 18.579 1.00 0.83 C ATOM 29 NH1 ARG A 9 -10.021 -16.000 18.688 1.00 0.84 N ATOM 30 NH2 ARG A 9 -11.043 -13.980 18.964 1.00 0.83 N ATOM 0 H ARG A 9 -10.126 -17.820 14.069 1.00 0.76 H new ATOM 0 HA ARG A 9 -12.044 -20.078 14.166 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -13.314 -18.966 15.934 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.738 -19.522 16.460 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -10.841 -17.257 16.408 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -12.298 -16.642 15.652 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.607 -17.326 17.702 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -12.109 -17.833 18.457 1.00 0.82 H new ATOM 0 HE ARG A 9 -13.052 -15.098 18.082 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -10.055 -16.987 18.433 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -9.150 -15.591 19.026 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -11.874 -13.390 18.924 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -10.160 -13.595 19.300 1.00 0.83 H new ATOM 44 N GLU A 10 -12.597 -16.900 13.481 1.00 0.70 N ATOM 45 CA GLU A 10 -13.424 -15.962 12.715 1.00 0.67 C ATOM 46 C GLU A 10 -12.692 -14.632 12.532 1.00 0.65 C ATOM 47 O GLU A 10 -12.302 -13.983 13.504 1.00 0.67 O ATOM 48 CB GLU A 10 -14.740 -15.696 13.453 1.00 0.69 C ATOM 49 CG GLU A 10 -15.624 -16.944 13.555 1.00 0.71 C ATOM 50 CD GLU A 10 -16.969 -16.686 14.234 1.00 0.73 C ATOM 51 OE1 GLU A 10 -17.451 -15.533 14.153 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.500 -17.660 14.807 1.00 0.76 O ATOM 0 H GLU A 10 -11.945 -16.438 14.115 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.626 -16.407 11.741 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.522 -15.328 14.455 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -15.289 -14.908 12.936 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.801 -17.337 12.554 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -15.088 -17.715 14.109 1.00 0.71 H new ATOM 59 N LEU A 11 -12.394 -14.355 11.276 1.00 0.62 N ATOM 60 CA LEU A 11 -11.710 -13.113 10.874 1.00 0.60 C ATOM 61 C LEU A 11 -12.516 -12.391 9.793 1.00 0.57 C ATOM 62 O LEU A 11 -13.065 -13.016 8.884 1.00 0.56 O ATOM 63 CB LEU A 11 -10.314 -13.449 10.353 1.00 0.60 C ATOM 64 CG LEU A 11 -9.442 -14.064 11.449 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.886 -15.407 10.979 1.00 0.65 C ATOM 66 CD2 LEU A 11 -8.319 -13.103 11.836 1.00 0.64 C ATOM 0 H LEU A 11 -12.614 -14.976 10.497 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.624 -12.454 11.738 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -10.394 -14.144 9.517 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.839 -12.545 9.972 1.00 0.60 H new ATOM 0 HG LEU A 11 -10.051 -14.239 12.336 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -8.266 -15.839 11.765 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.711 -16.084 10.754 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -8.284 -15.258 10.083 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.707 -13.554 12.617 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.700 -12.897 10.963 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.748 -12.171 12.205 1.00 0.64 H new ATOM 78 N ARG A 12 -12.546 -11.080 9.931 1.00 0.56 N ATOM 79 CA ARG A 12 -13.336 -10.204 9.045 1.00 0.54 C ATOM 80 C ARG A 12 -12.379 -9.481 8.105 1.00 0.51 C ATOM 81 O ARG A 12 -11.254 -9.149 8.488 1.00 0.51 O ATOM 82 CB ARG A 12 -14.101 -9.167 9.889 1.00 0.55 C ATOM 83 CG ARG A 12 -14.795 -9.730 11.139 1.00 0.59 C ATOM 84 CD ARG A 12 -15.653 -10.948 10.796 1.00 0.59 C ATOM 85 NE ARG A 12 -16.425 -11.406 11.951 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.737 -11.228 12.013 1.00 0.65 C ATOM 87 NH1 ARG A 12 -18.241 -10.065 12.399 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.541 -12.249 11.780 1.00 0.66 N ATOM 0 H ARG A 12 -12.030 -10.579 10.654 1.00 0.56 H new ATOM 0 HA ARG A 12 -14.051 -10.798 8.475 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -13.404 -8.388 10.199 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.852 -8.691 9.259 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -14.045 -10.007 11.880 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -15.419 -8.958 11.590 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -16.331 -10.698 9.980 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -15.013 -11.756 10.442 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.945 -11.870 12.722 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.618 -9.298 12.651 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -19.252 -9.937 12.444 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -18.151 -13.164 11.555 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.552 -12.123 11.825 1.00 0.66 H new ATOM 102 N CYS A 13 -12.839 -9.230 6.882 1.00 0.49 N ATOM 103 CA CYS A 13 -12.081 -8.408 5.923 1.00 0.47 C ATOM 104 C CYS A 13 -11.753 -7.042 6.550 1.00 0.47 C ATOM 105 O CYS A 13 -12.488 -6.552 7.408 1.00 0.48 O ATOM 106 CB CYS A 13 -12.916 -8.204 4.659 1.00 0.47 C ATOM 107 SG CYS A 13 -12.987 -9.663 3.554 1.00 0.48 S ATOM 0 H CYS A 13 -13.729 -9.579 6.526 1.00 0.49 H new ATOM 0 HA CYS A 13 -11.151 -8.916 5.669 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.931 -7.934 4.949 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.508 -7.361 4.101 1.00 0.47 H new ATOM 112 N VAL A 14 -10.640 -6.456 6.114 1.00 0.45 N ATOM 113 CA VAL A 14 -10.231 -5.113 6.598 1.00 0.45 C ATOM 114 C VAL A 14 -11.298 -4.043 6.275 1.00 0.44 C ATOM 115 O VAL A 14 -11.468 -3.064 6.995 1.00 0.45 O ATOM 116 CB VAL A 14 -8.813 -4.740 6.100 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.676 -4.561 4.586 1.00 0.43 C ATOM 118 CG2 VAL A 14 -8.279 -3.483 6.792 1.00 0.45 C ATOM 0 H VAL A 14 -10.003 -6.873 5.435 1.00 0.45 H new ATOM 0 HA VAL A 14 -10.167 -5.150 7.686 1.00 0.45 H new ATOM 0 HB VAL A 14 -8.216 -5.611 6.369 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.646 -4.301 4.342 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.945 -5.490 4.084 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -9.340 -3.763 4.252 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -7.282 -3.256 6.415 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.945 -2.644 6.587 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -8.230 -3.653 7.868 1.00 0.45 H new ATOM 128 N CYS A 15 -11.993 -4.272 5.165 1.00 0.44 N ATOM 129 CA CYS A 15 -13.075 -3.414 4.660 1.00 0.44 C ATOM 130 C CYS A 15 -14.395 -4.174 4.586 1.00 0.46 C ATOM 131 O CYS A 15 -14.572 -5.054 3.744 1.00 0.46 O ATOM 132 CB CYS A 15 -12.736 -2.928 3.255 1.00 0.43 C ATOM 133 SG CYS A 15 -11.440 -1.657 3.244 1.00 0.42 S ATOM 0 H CYS A 15 -11.819 -5.082 4.570 1.00 0.44 H new ATOM 0 HA CYS A 15 -13.177 -2.575 5.349 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.413 -3.775 2.651 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.635 -2.527 2.787 1.00 0.43 H new ATOM 138 N LEU A 16 -15.258 -3.875 5.547 1.00 0.48 N ATOM 139 CA LEU A 16 -16.623 -4.440 5.563 1.00 0.51 C ATOM 140 C LEU A 16 -17.613 -3.682 4.665 1.00 0.53 C ATOM 141 O LEU A 16 -18.507 -4.281 4.058 1.00 0.55 O ATOM 142 CB LEU A 16 -17.150 -4.536 6.998 1.00 0.54 C ATOM 143 CG LEU A 16 -16.356 -5.534 7.854 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.892 -5.519 9.286 1.00 0.57 C ATOM 145 CD2 LEU A 16 -16.425 -6.959 7.289 1.00 0.53 C ATOM 0 H LEU A 16 -15.050 -3.250 6.326 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.544 -5.442 5.142 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -17.109 -3.551 7.463 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -18.198 -4.835 6.977 1.00 0.54 H new ATOM 0 HG LEU A 16 -15.311 -5.226 7.841 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -16.328 -6.227 9.893 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.786 -4.518 9.704 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.945 -5.801 9.283 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.850 -7.631 7.926 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.464 -7.288 7.258 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -16.011 -6.971 6.281 1.00 0.53 H new ATOM 157 N GLN A 17 -17.418 -2.386 4.568 1.00 0.53 N ATOM 158 CA GLN A 17 -18.255 -1.467 3.783 1.00 0.55 C ATOM 159 C GLN A 17 -17.460 -0.926 2.581 1.00 0.53 C ATOM 160 O GLN A 17 -16.287 -1.239 2.384 1.00 0.50 O ATOM 161 CB GLN A 17 -18.781 -0.326 4.676 1.00 0.57 C ATOM 162 CG GLN A 17 -17.733 0.694 5.157 1.00 0.56 C ATOM 163 CD GLN A 17 -16.731 0.165 6.194 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.778 -0.927 6.734 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.769 0.988 6.525 1.00 0.53 N ATOM 0 H GLN A 17 -16.650 -1.914 5.045 1.00 0.53 H new ATOM 0 HA GLN A 17 -19.119 -2.008 3.397 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.555 0.210 4.127 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -19.258 -0.767 5.551 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -17.178 1.056 4.291 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -18.253 1.552 5.583 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.710 1.907 6.086 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -15.078 0.711 7.222 1.00 0.53 H new ATOM 174 N THR A 18 -18.136 -0.069 1.838 1.00 0.56 N ATOM 175 CA THR A 18 -17.569 0.598 0.654 1.00 0.55 C ATOM 176 C THR A 18 -17.772 2.121 0.717 1.00 0.57 C ATOM 177 O THR A 18 -18.290 2.662 1.698 1.00 0.58 O ATOM 178 CB THR A 18 -18.189 -0.050 -0.596 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.540 0.477 -1.749 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.709 0.141 -0.708 1.00 0.62 C ATOM 0 H THR A 18 -19.103 0.194 2.031 1.00 0.56 H new ATOM 0 HA THR A 18 -16.488 0.461 0.616 1.00 0.55 H new ATOM 0 HB THR A 18 -18.035 -1.126 -0.514 1.00 0.57 H new ATOM 0 HG1 THR A 18 -18.212 0.720 -2.420 1.00 0.57 H new ATOM 0 HG21 THR A 18 -20.071 -0.344 -1.615 1.00 0.62 H new ATOM 0 HG22 THR A 18 -20.196 -0.303 0.160 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.940 1.205 -0.749 1.00 0.62 H new ATOM 188 N THR A 19 -17.449 2.793 -0.382 1.00 0.57 N ATOM 189 CA THR A 19 -17.557 4.248 -0.565 1.00 0.59 C ATOM 190 C THR A 19 -17.635 4.592 -2.063 1.00 0.61 C ATOM 191 O THR A 19 -17.126 3.867 -2.928 1.00 0.60 O ATOM 192 CB THR A 19 -16.353 4.950 0.101 1.00 0.56 C ATOM 193 OG1 THR A 19 -16.312 4.620 1.494 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.384 6.477 -0.009 1.00 0.58 C ATOM 0 H THR A 19 -17.087 2.323 -1.212 1.00 0.57 H new ATOM 0 HA THR A 19 -18.471 4.603 -0.089 1.00 0.59 H new ATOM 0 HB THR A 19 -15.473 4.594 -0.435 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.739 3.836 1.628 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.506 6.895 0.483 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.384 6.766 -1.060 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.285 6.858 0.472 1.00 0.58 H new ATOM 202 N GLN A 20 -18.286 5.716 -2.318 1.00 0.65 N ATOM 203 CA GLN A 20 -18.462 6.316 -3.646 1.00 0.68 C ATOM 204 C GLN A 20 -18.041 7.789 -3.672 1.00 0.68 C ATOM 205 O GLN A 20 -18.841 8.724 -3.702 1.00 0.72 O ATOM 206 CB GLN A 20 -19.895 6.102 -4.169 1.00 0.72 C ATOM 207 CG GLN A 20 -21.039 6.779 -3.404 1.00 0.75 C ATOM 208 CD GLN A 20 -21.258 6.286 -1.971 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.801 5.260 -1.493 1.00 0.71 O ATOM 210 NE2 GLN A 20 -22.052 7.028 -1.243 1.00 0.76 N ATOM 0 H GLN A 20 -18.727 6.264 -1.579 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.792 5.798 -4.332 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.931 6.448 -5.202 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -20.090 5.030 -4.185 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.848 7.852 -3.375 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.963 6.634 -3.964 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.442 7.888 -1.628 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -22.281 6.746 -0.290 1.00 0.76 H new ATOM 219 N GLY A 21 -16.722 7.961 -3.605 1.00 0.65 N ATOM 220 CA GLY A 21 -16.158 9.300 -3.743 1.00 0.65 C ATOM 221 C GLY A 21 -15.986 9.675 -5.231 1.00 0.68 C ATOM 222 O GLY A 21 -16.203 8.824 -6.085 1.00 0.69 O ATOM 0 H GLY A 21 -16.042 7.214 -3.460 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.809 10.025 -3.254 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -15.193 9.346 -3.238 1.00 0.65 H new ATOM 226 N VAL A 22 -15.442 10.825 -5.611 1.00 0.69 N ATOM 227 CA VAL A 22 -14.737 11.958 -4.940 1.00 0.68 C ATOM 228 C VAL A 22 -13.551 12.337 -5.855 1.00 0.67 C ATOM 229 O VAL A 22 -13.395 11.780 -6.938 1.00 0.68 O ATOM 230 CB VAL A 22 -14.268 11.714 -3.478 1.00 0.64 C ATOM 231 CG1 VAL A 22 -13.090 10.735 -3.326 1.00 0.60 C ATOM 232 CG2 VAL A 22 -14.067 13.008 -2.681 1.00 0.65 C ATOM 0 H VAL A 22 -15.489 11.041 -6.607 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.458 12.767 -4.818 1.00 0.68 H new ATOM 0 HB VAL A 22 -15.112 11.196 -3.022 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.837 10.631 -2.271 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.371 9.762 -3.729 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -12.226 11.118 -3.870 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.740 12.765 -1.670 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -13.311 13.622 -3.170 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -15.007 13.557 -2.636 1.00 0.65 H new ATOM 242 N HIS A 23 -12.682 13.226 -5.392 1.00 0.66 N ATOM 243 CA HIS A 23 -11.464 13.581 -6.120 1.00 0.66 C ATOM 244 C HIS A 23 -10.219 13.200 -5.290 1.00 0.62 C ATOM 245 O HIS A 23 -10.222 13.390 -4.068 1.00 0.60 O ATOM 246 CB HIS A 23 -11.500 15.079 -6.449 1.00 0.69 C ATOM 247 CG HIS A 23 -10.409 15.468 -7.452 1.00 0.70 C ATOM 248 ND1 HIS A 23 -9.126 15.645 -7.155 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.562 15.720 -8.748 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.485 16.024 -8.256 1.00 0.70 C ATOM 251 NE2 HIS A 23 -9.375 16.070 -9.243 1.00 0.73 N ATOM 0 H HIS A 23 -12.797 13.720 -4.507 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.407 13.026 -7.056 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.477 15.338 -6.856 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.373 15.655 -5.533 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.486 15.653 -9.303 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.432 16.253 -8.335 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -9.183 16.328 -10.211 1.00 0.73 H new ATOM 259 N PRO A 24 -9.156 12.739 -5.973 1.00 0.61 N ATOM 260 CA PRO A 24 -7.837 12.440 -5.379 1.00 0.58 C ATOM 261 C PRO A 24 -7.288 13.595 -4.544 1.00 0.58 C ATOM 262 O PRO A 24 -6.444 13.366 -3.690 1.00 0.56 O ATOM 263 CB PRO A 24 -6.888 12.293 -6.561 1.00 0.60 C ATOM 264 CG PRO A 24 -7.783 11.773 -7.674 1.00 0.62 C ATOM 265 CD PRO A 24 -9.125 12.447 -7.422 1.00 0.64 C ATOM 0 HA PRO A 24 -7.928 11.564 -4.737 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.429 13.245 -6.827 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -6.077 11.598 -6.341 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.387 12.030 -8.656 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.870 10.687 -7.640 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -9.221 13.361 -8.008 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.951 11.796 -7.709 1.00 0.64 H new ATOM 273 N LYS A 25 -7.770 14.811 -4.799 1.00 0.61 N ATOM 274 CA LYS A 25 -7.365 16.035 -4.093 1.00 0.61 C ATOM 275 C LYS A 25 -7.457 15.892 -2.563 1.00 0.59 C ATOM 276 O LYS A 25 -6.673 16.485 -1.835 1.00 0.59 O ATOM 277 CB LYS A 25 -8.259 17.182 -4.556 1.00 0.65 C ATOM 278 CG LYS A 25 -7.443 18.469 -4.672 1.00 0.67 C ATOM 279 CD LYS A 25 -8.277 19.658 -5.159 1.00 0.70 C ATOM 280 CE LYS A 25 -9.276 20.128 -4.100 1.00 0.71 C ATOM 281 NZ LYS A 25 -9.166 21.581 -3.925 1.00 0.74 N ATOM 0 H LYS A 25 -8.471 14.981 -5.520 1.00 0.61 H new ATOM 0 HA LYS A 25 -6.320 16.232 -4.332 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.707 16.938 -5.519 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -9.077 17.323 -3.850 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -7.010 18.708 -3.701 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.613 18.307 -5.360 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.614 20.482 -5.423 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.814 19.378 -6.065 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -10.290 19.864 -4.401 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -9.082 19.623 -3.154 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.846 21.896 -3.205 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -8.202 21.822 -3.619 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -9.372 22.056 -4.827 1.00 0.74 H new ATOM 295 N MET A 26 -8.382 15.040 -2.120 1.00 0.58 N ATOM 296 CA MET A 26 -8.558 14.706 -0.694 1.00 0.58 C ATOM 297 C MET A 26 -7.679 13.535 -0.224 1.00 0.54 C ATOM 298 O MET A 26 -7.456 13.345 0.973 1.00 0.54 O ATOM 299 CB MET A 26 -10.035 14.428 -0.404 1.00 0.59 C ATOM 300 CG MET A 26 -10.899 15.694 -0.510 1.00 0.67 C ATOM 301 SD MET A 26 -10.366 17.068 0.577 1.00 0.79 S ATOM 302 CE MET A 26 -10.854 18.497 -0.371 1.00 1.08 C ATOM 0 H MET A 26 -9.035 14.557 -2.737 1.00 0.58 H new ATOM 0 HA MET A 26 -8.226 15.573 -0.123 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.405 13.679 -1.103 1.00 0.59 H new ATOM 0 HB3 MET A 26 -10.133 14.007 0.596 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.889 16.040 -1.544 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.930 15.436 -0.270 1.00 0.67 H new ATOM 0 HE1 MET A 26 -10.589 19.403 0.174 1.00 1.08 H new ATOM 0 HE2 MET A 26 -10.341 18.488 -1.333 1.00 1.08 H new ATOM 0 HE3 MET A 26 -11.931 18.474 -0.535 1.00 1.08 H new ATOM 312 N ILE A 27 -7.200 12.737 -1.173 1.00 0.52 N ATOM 313 CA ILE A 27 -6.365 11.572 -0.864 1.00 0.50 C ATOM 314 C ILE A 27 -4.878 11.940 -0.839 1.00 0.51 C ATOM 315 O ILE A 27 -4.421 12.766 -1.630 1.00 0.58 O ATOM 316 CB ILE A 27 -6.595 10.442 -1.897 1.00 0.53 C ATOM 317 CG1 ILE A 27 -8.091 10.119 -2.026 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.809 9.191 -1.522 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.756 9.717 -0.723 1.00 0.57 C ATOM 0 H ILE A 27 -7.375 12.874 -2.169 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.655 11.222 0.126 1.00 0.50 H new ATOM 0 HB ILE A 27 -6.234 10.793 -2.864 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.606 10.991 -2.430 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -8.216 9.312 -2.748 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.988 8.413 -2.264 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.745 9.425 -1.492 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.131 8.839 -0.542 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.810 9.506 -0.902 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.270 8.826 -0.326 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.666 10.530 -0.003 1.00 0.57 H new ATOM 331 N SER A 28 -4.130 11.322 0.078 1.00 0.49 N ATOM 332 CA SER A 28 -2.701 11.581 0.205 1.00 0.54 C ATOM 333 C SER A 28 -1.919 10.288 0.456 1.00 0.55 C ATOM 334 O SER A 28 -0.723 10.213 0.179 1.00 0.69 O ATOM 335 CB SER A 28 -2.443 12.569 1.344 1.00 0.61 C ATOM 336 OG SER A 28 -3.097 13.804 1.109 1.00 0.69 O ATOM 0 H SER A 28 -4.494 10.639 0.742 1.00 0.49 H new ATOM 0 HA SER A 28 -2.356 12.011 -0.735 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.792 12.143 2.285 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.371 12.736 1.448 1.00 0.61 H new ATOM 0 HG SER A 28 -2.461 14.539 1.231 1.00 0.69 H new ATOM 342 N ASN A 29 -2.599 9.272 0.982 1.00 0.51 N ATOM 343 CA ASN A 29 -1.964 7.988 1.276 1.00 0.51 C ATOM 344 C ASN A 29 -2.773 6.833 0.690 1.00 0.50 C ATOM 345 O ASN A 29 -4.004 6.866 0.685 1.00 0.51 O ATOM 346 CB ASN A 29 -1.826 7.813 2.794 1.00 0.54 C ATOM 347 CG ASN A 29 -1.124 6.525 3.184 1.00 0.57 C ATOM 348 OD1 ASN A 29 -0.219 6.061 2.491 1.00 0.64 O ATOM 349 ND2 ASN A 29 -1.545 5.938 4.298 1.00 0.78 N ATOM 0 H ASN A 29 -3.591 9.312 1.214 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.975 7.979 0.818 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -1.273 8.659 3.202 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.817 7.831 3.247 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -1.115 5.067 4.610 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -2.299 6.358 4.842 1.00 0.78 H new ATOM 356 N LEU A 30 -2.071 5.816 0.197 1.00 0.54 N ATOM 357 CA LEU A 30 -2.711 4.645 -0.388 1.00 0.56 C ATOM 358 C LEU A 30 -2.140 3.362 0.214 1.00 0.57 C ATOM 359 O LEU A 30 -0.940 3.261 0.450 1.00 0.74 O ATOM 360 CB LEU A 30 -2.522 4.640 -1.909 1.00 0.60 C ATOM 361 CG LEU A 30 -3.076 3.411 -2.638 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.595 3.409 -2.617 1.00 0.69 C ATOM 363 CD2 LEU A 30 -2.565 3.368 -4.067 1.00 0.73 C ATOM 0 H LEU A 30 -1.052 5.781 0.192 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.777 4.690 -0.164 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -2.999 5.530 -2.320 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.457 4.720 -2.126 1.00 0.60 H new ATOM 0 HG LEU A 30 -2.728 2.520 -2.117 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -4.965 2.527 -3.140 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -4.945 3.392 -1.585 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -4.967 4.307 -3.111 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -2.968 2.489 -4.571 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -2.884 4.267 -4.595 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.476 3.317 -4.063 1.00 0.73 H new ATOM 375 N GLN A 31 -3.013 2.395 0.475 1.00 0.50 N ATOM 376 CA GLN A 31 -2.597 1.114 1.039 1.00 0.51 C ATOM 377 C GLN A 31 -3.249 -0.036 0.273 1.00 0.52 C ATOM 378 O GLN A 31 -4.455 -0.262 0.385 1.00 0.61 O ATOM 379 CB GLN A 31 -2.968 1.029 2.523 1.00 0.54 C ATOM 380 CG GLN A 31 -2.270 2.063 3.396 1.00 0.61 C ATOM 381 CD GLN A 31 -2.800 2.082 4.817 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.733 2.819 5.135 1.00 1.16 O ATOM 383 NE2 GLN A 31 -2.204 1.271 5.683 1.00 1.16 N ATOM 0 H GLN A 31 -4.016 2.473 0.305 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.514 1.035 0.947 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -4.046 1.151 2.625 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.724 0.033 2.892 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -1.200 1.855 3.414 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -2.395 3.051 2.953 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -1.434 0.676 5.378 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -2.516 1.243 6.654 1.00 1.16 H new ATOM 392 N VAL A 32 -2.447 -0.755 -0.508 1.00 0.49 N ATOM 393 CA VAL A 32 -2.949 -1.874 -1.303 1.00 0.51 C ATOM 394 C VAL A 32 -2.740 -3.206 -0.587 1.00 0.50 C ATOM 395 O VAL A 32 -1.635 -3.743 -0.560 1.00 0.61 O ATOM 396 CB VAL A 32 -2.272 -1.940 -2.690 1.00 0.56 C ATOM 397 CG1 VAL A 32 -2.978 -2.948 -3.586 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.248 -0.565 -3.343 1.00 0.59 C ATOM 0 H VAL A 32 -1.447 -0.583 -0.608 1.00 0.49 H new ATOM 0 HA VAL A 32 -4.017 -1.700 -1.437 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.242 -2.270 -2.551 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.485 -2.979 -4.558 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -2.936 -3.935 -3.126 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.019 -2.653 -3.716 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -1.767 -0.634 -4.319 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.269 -0.203 -3.466 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.691 0.128 -2.712 1.00 0.59 H new ATOM 408 N PHE A 33 -3.816 -3.731 -0.015 1.00 0.48 N ATOM 409 CA PHE A 33 -3.768 -5.002 0.701 1.00 0.49 C ATOM 410 C PHE A 33 -4.248 -6.142 -0.192 1.00 0.52 C ATOM 411 O PHE A 33 -5.357 -6.096 -0.729 1.00 0.57 O ATOM 412 CB PHE A 33 -4.633 -4.936 1.964 1.00 0.52 C ATOM 413 CG PHE A 33 -4.135 -3.956 2.991 1.00 0.53 C ATOM 414 CD1 PHE A 33 -2.925 -4.163 3.632 1.00 0.63 C ATOM 415 CD2 PHE A 33 -4.880 -2.834 3.319 1.00 0.60 C ATOM 416 CE1 PHE A 33 -2.464 -3.270 4.580 1.00 0.73 C ATOM 417 CE2 PHE A 33 -4.425 -1.937 4.267 1.00 0.68 C ATOM 418 CZ PHE A 33 -3.215 -2.154 4.898 1.00 0.72 C ATOM 0 H PHE A 33 -4.738 -3.295 -0.033 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.733 -5.191 0.986 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.651 -4.667 1.682 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.679 -5.928 2.414 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -2.334 -5.034 3.388 1.00 0.63 H new ATOM 0 HD2 PHE A 33 -5.826 -2.659 2.829 1.00 0.60 H new ATOM 0 HE1 PHE A 33 -1.518 -3.444 5.072 1.00 0.73 H new ATOM 0 HE2 PHE A 33 -5.015 -1.067 4.514 1.00 0.68 H new ATOM 0 HZ PHE A 33 -2.857 -1.453 5.638 1.00 0.72 H new ATOM 428 N ALA A 34 -3.411 -7.167 -0.351 1.00 0.53 N ATOM 429 CA ALA A 34 -3.759 -8.315 -1.183 1.00 0.58 C ATOM 430 C ALA A 34 -4.528 -9.376 -0.392 1.00 0.58 C ATOM 431 O ALA A 34 -5.138 -9.081 0.637 1.00 0.62 O ATOM 432 CB ALA A 34 -2.505 -8.915 -1.803 1.00 0.66 C ATOM 0 H ALA A 34 -2.490 -7.225 0.084 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.415 -7.962 -1.979 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.778 -9.770 -2.421 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -2.009 -8.165 -2.420 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.828 -9.240 -1.013 1.00 0.66 H new ATOM 438 N ILE A 35 -4.502 -10.612 -0.892 1.00 0.63 N ATOM 439 CA ILE A 35 -5.193 -11.727 -0.251 1.00 0.65 C ATOM 440 C ILE A 35 -4.488 -12.153 1.037 1.00 0.62 C ATOM 441 O ILE A 35 -3.294 -12.460 1.035 1.00 0.68 O ATOM 442 CB ILE A 35 -5.301 -12.933 -1.213 1.00 0.77 C ATOM 443 CG1 ILE A 35 -6.228 -12.589 -2.382 1.00 0.91 C ATOM 444 CG2 ILE A 35 -5.790 -14.178 -0.480 1.00 0.80 C ATOM 445 CD1 ILE A 35 -6.315 -13.679 -3.430 1.00 1.14 C ATOM 0 H ILE A 35 -4.005 -10.865 -1.746 1.00 0.63 H new ATOM 0 HA ILE A 35 -6.196 -11.385 0.003 1.00 0.65 H new ATOM 0 HB ILE A 35 -4.308 -13.151 -1.606 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -7.227 -12.388 -1.995 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.878 -11.671 -2.854 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -5.856 -15.010 -1.181 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -5.090 -14.430 0.317 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -6.773 -13.985 -0.051 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -6.989 -13.365 -4.227 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -5.324 -13.865 -3.845 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -6.694 -14.593 -2.973 1.00 1.14 H new ATOM 457 N GLY A 36 -5.240 -12.159 2.134 1.00 0.61 N ATOM 458 CA GLY A 36 -4.691 -12.549 3.419 1.00 0.63 C ATOM 459 C GLY A 36 -5.507 -13.643 4.084 1.00 0.65 C ATOM 460 O GLY A 36 -6.364 -14.253 3.444 1.00 0.66 O ATOM 0 H GLY A 36 -6.226 -11.899 2.154 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.666 -12.894 3.284 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.651 -11.679 4.074 1.00 0.63 H new ATOM 464 N PRO A 37 -5.258 -13.917 5.379 1.00 0.69 N ATOM 465 CA PRO A 37 -5.975 -14.951 6.135 1.00 0.74 C ATOM 466 C PRO A 37 -7.362 -14.501 6.597 1.00 0.72 C ATOM 467 O PRO A 37 -8.129 -15.292 7.147 1.00 0.77 O ATOM 468 CB PRO A 37 -5.071 -15.201 7.355 1.00 0.81 C ATOM 469 CG PRO A 37 -3.846 -14.366 7.148 1.00 0.79 C ATOM 470 CD PRO A 37 -4.242 -13.264 6.211 1.00 0.71 C ATOM 0 HA PRO A 37 -6.154 -15.835 5.522 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.579 -14.924 8.279 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.813 -16.257 7.438 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.487 -13.962 8.094 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -3.036 -14.962 6.728 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.644 -12.402 6.743 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.398 -12.909 5.620 1.00 0.71 H new ATOM 478 N GLN A 38 -7.679 -13.230 6.374 1.00 0.66 N ATOM 479 CA GLN A 38 -8.980 -12.677 6.780 1.00 0.65 C ATOM 480 C GLN A 38 -9.870 -12.291 5.587 1.00 0.61 C ATOM 481 O GLN A 38 -11.078 -12.126 5.731 1.00 0.62 O ATOM 482 CB GLN A 38 -8.747 -11.474 7.700 1.00 0.65 C ATOM 483 CG GLN A 38 -8.012 -10.308 7.028 1.00 0.60 C ATOM 484 CD GLN A 38 -7.823 -9.160 8.015 1.00 0.63 C ATOM 485 OE1 GLN A 38 -7.166 -9.269 9.035 1.00 0.73 O ATOM 486 NE2 GLN A 38 -8.364 -8.016 7.671 1.00 0.61 N ATOM 0 H GLN A 38 -7.060 -12.560 5.917 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.521 -13.458 7.314 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.710 -11.119 8.068 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -8.174 -11.799 8.568 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -7.042 -10.644 6.661 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.578 -9.963 6.163 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.910 -7.948 6.812 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -8.238 -7.194 8.262 1.00 0.61 H new ATOM 495 N CYS A 39 -9.242 -12.074 4.434 1.00 0.57 N ATOM 496 CA CYS A 39 -9.960 -11.658 3.234 1.00 0.55 C ATOM 497 C CYS A 39 -9.283 -12.208 1.984 1.00 0.61 C ATOM 498 O CYS A 39 -8.074 -12.058 1.809 1.00 0.71 O ATOM 499 CB CYS A 39 -10.004 -10.125 3.173 1.00 0.49 C ATOM 500 SG CYS A 39 -11.428 -9.431 2.272 1.00 0.47 S ATOM 0 H CYS A 39 -8.236 -12.180 4.306 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.975 -12.053 3.276 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -10.013 -9.736 4.191 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -9.087 -9.769 2.703 1.00 0.49 H new ATOM 505 N SER A 40 -10.062 -12.839 1.117 1.00 0.67 N ATOM 506 CA SER A 40 -9.524 -13.409 -0.115 1.00 0.78 C ATOM 507 C SER A 40 -9.795 -12.489 -1.304 1.00 0.74 C ATOM 508 O SER A 40 -9.860 -12.937 -2.450 1.00 0.97 O ATOM 509 CB SER A 40 -10.132 -14.792 -0.361 1.00 0.92 C ATOM 510 OG SER A 40 -9.402 -15.504 -1.345 1.00 1.07 O ATOM 0 H SER A 40 -11.066 -12.970 1.241 1.00 0.67 H new ATOM 0 HA SER A 40 -8.444 -13.511 -0.006 1.00 0.78 H new ATOM 0 HB2 SER A 40 -10.142 -15.359 0.570 1.00 0.92 H new ATOM 0 HB3 SER A 40 -11.169 -14.685 -0.680 1.00 0.92 H new ATOM 0 HG SER A 40 -9.258 -14.929 -2.125 1.00 1.07 H new ATOM 516 N LYS A 41 -9.940 -11.195 -1.028 1.00 0.72 N ATOM 517 CA LYS A 41 -10.211 -10.212 -2.071 1.00 0.69 C ATOM 518 C LYS A 41 -9.250 -9.028 -1.977 1.00 0.68 C ATOM 519 O LYS A 41 -8.693 -8.752 -0.914 1.00 0.70 O ATOM 520 CB LYS A 41 -11.654 -9.709 -1.961 1.00 0.68 C ATOM 521 CG LYS A 41 -12.689 -10.824 -1.917 1.00 0.77 C ATOM 522 CD LYS A 41 -14.091 -10.284 -1.673 1.00 0.88 C ATOM 523 CE LYS A 41 -14.638 -9.569 -2.900 1.00 1.07 C ATOM 524 NZ LYS A 41 -14.698 -10.464 -4.089 1.00 1.29 N ATOM 0 H LYS A 41 -9.874 -10.803 -0.088 1.00 0.72 H new ATOM 0 HA LYS A 41 -10.067 -10.700 -3.035 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -11.750 -9.101 -1.062 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -11.869 -9.059 -2.810 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -12.670 -11.375 -2.857 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -12.429 -11.530 -1.129 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -14.756 -11.105 -1.403 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -14.074 -9.596 -0.828 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -15.636 -9.188 -2.682 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -14.010 -8.707 -3.127 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.365 -10.073 -4.784 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -13.753 -10.535 -4.518 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -15.018 -11.409 -3.796 1.00 1.29 H new ATOM 538 N VAL A 42 -9.061 -8.336 -3.100 1.00 0.67 N ATOM 539 CA VAL A 42 -8.183 -7.171 -3.147 1.00 0.68 C ATOM 540 C VAL A 42 -8.987 -5.888 -2.942 1.00 0.67 C ATOM 541 O VAL A 42 -9.963 -5.635 -3.651 1.00 0.75 O ATOM 542 CB VAL A 42 -7.402 -7.093 -4.479 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.272 -8.110 -4.491 1.00 0.80 C ATOM 544 CG2 VAL A 42 -8.326 -7.309 -5.672 1.00 0.83 C ATOM 0 H VAL A 42 -9.505 -8.564 -3.989 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.459 -7.278 -2.339 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.975 -6.094 -4.561 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.732 -8.043 -5.435 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.589 -7.905 -3.667 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.684 -9.113 -4.380 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.749 -7.249 -6.595 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -8.791 -8.292 -5.599 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -9.099 -6.541 -5.677 1.00 0.83 H new ATOM 554 N GLU A 43 -8.583 -5.084 -1.957 1.00 0.60 N ATOM 555 CA GLU A 43 -9.291 -3.847 -1.646 1.00 0.59 C ATOM 556 C GLU A 43 -8.297 -2.707 -1.454 1.00 0.58 C ATOM 557 O GLU A 43 -7.324 -2.840 -0.710 1.00 0.63 O ATOM 558 CB GLU A 43 -10.145 -4.029 -0.386 1.00 0.60 C ATOM 559 CG GLU A 43 -10.537 -5.478 -0.130 1.00 0.66 C ATOM 560 CD GLU A 43 -10.584 -5.830 1.337 1.00 0.70 C ATOM 561 OE1 GLU A 43 -11.603 -5.522 1.982 1.00 0.79 O ATOM 562 OE2 GLU A 43 -9.609 -6.422 1.840 1.00 0.75 O ATOM 0 H GLU A 43 -7.773 -5.268 -1.365 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.949 -3.599 -2.479 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.595 -3.651 0.476 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -11.048 -3.426 -0.477 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.514 -5.667 -0.574 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -9.826 -6.134 -0.632 1.00 0.66 H new ATOM 569 N VAL A 44 -8.543 -1.584 -2.126 1.00 0.55 N ATOM 570 CA VAL A 44 -7.648 -0.436 -2.035 1.00 0.56 C ATOM 571 C VAL A 44 -8.176 0.637 -1.088 1.00 0.54 C ATOM 572 O VAL A 44 -9.130 1.354 -1.387 1.00 0.57 O ATOM 573 CB VAL A 44 -7.371 0.198 -3.417 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.249 -0.543 -4.128 1.00 0.66 C ATOM 575 CG2 VAL A 44 -8.623 0.209 -4.275 1.00 0.64 C ATOM 0 H VAL A 44 -9.349 -1.446 -2.735 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.713 -0.827 -1.633 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.062 1.231 -3.256 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.068 -0.083 -5.099 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.341 -0.492 -3.527 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -6.533 -1.586 -4.268 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.398 0.661 -5.241 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -8.971 -0.813 -4.424 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.401 0.787 -3.776 1.00 0.64 H new ATOM 585 N VAL A 45 -7.542 0.720 0.069 1.00 0.51 N ATOM 586 CA VAL A 45 -7.890 1.722 1.099 1.00 0.50 C ATOM 587 C VAL A 45 -7.008 2.983 0.958 1.00 0.51 C ATOM 588 O VAL A 45 -5.926 2.972 0.369 1.00 0.54 O ATOM 589 CB VAL A 45 -7.872 1.135 2.531 1.00 0.51 C ATOM 590 CG1 VAL A 45 -8.261 -0.328 2.559 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.517 1.044 3.191 1.00 0.67 C ATOM 0 H VAL A 45 -6.773 0.104 0.334 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.922 2.026 0.926 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.546 1.829 3.034 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -8.233 -0.692 3.586 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -9.269 -0.444 2.160 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.562 -0.902 1.951 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.626 0.619 4.189 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.864 0.407 2.595 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -6.082 2.040 3.267 1.00 0.67 H new ATOM 601 N ALA A 46 -7.573 4.110 1.353 1.00 0.52 N ATOM 602 CA ALA A 46 -6.875 5.410 1.289 1.00 0.54 C ATOM 603 C ALA A 46 -7.175 6.259 2.529 1.00 0.55 C ATOM 604 O ALA A 46 -8.206 6.080 3.186 1.00 0.55 O ATOM 605 CB ALA A 46 -7.291 6.163 0.020 1.00 0.58 C ATOM 0 H ALA A 46 -8.521 4.165 1.726 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.802 5.222 1.261 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.773 7.121 -0.021 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -7.029 5.571 -0.857 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.368 6.333 0.034 1.00 0.58 H new ATOM 611 N SER A 47 -6.236 7.138 2.848 1.00 0.57 N ATOM 612 CA SER A 47 -6.380 8.087 3.967 1.00 0.60 C ATOM 613 C SER A 47 -6.204 9.524 3.475 1.00 0.64 C ATOM 614 O SER A 47 -5.264 9.855 2.739 1.00 0.65 O ATOM 615 CB SER A 47 -5.352 7.816 5.065 1.00 0.63 C ATOM 616 OG SER A 47 -5.441 6.455 5.492 1.00 0.62 O ATOM 0 H SER A 47 -5.352 7.222 2.347 1.00 0.57 H new ATOM 0 HA SER A 47 -7.381 7.953 4.377 1.00 0.60 H new ATOM 0 HB2 SER A 47 -4.348 8.025 4.695 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.525 8.483 5.910 1.00 0.63 H new ATOM 0 HG SER A 47 -4.778 6.288 6.194 1.00 0.62 H new ATOM 622 N LEU A 48 -7.124 10.374 3.925 1.00 0.66 N ATOM 623 CA LEU A 48 -7.133 11.787 3.579 1.00 0.71 C ATOM 624 C LEU A 48 -6.038 12.538 4.334 1.00 0.74 C ATOM 625 O LEU A 48 -5.370 11.975 5.202 1.00 0.74 O ATOM 626 CB LEU A 48 -8.499 12.404 3.916 1.00 0.72 C ATOM 627 CG LEU A 48 -9.639 12.084 2.942 1.00 0.74 C ATOM 628 CD1 LEU A 48 -10.133 10.655 3.123 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.784 13.069 3.132 1.00 0.79 C ATOM 0 H LEU A 48 -7.887 10.097 4.543 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.946 11.875 2.509 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.792 12.068 4.911 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.384 13.487 3.967 1.00 0.72 H new ATOM 0 HG LEU A 48 -9.254 12.179 1.927 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.941 10.457 2.419 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.313 9.961 2.939 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.499 10.523 4.141 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.588 12.832 2.435 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -11.158 13.000 4.154 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.428 14.082 2.944 1.00 0.79 H new ATOM 641 N LYS A 49 -5.869 13.814 4.002 1.00 0.80 N ATOM 642 CA LYS A 49 -4.869 14.647 4.660 1.00 0.86 C ATOM 643 C LYS A 49 -5.391 15.133 6.013 1.00 0.87 C ATOM 644 O LYS A 49 -4.620 15.559 6.875 1.00 0.93 O ATOM 645 CB LYS A 49 -4.504 15.842 3.769 1.00 0.94 C ATOM 646 CG LYS A 49 -3.289 16.622 4.252 1.00 1.01 C ATOM 647 CD LYS A 49 -2.008 15.814 4.108 1.00 1.07 C ATOM 648 CE LYS A 49 -0.825 16.525 4.744 1.00 1.20 C ATOM 649 NZ LYS A 49 -0.990 16.673 6.216 1.00 1.23 N ATOM 0 H LYS A 49 -6.411 14.293 3.282 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.972 14.050 4.827 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.315 15.484 2.757 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.359 16.516 3.714 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -3.201 17.548 3.683 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -3.428 16.901 5.296 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -2.139 14.837 4.573 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.804 15.640 3.052 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.088 15.967 4.536 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.707 17.510 4.291 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -0.070 16.891 6.648 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.657 17.446 6.415 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -1.359 15.786 6.615 1.00 1.23 H new ATOM 663 N ASN A 50 -6.709 15.051 6.190 1.00 0.84 N ATOM 664 CA ASN A 50 -7.353 15.470 7.431 1.00 0.88 C ATOM 665 C ASN A 50 -7.116 14.448 8.541 1.00 0.84 C ATOM 666 O ASN A 50 -7.056 14.802 9.720 1.00 1.01 O ATOM 667 CB ASN A 50 -8.857 15.656 7.212 1.00 0.90 C ATOM 668 CG ASN A 50 -9.171 16.683 6.140 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.426 17.643 5.944 1.00 1.05 O ATOM 670 ND2 ASN A 50 -10.280 16.483 5.436 1.00 1.01 N ATOM 0 H ASN A 50 -7.354 14.696 5.484 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.914 16.420 7.734 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.300 14.700 6.934 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -9.321 15.962 8.149 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.542 17.139 4.700 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.869 15.674 5.632 1.00 1.01 H new ATOM 677 N GLY A 51 -6.982 13.182 8.156 1.00 0.70 N ATOM 678 CA GLY A 51 -6.750 12.127 9.128 1.00 0.69 C ATOM 679 C GLY A 51 -7.896 11.137 9.197 1.00 0.64 C ATOM 680 O GLY A 51 -8.315 10.741 10.286 1.00 0.69 O ATOM 0 H GLY A 51 -7.030 12.867 7.187 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.832 11.598 8.872 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.598 12.571 10.112 1.00 0.69 H new ATOM 684 N LYS A 52 -8.404 10.735 8.034 1.00 0.60 N ATOM 685 CA LYS A 52 -9.508 9.782 7.969 1.00 0.57 C ATOM 686 C LYS A 52 -9.181 8.625 7.031 1.00 0.53 C ATOM 687 O LYS A 52 -8.417 8.780 6.084 1.00 0.62 O ATOM 688 CB LYS A 52 -10.792 10.475 7.510 1.00 0.62 C ATOM 689 CG LYS A 52 -11.405 11.387 8.562 1.00 0.70 C ATOM 690 CD LYS A 52 -12.828 11.788 8.200 1.00 0.86 C ATOM 691 CE LYS A 52 -13.794 10.620 8.333 1.00 0.96 C ATOM 692 NZ LYS A 52 -15.187 11.006 7.977 1.00 1.19 N ATOM 0 H LYS A 52 -8.069 11.054 7.125 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.659 9.382 8.972 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.579 11.060 6.615 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.523 9.717 7.229 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.404 10.881 9.527 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.791 12.281 8.670 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -13.152 12.603 8.847 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -12.851 12.164 7.177 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.468 9.804 7.688 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.772 10.246 9.356 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.813 10.182 8.081 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -15.509 11.767 8.609 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -15.214 11.339 6.992 1.00 1.19 H new ATOM 706 N GLU A 53 -9.775 7.468 7.304 1.00 0.52 N ATOM 707 CA GLU A 53 -9.555 6.261 6.489 1.00 0.49 C ATOM 708 C GLU A 53 -10.902 5.679 6.042 1.00 0.49 C ATOM 709 O GLU A 53 -11.831 5.523 6.839 1.00 0.51 O ATOM 710 CB GLU A 53 -8.754 5.230 7.294 1.00 0.49 C ATOM 711 CG GLU A 53 -9.540 4.705 8.503 1.00 0.63 C ATOM 712 CD GLU A 53 -8.702 3.860 9.446 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.721 4.426 9.972 1.00 0.64 O ATOM 714 OE2 GLU A 53 -9.113 2.703 9.676 1.00 0.69 O ATOM 0 H GLU A 53 -10.417 7.333 8.085 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.983 6.524 5.599 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.485 4.395 6.647 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.823 5.682 7.636 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.952 5.550 9.054 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.384 4.113 8.149 1.00 0.63 H new ATOM 721 N ILE A 54 -10.991 5.432 4.757 1.00 0.47 N ATOM 722 CA ILE A 54 -12.209 4.830 4.173 1.00 0.47 C ATOM 723 C ILE A 54 -11.831 3.602 3.335 1.00 0.45 C ATOM 724 O ILE A 54 -10.651 3.291 3.143 1.00 0.43 O ATOM 725 CB ILE A 54 -13.011 5.877 3.379 1.00 0.49 C ATOM 726 CG1 ILE A 54 -12.198 6.410 2.184 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.519 6.988 4.317 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.978 7.324 1.235 1.00 0.51 C ATOM 0 H ILE A 54 -10.251 5.630 4.084 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.866 4.487 4.972 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.893 5.402 2.951 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.335 6.956 2.564 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.814 5.562 1.616 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -14.084 7.721 3.741 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -14.163 6.553 5.081 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.670 7.478 4.794 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.325 7.650 0.425 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.826 6.779 0.820 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.339 8.194 1.783 1.00 0.51 H new ATOM 740 N CYS A 55 -12.859 2.983 2.776 1.00 0.46 N ATOM 741 CA CYS A 55 -12.697 1.820 1.894 1.00 0.44 C ATOM 742 C CYS A 55 -13.433 2.075 0.586 1.00 0.46 C ATOM 743 O CYS A 55 -14.577 2.521 0.563 1.00 0.49 O ATOM 744 CB CYS A 55 -13.289 0.580 2.549 1.00 0.45 C ATOM 745 SG CYS A 55 -12.348 -0.001 4.003 1.00 0.43 S ATOM 0 H CYS A 55 -13.829 3.265 2.915 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.634 1.663 1.708 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -14.314 0.794 2.852 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.335 -0.222 1.813 1.00 0.45 H new ATOM 750 N LEU A 56 -12.772 1.691 -0.483 1.00 0.46 N ATOM 751 CA LEU A 56 -13.312 1.886 -1.826 1.00 0.49 C ATOM 752 C LEU A 56 -13.599 0.514 -2.443 1.00 0.50 C ATOM 753 O LEU A 56 -12.946 -0.485 -2.122 1.00 0.48 O ATOM 754 CB LEU A 56 -12.235 2.705 -2.554 1.00 0.49 C ATOM 755 CG LEU A 56 -11.871 4.080 -1.984 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.959 4.801 -2.976 1.00 0.49 C ATOM 757 CD2 LEU A 56 -13.098 4.943 -1.676 1.00 0.51 C ATOM 0 H LEU A 56 -11.857 1.240 -0.457 1.00 0.46 H new ATOM 0 HA LEU A 56 -14.261 2.419 -1.872 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.325 2.106 -2.588 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.562 2.846 -3.584 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.359 3.920 -1.035 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.694 5.781 -2.580 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -10.053 4.215 -3.130 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.479 4.922 -3.926 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.776 5.904 -1.275 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.668 5.104 -2.591 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.725 4.436 -0.942 1.00 0.51 H new ATOM 769 N ASP A 57 -14.563 0.418 -3.350 1.00 0.53 N ATOM 770 CA ASP A 57 -14.843 -0.872 -4.000 1.00 0.54 C ATOM 771 C ASP A 57 -14.221 -0.918 -5.402 1.00 0.57 C ATOM 772 O ASP A 57 -14.702 -0.241 -6.308 1.00 0.62 O ATOM 773 CB ASP A 57 -16.350 -1.125 -4.099 1.00 0.59 C ATOM 774 CG ASP A 57 -16.714 -2.587 -3.897 1.00 0.60 C ATOM 775 OD1 ASP A 57 -16.132 -3.451 -4.587 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.586 -2.866 -3.048 1.00 0.67 O ATOM 0 H ASP A 57 -15.155 1.192 -3.652 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.397 -1.654 -3.385 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.866 -0.520 -3.353 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.706 -0.798 -5.076 1.00 0.59 H new ATOM 781 N PRO A 58 -13.146 -1.728 -5.599 1.00 0.58 N ATOM 782 CA PRO A 58 -12.463 -1.862 -6.909 1.00 0.64 C ATOM 783 C PRO A 58 -13.418 -2.229 -8.042 1.00 0.73 C ATOM 784 O PRO A 58 -13.099 -2.073 -9.222 1.00 0.86 O ATOM 785 CB PRO A 58 -11.469 -3.005 -6.679 1.00 0.68 C ATOM 786 CG PRO A 58 -11.242 -3.051 -5.210 1.00 0.63 C ATOM 787 CD PRO A 58 -12.513 -2.569 -4.562 1.00 0.59 C ATOM 0 HA PRO A 58 -12.004 -0.922 -7.214 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.869 -3.951 -7.043 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.536 -2.826 -7.214 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -11.002 -4.064 -4.887 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.400 -2.419 -4.928 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -13.156 -3.402 -4.276 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.308 -1.999 -3.656 1.00 0.59 H new ATOM 795 N GLU A 59 -14.588 -2.716 -7.655 1.00 0.69 N ATOM 796 CA GLU A 59 -15.652 -3.120 -8.585 1.00 0.81 C ATOM 797 C GLU A 59 -16.223 -1.950 -9.417 1.00 0.87 C ATOM 798 O GLU A 59 -16.906 -2.163 -10.417 1.00 0.96 O ATOM 799 CB GLU A 59 -16.759 -3.808 -7.781 1.00 0.84 C ATOM 800 CG GLU A 59 -17.793 -4.461 -8.700 1.00 1.11 C ATOM 801 CD GLU A 59 -18.882 -5.197 -7.928 1.00 1.18 C ATOM 802 OE1 GLU A 59 -19.573 -4.527 -7.129 1.00 1.35 O ATOM 803 OE2 GLU A 59 -18.985 -6.418 -8.161 1.00 1.29 O ATOM 0 H GLU A 59 -14.836 -2.846 -6.674 1.00 0.69 H new ATOM 0 HA GLU A 59 -15.219 -3.805 -9.313 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -16.321 -4.564 -7.129 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -17.251 -3.078 -7.138 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -18.251 -3.696 -9.327 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -17.290 -5.161 -9.367 1.00 1.11 H new ATOM 810 N ALA A 60 -15.962 -0.723 -8.984 1.00 0.84 N ATOM 811 CA ALA A 60 -16.466 0.467 -9.673 1.00 0.92 C ATOM 812 C ALA A 60 -15.365 1.096 -10.551 1.00 0.95 C ATOM 813 O ALA A 60 -14.251 1.333 -10.073 1.00 0.92 O ATOM 814 CB ALA A 60 -16.975 1.441 -8.615 1.00 0.91 C ATOM 0 H ALA A 60 -15.402 -0.521 -8.156 1.00 0.84 H new ATOM 0 HA ALA A 60 -17.283 0.203 -10.344 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.357 2.339 -9.101 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.774 0.971 -8.042 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -16.158 1.711 -7.946 1.00 0.91 H new ATOM 820 N PRO A 61 -15.717 1.469 -11.788 1.00 1.04 N ATOM 821 CA PRO A 61 -14.777 2.062 -12.761 1.00 1.08 C ATOM 822 C PRO A 61 -14.242 3.436 -12.333 1.00 1.06 C ATOM 823 O PRO A 61 -13.032 3.648 -12.322 1.00 1.05 O ATOM 824 CB PRO A 61 -15.569 2.143 -14.065 1.00 1.20 C ATOM 825 CG PRO A 61 -17.014 2.310 -13.595 1.00 1.24 C ATOM 826 CD PRO A 61 -17.080 1.418 -12.356 1.00 1.13 C ATOM 0 HA PRO A 61 -13.878 1.453 -12.855 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -15.247 2.984 -14.679 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.444 1.243 -14.667 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -17.243 3.349 -13.357 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.725 1.994 -14.358 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.820 1.783 -11.644 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.363 0.398 -12.616 1.00 1.13 H new ATOM 834 N PHE A 62 -15.132 4.274 -11.795 1.00 1.08 N ATOM 835 CA PHE A 62 -14.762 5.609 -11.274 1.00 1.08 C ATOM 836 C PHE A 62 -13.749 5.510 -10.128 1.00 0.97 C ATOM 837 O PHE A 62 -12.914 6.391 -9.937 1.00 0.97 O ATOM 838 CB PHE A 62 -15.995 6.388 -10.801 1.00 1.15 C ATOM 839 CG PHE A 62 -16.708 5.733 -9.615 1.00 1.13 C ATOM 840 CD1 PHE A 62 -16.319 6.038 -8.316 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.761 4.860 -9.844 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.986 5.471 -7.243 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.440 4.305 -8.769 1.00 1.19 C ATOM 844 CZ PHE A 62 -18.048 4.603 -7.473 1.00 1.15 C ATOM 0 H PHE A 62 -16.124 4.056 -11.705 1.00 1.08 H new ATOM 0 HA PHE A 62 -14.300 6.148 -12.101 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -15.693 7.397 -10.522 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -16.696 6.483 -11.630 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.497 6.717 -8.144 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -18.051 4.613 -10.855 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.683 5.702 -6.232 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -19.274 3.641 -8.942 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.570 4.159 -6.638 1.00 1.15 H new ATOM 854 N LEU A 63 -13.784 4.382 -9.440 1.00 0.89 N ATOM 855 CA LEU A 63 -12.875 4.120 -8.344 1.00 0.79 C ATOM 856 C LEU A 63 -11.470 3.842 -8.872 1.00 0.80 C ATOM 857 O LEU A 63 -10.482 4.258 -8.274 1.00 0.80 O ATOM 858 CB LEU A 63 -13.380 2.925 -7.554 1.00 0.72 C ATOM 859 CG LEU A 63 -12.993 2.915 -6.088 1.00 0.64 C ATOM 860 CD1 LEU A 63 -14.251 2.937 -5.235 1.00 0.60 C ATOM 861 CD2 LEU A 63 -12.124 1.702 -5.784 1.00 0.63 C ATOM 0 H LEU A 63 -14.442 3.626 -9.627 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.831 4.996 -7.696 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.467 2.893 -7.627 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -13.002 2.015 -8.020 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.407 3.803 -5.852 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.976 2.930 -4.180 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.824 3.838 -5.454 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.857 2.059 -5.458 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.852 1.705 -4.729 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.677 0.791 -6.014 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -11.220 1.740 -6.392 1.00 0.63 H new ATOM 873 N LYS A 64 -11.400 3.142 -10.007 1.00 0.85 N ATOM 874 CA LYS A 64 -10.126 2.797 -10.641 1.00 0.90 C ATOM 875 C LYS A 64 -9.440 4.046 -11.214 1.00 0.94 C ATOM 876 O LYS A 64 -8.236 4.056 -11.460 1.00 0.99 O ATOM 877 CB LYS A 64 -10.365 1.768 -11.749 1.00 1.00 C ATOM 878 CG LYS A 64 -9.091 1.190 -12.345 1.00 1.10 C ATOM 879 CD LYS A 64 -9.385 0.288 -13.533 1.00 1.26 C ATOM 880 CE LYS A 64 -9.939 1.074 -14.712 1.00 1.46 C ATOM 881 NZ LYS A 64 -10.119 0.216 -15.918 1.00 1.71 N ATOM 0 H LYS A 64 -12.219 2.800 -10.509 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.467 2.369 -9.886 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -10.969 0.953 -11.349 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -10.946 2.235 -12.544 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -8.435 2.002 -12.658 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.556 0.624 -11.582 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -8.472 -0.226 -13.835 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -10.101 -0.480 -13.239 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -10.896 1.517 -14.435 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -9.264 1.896 -14.949 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -10.498 0.789 -16.699 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -9.202 -0.186 -16.198 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -10.783 -0.554 -15.700 1.00 1.71 H new ATOM 895 N LYS A 65 -10.233 5.090 -11.414 1.00 0.94 N ATOM 896 CA LYS A 65 -9.755 6.378 -11.946 1.00 0.99 C ATOM 897 C LYS A 65 -9.011 7.218 -10.905 1.00 0.96 C ATOM 898 O LYS A 65 -7.820 7.489 -11.060 1.00 1.01 O ATOM 899 CB LYS A 65 -10.937 7.175 -12.484 1.00 1.02 C ATOM 900 CG LYS A 65 -11.582 6.478 -13.682 1.00 1.09 C ATOM 901 CD LYS A 65 -12.693 7.344 -14.285 1.00 1.15 C ATOM 902 CE LYS A 65 -12.164 8.651 -14.893 1.00 1.21 C ATOM 903 NZ LYS A 65 -11.247 8.394 -16.013 1.00 1.29 N ATOM 0 H LYS A 65 -11.233 5.076 -11.213 1.00 0.94 H new ATOM 0 HA LYS A 65 -9.045 6.150 -12.741 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.678 7.306 -11.696 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.603 8.170 -12.777 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -10.825 6.272 -14.439 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -11.992 5.517 -13.371 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -13.214 6.775 -15.055 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.425 7.578 -13.512 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -13.001 9.257 -15.239 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.649 9.228 -14.125 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -11.056 9.284 -16.516 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -10.355 8.004 -15.648 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -11.681 7.712 -16.668 1.00 1.29 H new ATOM 917 N VAL A 66 -9.670 7.478 -9.778 1.00 0.90 N ATOM 918 CA VAL A 66 -9.056 8.234 -8.692 1.00 0.88 C ATOM 919 C VAL A 66 -7.849 7.484 -8.105 1.00 0.88 C ATOM 920 O VAL A 66 -6.927 8.110 -7.587 1.00 0.91 O ATOM 921 CB VAL A 66 -10.070 8.562 -7.572 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.256 9.317 -8.144 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.532 7.302 -6.850 1.00 0.85 C ATOM 0 H VAL A 66 -10.627 7.177 -9.594 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.710 9.175 -9.121 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.569 9.195 -6.839 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -11.963 9.542 -7.346 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -10.911 10.247 -8.597 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.746 8.705 -8.901 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.244 7.570 -6.069 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -11.010 6.629 -7.562 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.672 6.804 -6.402 1.00 0.85 H new ATOM 933 N ILE A 67 -7.848 6.141 -8.191 1.00 0.88 N ATOM 934 CA ILE A 67 -6.722 5.356 -7.678 1.00 0.91 C ATOM 935 C ILE A 67 -5.607 5.294 -8.716 1.00 0.98 C ATOM 936 O ILE A 67 -4.468 4.962 -8.396 1.00 1.05 O ATOM 937 CB ILE A 67 -7.097 3.918 -7.234 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.516 3.053 -8.429 1.00 0.93 C ATOM 939 CG2 ILE A 67 -8.194 3.952 -6.176 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.714 1.592 -8.077 1.00 1.00 C ATOM 0 H ILE A 67 -8.601 5.590 -8.603 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.386 5.876 -6.781 1.00 0.91 H new ATOM 0 HB ILE A 67 -6.209 3.463 -6.795 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.443 3.447 -8.846 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.758 3.131 -9.208 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.443 2.934 -5.877 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.844 4.510 -5.307 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -9.080 4.437 -6.586 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -8.009 1.040 -8.969 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.782 1.182 -7.688 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -8.493 1.502 -7.320 1.00 1.00 H new ATOM 952 N GLN A 68 -5.946 5.582 -9.971 1.00 0.99 N ATOM 953 CA GLN A 68 -4.929 5.629 -11.035 1.00 1.08 C ATOM 954 C GLN A 68 -4.105 6.923 -10.936 1.00 1.06 C ATOM 955 O GLN A 68 -2.877 6.890 -11.000 1.00 1.09 O ATOM 956 CB GLN A 68 -5.606 5.547 -12.395 1.00 1.16 C ATOM 957 CG GLN A 68 -4.593 5.220 -13.485 1.00 1.27 C ATOM 958 CD GLN A 68 -5.304 4.922 -14.799 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.317 5.499 -15.164 1.00 1.41 O ATOM 960 NE2 GLN A 68 -4.716 4.011 -15.539 1.00 1.52 N ATOM 0 H GLN A 68 -6.897 5.784 -10.279 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.256 4.780 -10.915 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.383 4.783 -12.374 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.096 6.494 -12.620 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -3.908 6.058 -13.617 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -3.992 4.361 -13.186 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -3.871 3.549 -15.203 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -5.104 3.765 -16.450 1.00 1.52 H new ATOM 969 N LYS A 69 -4.799 8.045 -10.739 1.00 1.05 N ATOM 970 CA LYS A 69 -4.162 9.361 -10.640 1.00 1.06 C ATOM 971 C LYS A 69 -3.179 9.451 -9.469 1.00 1.08 C ATOM 972 O LYS A 69 -2.141 10.106 -9.580 1.00 1.15 O ATOM 973 CB LYS A 69 -5.225 10.452 -10.490 1.00 1.03 C ATOM 974 CG LYS A 69 -6.181 10.551 -11.668 1.00 1.10 C ATOM 975 CD LYS A 69 -7.312 11.525 -11.375 1.00 1.19 C ATOM 976 CE LYS A 69 -8.242 11.684 -12.568 1.00 1.38 C ATOM 977 NZ LYS A 69 -9.352 12.635 -12.280 1.00 1.58 N ATOM 0 H LYS A 69 -5.814 8.068 -10.644 1.00 1.05 H new ATOM 0 HA LYS A 69 -3.598 9.508 -11.561 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -5.800 10.262 -9.584 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -4.728 11.413 -10.357 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -5.637 10.876 -12.555 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -6.593 9.567 -11.890 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -7.881 11.173 -10.514 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -6.896 12.496 -11.107 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -7.673 12.038 -13.428 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -8.656 10.713 -12.838 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -9.965 12.717 -13.116 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -9.910 12.284 -11.475 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -8.958 13.569 -12.047 1.00 1.58 H new ATOM 991 N ILE A 70 -3.503 8.802 -8.351 1.00 1.07 N ATOM 992 CA ILE A 70 -2.631 8.839 -7.174 1.00 1.12 C ATOM 993 C ILE A 70 -1.419 7.921 -7.333 1.00 1.25 C ATOM 994 O ILE A 70 -0.433 8.051 -6.607 1.00 1.37 O ATOM 995 CB ILE A 70 -3.386 8.468 -5.877 1.00 1.09 C ATOM 996 CG1 ILE A 70 -4.006 7.072 -5.989 1.00 1.09 C ATOM 997 CG2 ILE A 70 -4.454 9.511 -5.571 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.766 6.638 -4.753 1.00 1.19 C ATOM 0 H ILE A 70 -4.353 8.250 -8.234 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.285 9.869 -7.093 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.672 8.453 -5.054 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.681 7.052 -6.844 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -3.216 6.349 -6.190 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.978 9.237 -4.655 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.984 10.486 -5.443 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -5.165 9.557 -6.396 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -5.175 5.640 -4.909 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -4.091 6.624 -3.897 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.579 7.338 -4.562 1.00 1.19 H new ATOM 1122 N LEU B 8 7.877 20.822 15.908 1.00 0.80 N ATOM 1123 CA LEU B 8 8.348 21.388 14.624 1.00 0.77 C ATOM 1124 C LEU B 8 9.823 21.830 14.747 1.00 0.77 C ATOM 1125 O LEU B 8 10.152 22.956 15.113 1.00 0.79 O ATOM 1126 CB LEU B 8 7.423 22.547 14.209 1.00 0.78 C ATOM 1127 CG LEU B 8 7.679 23.142 12.811 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.404 23.820 12.319 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.773 24.217 12.793 1.00 0.77 C ATOM 0 HA LEU B 8 8.306 20.630 13.842 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.392 22.196 14.251 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.519 23.345 14.946 1.00 0.78 H new ATOM 0 HG LEU B 8 7.996 22.310 12.183 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.576 24.244 11.330 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.600 23.086 12.264 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.124 24.614 13.011 1.00 0.77 H new ATOM 0 HD21 LEU B 8 8.899 24.591 11.777 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.486 25.039 13.449 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.712 23.786 13.140 1.00 0.77 H new ATOM 1141 N ARG B 9 10.681 20.826 14.664 1.00 0.75 N ATOM 1142 CA ARG B 9 12.136 21.043 14.763 1.00 0.75 C ATOM 1143 C ARG B 9 12.885 20.328 13.636 1.00 0.72 C ATOM 1144 O ARG B 9 13.470 20.968 12.769 1.00 0.71 O ATOM 1145 CB ARG B 9 12.672 20.694 16.163 1.00 0.79 C ATOM 1146 CG ARG B 9 12.398 19.252 16.603 1.00 0.79 C ATOM 1147 CD ARG B 9 13.128 18.904 17.896 1.00 0.82 C ATOM 1148 NE ARG B 9 12.902 17.482 18.217 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.788 16.945 18.719 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.712 17.679 18.983 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.752 15.650 19.007 1.00 0.84 N ATOM 0 H ARG B 9 10.408 19.853 14.529 1.00 0.75 H new ATOM 0 HA ARG B 9 12.325 22.108 14.629 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.748 20.869 16.181 1.00 0.79 H new ATOM 0 HB3 ARG B 9 12.227 21.374 16.889 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.326 19.112 16.742 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.709 18.566 15.815 1.00 0.79 H new ATOM 0 HD2 ARG B 9 14.195 19.099 17.788 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.769 19.534 18.710 1.00 0.82 H new ATOM 0 HE ARG B 9 13.677 16.844 18.037 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.722 18.683 18.802 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.876 17.239 19.366 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.574 15.068 18.845 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.902 15.236 19.391 1.00 0.84 H new ATOM 1165 N GLU B 10 12.810 18.994 13.652 1.00 0.71 N ATOM 1166 CA GLU B 10 13.564 18.124 12.744 1.00 0.68 C ATOM 1167 C GLU B 10 12.818 16.806 12.524 1.00 0.66 C ATOM 1168 O GLU B 10 12.515 16.082 13.474 1.00 0.68 O ATOM 1169 CB GLU B 10 14.941 17.808 13.339 1.00 0.70 C ATOM 1170 CG GLU B 10 15.835 19.048 13.457 1.00 0.72 C ATOM 1171 CD GLU B 10 17.235 18.747 13.992 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.704 17.607 13.778 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.815 19.677 14.588 1.00 0.77 O ATOM 0 H GLU B 10 12.216 18.481 14.304 1.00 0.71 H new ATOM 0 HA GLU B 10 13.678 18.646 11.794 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.812 17.363 14.326 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.439 17.064 12.717 1.00 0.70 H new ATOM 0 HG2 GLU B 10 15.923 19.516 12.477 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.352 19.772 14.114 1.00 0.72 H new ATOM 1180 N LEU B 11 12.408 16.626 11.282 1.00 0.63 N ATOM 1181 CA LEU B 11 11.689 15.416 10.848 1.00 0.61 C ATOM 1182 C LEU B 11 12.394 14.786 9.647 1.00 0.58 C ATOM 1183 O LEU B 11 12.860 15.482 8.743 1.00 0.57 O ATOM 1184 CB LEU B 11 10.252 15.784 10.481 1.00 0.60 C ATOM 1185 CG LEU B 11 9.484 16.307 11.696 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.888 17.680 11.384 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.398 15.313 12.107 1.00 0.64 C ATOM 0 H LEU B 11 12.558 17.307 10.537 1.00 0.63 H new ATOM 0 HA LEU B 11 11.679 14.692 11.663 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.257 16.542 9.698 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.743 14.910 10.075 1.00 0.60 H new ATOM 0 HG LEU B 11 10.172 16.415 12.535 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.343 18.046 12.254 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.689 18.377 11.138 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.207 17.597 10.537 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.860 15.699 12.973 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.702 15.173 11.280 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.857 14.357 12.361 1.00 0.64 H new ATOM 1199 N ARG B 12 12.433 13.467 9.680 1.00 0.57 N ATOM 1200 CA ARG B 12 13.141 12.669 8.660 1.00 0.55 C ATOM 1201 C ARG B 12 12.102 12.012 7.756 1.00 0.52 C ATOM 1202 O ARG B 12 11.017 11.645 8.212 1.00 0.52 O ATOM 1203 CB ARG B 12 13.977 11.572 9.347 1.00 0.57 C ATOM 1204 CG ARG B 12 14.779 12.040 10.573 1.00 0.60 C ATOM 1205 CD ARG B 12 15.607 13.286 10.248 1.00 0.61 C ATOM 1206 NE ARG B 12 16.478 13.657 11.363 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.790 13.483 11.295 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.325 12.294 11.542 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.572 14.522 11.069 1.00 0.68 N ATOM 0 H ARG B 12 11.982 12.908 10.404 1.00 0.57 H new ATOM 0 HA ARG B 12 13.801 13.312 8.078 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.310 10.766 9.654 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.669 11.153 8.617 1.00 0.57 H new ATOM 0 HG2 ARG B 12 14.098 12.257 11.396 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.438 11.239 10.908 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.211 13.101 9.359 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.941 14.116 10.014 1.00 0.61 H new ATOM 0 HE ARG B 12 16.068 14.057 12.207 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.725 11.506 11.786 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.336 12.168 11.488 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.165 15.450 10.948 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.583 14.397 11.015 1.00 0.68 H new ATOM 1223 N CYS B 13 12.450 11.861 6.481 1.00 0.50 N ATOM 1224 CA CYS B 13 11.608 11.111 5.532 1.00 0.48 C ATOM 1225 C CYS B 13 11.337 9.700 6.079 1.00 0.48 C ATOM 1226 O CYS B 13 12.144 9.147 6.827 1.00 0.49 O ATOM 1227 CB CYS B 13 12.327 11.011 4.186 1.00 0.47 C ATOM 1228 SG CYS B 13 12.298 12.550 3.197 1.00 0.48 S ATOM 0 H CYS B 13 13.304 12.243 6.075 1.00 0.50 H new ATOM 0 HA CYS B 13 10.659 11.631 5.401 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.364 10.726 4.362 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.871 10.210 3.603 1.00 0.47 H new ATOM 1233 N VAL B 14 10.188 9.141 5.700 1.00 0.46 N ATOM 1234 CA VAL B 14 9.820 7.763 6.111 1.00 0.46 C ATOM 1235 C VAL B 14 10.854 6.727 5.614 1.00 0.46 C ATOM 1236 O VAL B 14 11.087 5.697 6.237 1.00 0.47 O ATOM 1237 CB VAL B 14 8.363 7.421 5.715 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.091 7.361 4.211 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.893 6.112 6.352 1.00 0.46 C ATOM 0 H VAL B 14 9.494 9.606 5.115 1.00 0.46 H new ATOM 0 HA VAL B 14 9.851 7.716 7.200 1.00 0.46 H new ATOM 0 HB VAL B 14 7.792 8.264 6.104 1.00 0.45 H new ATOM 0 HG11 VAL B 14 7.043 7.115 4.040 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.314 8.329 3.762 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.722 6.597 3.757 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.866 5.908 6.049 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.537 5.296 6.024 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.941 6.198 7.438 1.00 0.46 H new ATOM 1249 N CYS B 15 11.445 7.047 4.466 1.00 0.45 N ATOM 1250 CA CYS B 15 12.476 6.236 3.802 1.00 0.45 C ATOM 1251 C CYS B 15 13.787 7.004 3.667 1.00 0.47 C ATOM 1252 O CYS B 15 13.887 7.949 2.885 1.00 0.47 O ATOM 1253 CB CYS B 15 12.013 5.858 2.398 1.00 0.43 C ATOM 1254 SG CYS B 15 10.720 4.583 2.404 1.00 0.42 S ATOM 0 H CYS B 15 11.218 7.899 3.954 1.00 0.45 H new ATOM 0 HA CYS B 15 12.636 5.348 4.414 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.638 6.748 1.892 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.867 5.501 1.823 1.00 0.43 H new ATOM 1259 N LEU B 16 14.732 6.638 4.523 1.00 0.49 N ATOM 1260 CA LEU B 16 16.094 7.207 4.459 1.00 0.52 C ATOM 1261 C LEU B 16 16.999 6.528 3.420 1.00 0.54 C ATOM 1262 O LEU B 16 17.835 7.175 2.784 1.00 0.55 O ATOM 1263 CB LEU B 16 16.746 7.195 5.846 1.00 0.55 C ATOM 1264 CG LEU B 16 16.035 8.119 6.844 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.698 7.996 8.217 1.00 0.58 C ATOM 1266 CD2 LEU B 16 16.056 9.585 6.386 1.00 0.54 C ATOM 0 H LEU B 16 14.594 5.956 5.269 1.00 0.49 H new ATOM 0 HA LEU B 16 15.980 8.238 4.123 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.744 6.177 6.235 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.789 7.499 5.755 1.00 0.55 H new ATOM 0 HG LEU B 16 14.992 7.807 6.902 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.193 8.653 8.925 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.628 6.965 8.564 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.747 8.283 8.142 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.542 10.203 7.122 1.00 0.54 H new ATOM 0 HD22 LEU B 16 17.088 9.921 6.288 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.553 9.673 5.423 1.00 0.54 H new ATOM 1278 N GLN B 17 16.793 5.241 3.239 1.00 0.53 N ATOM 1279 CA GLN B 17 17.554 4.390 2.316 1.00 0.55 C ATOM 1280 C GLN B 17 16.655 3.940 1.152 1.00 0.53 C ATOM 1281 O GLN B 17 15.469 4.261 1.085 1.00 0.50 O ATOM 1282 CB GLN B 17 18.158 3.185 3.065 1.00 0.58 C ATOM 1283 CG GLN B 17 17.157 2.126 3.558 1.00 0.56 C ATOM 1284 CD GLN B 17 16.252 2.569 4.719 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.349 3.617 5.335 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.323 1.717 5.070 1.00 0.54 N ATOM 0 H GLN B 17 16.068 4.730 3.743 1.00 0.53 H new ATOM 0 HA GLN B 17 18.381 4.965 1.900 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.878 2.697 2.407 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.714 3.559 3.925 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.526 1.828 2.720 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.713 1.241 3.869 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.224 0.834 4.568 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.697 1.935 5.845 1.00 0.54 H new ATOM 1295 N THR B 18 17.261 3.148 0.286 1.00 0.55 N ATOM 1296 CA THR B 18 16.588 2.572 -0.892 1.00 0.54 C ATOM 1297 C THR B 18 16.795 1.049 -0.964 1.00 0.55 C ATOM 1298 O THR B 18 17.396 0.436 -0.079 1.00 0.57 O ATOM 1299 CB THR B 18 17.097 3.317 -2.137 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.344 2.879 -3.264 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.599 3.144 -2.399 1.00 0.60 C ATOM 0 H THR B 18 18.241 2.877 0.370 1.00 0.55 H new ATOM 0 HA THR B 18 15.508 2.706 -0.825 1.00 0.54 H new ATOM 0 HB THR B 18 16.957 4.383 -1.958 1.00 0.56 H new ATOM 0 HG1 THR B 18 16.955 2.614 -3.983 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.879 3.700 -3.294 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.163 3.522 -1.546 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.824 2.087 -2.543 1.00 0.60 H new ATOM 1309 N THR B 19 16.374 0.463 -2.080 1.00 0.55 N ATOM 1310 CA THR B 19 16.462 -0.974 -2.384 1.00 0.57 C ATOM 1311 C THR B 19 16.404 -1.201 -3.905 1.00 0.58 C ATOM 1312 O THR B 19 15.822 -0.414 -4.660 1.00 0.57 O ATOM 1313 CB THR B 19 15.321 -1.732 -1.668 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.405 -1.511 -0.257 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.340 -3.243 -1.901 1.00 0.56 C ATOM 0 H THR B 19 15.942 0.994 -2.836 1.00 0.55 H new ATOM 0 HA THR B 19 17.415 -1.360 -2.021 1.00 0.57 H new ATOM 0 HB THR B 19 14.396 -1.340 -2.091 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.860 -0.733 -0.015 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.509 -3.704 -1.367 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.244 -3.448 -2.967 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.280 -3.656 -1.536 1.00 0.56 H new ATOM 1323 N GLN B 20 17.028 -2.297 -4.305 1.00 0.61 N ATOM 1324 CA GLN B 20 17.084 -2.790 -5.683 1.00 0.64 C ATOM 1325 C GLN B 20 16.662 -4.260 -5.788 1.00 0.64 C ATOM 1326 O GLN B 20 17.453 -5.187 -5.962 1.00 0.68 O ATOM 1327 CB GLN B 20 18.465 -2.529 -6.316 1.00 0.68 C ATOM 1328 CG GLN B 20 19.673 -3.256 -5.712 1.00 0.72 C ATOM 1329 CD GLN B 20 20.018 -2.877 -4.270 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.610 -1.893 -3.674 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.874 -3.667 -3.675 1.00 0.73 N ATOM 0 H GLN B 20 17.533 -2.898 -3.654 1.00 0.61 H new ATOM 0 HA GLN B 20 16.355 -2.223 -6.261 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.406 -2.795 -7.371 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.659 -1.458 -6.268 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.486 -4.329 -5.752 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.543 -3.060 -6.339 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.226 -4.494 -4.158 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.190 -3.456 -2.728 1.00 0.73 H new ATOM 1340 N GLY B 21 15.352 -4.444 -5.617 1.00 0.61 N ATOM 1341 CA GLY B 21 14.777 -5.772 -5.807 1.00 0.61 C ATOM 1342 C GLY B 21 14.471 -6.031 -7.299 1.00 0.63 C ATOM 1343 O GLY B 21 14.612 -5.115 -8.099 1.00 0.64 O ATOM 0 H GLY B 21 14.689 -3.715 -5.356 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.469 -6.529 -5.437 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.862 -5.864 -5.222 1.00 0.61 H new ATOM 1347 N VAL B 22 13.893 -7.152 -7.716 1.00 0.64 N ATOM 1348 CA VAL B 22 13.251 -8.337 -7.075 1.00 0.63 C ATOM 1349 C VAL B 22 11.988 -8.650 -7.907 1.00 0.62 C ATOM 1350 O VAL B 22 11.735 -8.011 -8.925 1.00 0.63 O ATOM 1351 CB VAL B 22 12.915 -8.207 -5.561 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.756 -7.251 -5.230 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.784 -9.562 -4.854 1.00 0.61 C ATOM 0 H VAL B 22 13.849 -7.290 -8.726 1.00 0.64 H new ATOM 0 HA VAL B 22 13.978 -9.150 -7.081 1.00 0.63 H new ATOM 0 HB VAL B 22 13.795 -7.719 -5.142 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.599 -7.229 -4.152 1.00 0.56 H new ATOM 0 HG12 VAL B 22 11.999 -6.248 -5.582 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.847 -7.597 -5.722 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.549 -9.402 -3.802 1.00 0.61 H new ATOM 0 HG22 VAL B 22 11.986 -10.140 -5.320 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.724 -10.108 -4.937 1.00 0.61 H new ATOM 1363 N HIS B 23 11.160 -9.577 -7.438 1.00 0.61 N ATOM 1364 CA HIS B 23 9.881 -9.882 -8.080 1.00 0.61 C ATOM 1365 C HIS B 23 8.717 -9.573 -7.115 1.00 0.57 C ATOM 1366 O HIS B 23 8.829 -9.857 -5.916 1.00 0.56 O ATOM 1367 CB HIS B 23 9.887 -11.348 -8.527 1.00 0.64 C ATOM 1368 CG HIS B 23 8.710 -11.665 -9.455 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.460 -11.872 -9.059 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.746 -11.815 -10.776 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.720 -12.168 -10.125 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.518 -12.133 -11.187 1.00 0.68 N ATOM 0 H HIS B 23 11.352 -10.137 -6.607 1.00 0.61 H new ATOM 0 HA HIS B 23 9.740 -9.257 -8.962 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.823 -11.568 -9.040 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.844 -11.995 -7.651 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.616 -11.700 -11.405 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.664 -12.395 -10.127 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.239 -12.318 -12.151 1.00 0.68 H new ATOM 1380 N PRO B 24 7.599 -9.067 -7.663 1.00 0.57 N ATOM 1381 CA PRO B 24 6.340 -8.821 -6.932 1.00 0.55 C ATOM 1382 C PRO B 24 5.865 -10.040 -6.143 1.00 0.55 C ATOM 1383 O PRO B 24 5.101 -9.883 -5.200 1.00 0.53 O ATOM 1384 CB PRO B 24 5.288 -8.589 -8.008 1.00 0.56 C ATOM 1385 CG PRO B 24 6.079 -7.981 -9.152 1.00 0.58 C ATOM 1386 CD PRO B 24 7.437 -8.664 -9.074 1.00 0.59 C ATOM 0 HA PRO B 24 6.491 -7.996 -6.236 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.805 -9.520 -8.304 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.502 -7.918 -7.662 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.596 -8.165 -10.112 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.170 -6.900 -9.043 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.479 -9.529 -9.736 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.234 -7.988 -9.382 1.00 0.59 H new ATOM 1394 N LYS B 25 6.320 -11.230 -6.533 1.00 0.57 N ATOM 1395 CA LYS B 25 5.979 -12.507 -5.892 1.00 0.58 C ATOM 1396 C LYS B 25 6.209 -12.484 -4.369 1.00 0.56 C ATOM 1397 O LYS B 25 5.491 -13.137 -3.621 1.00 0.57 O ATOM 1398 CB LYS B 25 6.826 -13.610 -6.521 1.00 0.61 C ATOM 1399 CG LYS B 25 6.001 -14.890 -6.663 1.00 0.62 C ATOM 1400 CD LYS B 25 6.786 -16.032 -7.312 1.00 0.66 C ATOM 1401 CE LYS B 25 7.874 -16.578 -6.388 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.778 -18.039 -6.315 1.00 0.69 N ATOM 0 H LYS B 25 6.954 -11.339 -7.325 1.00 0.57 H new ATOM 0 HA LYS B 25 4.916 -12.690 -6.051 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.186 -13.290 -7.499 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.705 -13.801 -5.905 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.656 -15.206 -5.678 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.113 -14.680 -7.260 1.00 0.62 H new ATOM 0 HD2 LYS B 25 6.101 -16.836 -7.580 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.240 -15.679 -8.238 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.857 -16.287 -6.758 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.768 -16.147 -5.392 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.520 -18.405 -5.685 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.845 -18.307 -5.943 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 7.901 -18.443 -7.266 1.00 0.69 H new ATOM 1416 N MET B 26 7.169 -11.662 -3.946 1.00 0.55 N ATOM 1417 CA MET B 26 7.472 -11.440 -2.519 1.00 0.55 C ATOM 1418 C MET B 26 6.641 -10.313 -1.883 1.00 0.52 C ATOM 1419 O MET B 26 6.527 -10.217 -0.658 1.00 0.52 O ATOM 1420 CB MET B 26 8.971 -11.177 -2.343 1.00 0.57 C ATOM 1421 CG MET B 26 9.816 -12.442 -2.560 1.00 0.64 C ATOM 1422 SD MET B 26 9.766 -13.633 -1.168 1.00 0.75 S ATOM 1423 CE MET B 26 8.549 -14.806 -1.731 1.00 0.95 C ATOM 0 H MET B 26 7.764 -11.127 -4.579 1.00 0.55 H new ATOM 0 HA MET B 26 7.191 -12.350 -1.989 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.287 -10.407 -3.046 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.154 -10.788 -1.341 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.471 -12.944 -3.464 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.851 -12.148 -2.733 1.00 0.64 H new ATOM 0 HE1 MET B 26 7.820 -14.982 -0.940 1.00 0.95 H new ATOM 0 HE2 MET B 26 8.042 -14.410 -2.611 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.040 -15.745 -1.987 1.00 0.95 H new ATOM 1433 N ILE B 27 6.076 -9.447 -2.715 1.00 0.50 N ATOM 1434 CA ILE B 27 5.280 -8.319 -2.228 1.00 0.48 C ATOM 1435 C ILE B 27 3.791 -8.666 -2.158 1.00 0.49 C ATOM 1436 O ILE B 27 3.245 -9.290 -3.070 1.00 0.56 O ATOM 1437 CB ILE B 27 5.469 -7.074 -3.127 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.961 -6.788 -3.351 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.778 -5.859 -2.521 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.742 -6.537 -2.075 1.00 0.58 C ATOM 0 H ILE B 27 6.152 -9.501 -3.731 1.00 0.50 H new ATOM 0 HA ILE B 27 5.636 -8.096 -1.222 1.00 0.48 H new ATOM 0 HB ILE B 27 5.010 -7.282 -4.093 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.407 -7.632 -3.877 1.00 0.56 H new ATOM 0 HG13 ILE B 27 7.060 -5.919 -4.002 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.924 -4.996 -3.170 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.712 -6.060 -2.419 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.203 -5.651 -1.539 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.786 -6.343 -2.320 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.325 -5.674 -1.557 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.677 -7.413 -1.430 1.00 0.58 H new ATOM 1452 N SER B 28 3.140 -8.258 -1.068 1.00 0.47 N ATOM 1453 CA SER B 28 1.717 -8.515 -0.876 1.00 0.54 C ATOM 1454 C SER B 28 0.999 -7.265 -0.354 1.00 0.55 C ATOM 1455 O SER B 28 -0.194 -7.304 -0.053 1.00 0.70 O ATOM 1456 CB SER B 28 1.519 -9.680 0.097 1.00 0.61 C ATOM 1457 OG SER B 28 2.090 -10.874 -0.414 1.00 0.68 O ATOM 0 H SER B 28 3.580 -7.746 -0.303 1.00 0.47 H new ATOM 0 HA SER B 28 1.285 -8.778 -1.841 1.00 0.54 H new ATOM 0 HB2 SER B 28 1.974 -9.437 1.057 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.455 -9.830 0.278 1.00 0.61 H new ATOM 0 HG SER B 28 1.434 -11.600 -0.358 1.00 0.68 H new ATOM 1463 N ASN B 29 1.738 -6.161 -0.254 1.00 0.49 N ATOM 1464 CA ASN B 29 1.187 -4.895 0.231 1.00 0.50 C ATOM 1465 C ASN B 29 1.986 -3.718 -0.325 1.00 0.49 C ATOM 1466 O ASN B 29 3.205 -3.660 -0.172 1.00 0.49 O ATOM 1467 CB ASN B 29 1.206 -4.864 1.766 1.00 0.54 C ATOM 1468 CG ASN B 29 0.654 -3.571 2.345 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.240 -2.946 1.775 1.00 0.67 O ATOM 1470 ND2 ASN B 29 1.186 -3.166 3.492 1.00 0.83 N ATOM 0 H ASN B 29 2.726 -6.117 -0.504 1.00 0.49 H new ATOM 0 HA ASN B 29 0.156 -4.811 -0.113 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.624 -5.703 2.147 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.230 -5.002 2.113 1.00 0.54 H new ATOM 0 HD21 ASN B 29 0.855 -2.308 3.933 1.00 0.83 H new ATOM 0 HD22 ASN B 29 1.926 -3.713 3.932 1.00 0.83 H new ATOM 1477 N LEU B 30 1.293 -2.785 -0.973 1.00 0.53 N ATOM 1478 CA LEU B 30 1.944 -1.610 -1.546 1.00 0.55 C ATOM 1479 C LEU B 30 1.356 -0.326 -0.966 1.00 0.56 C ATOM 1480 O LEU B 30 0.208 0.021 -1.238 1.00 0.75 O ATOM 1481 CB LEU B 30 1.809 -1.612 -3.072 1.00 0.60 C ATOM 1482 CG LEU B 30 2.556 -0.486 -3.798 1.00 0.69 C ATOM 1483 CD1 LEU B 30 4.061 -0.651 -3.646 1.00 0.74 C ATOM 1484 CD2 LEU B 30 2.175 -0.456 -5.270 1.00 0.75 C ATOM 0 H LEU B 30 0.283 -2.819 -1.114 1.00 0.53 H new ATOM 0 HA LEU B 30 3.002 -1.650 -1.288 1.00 0.55 H new ATOM 0 HB2 LEU B 30 2.170 -2.568 -3.451 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.751 -1.547 -3.327 1.00 0.60 H new ATOM 0 HG LEU B 30 2.266 0.461 -3.343 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.570 0.159 -4.169 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.325 -0.623 -2.589 1.00 0.74 H new ATOM 0 HD13 LEU B 30 4.367 -1.607 -4.071 1.00 0.74 H new ATOM 0 HD21 LEU B 30 2.714 0.349 -5.769 1.00 0.75 H new ATOM 0 HD22 LEU B 30 2.435 -1.408 -5.733 1.00 0.75 H new ATOM 0 HD23 LEU B 30 1.102 -0.287 -5.365 1.00 0.75 H new ATOM 1496 N GLN B 31 2.152 0.374 -0.168 1.00 0.50 N ATOM 1497 CA GLN B 31 1.710 1.621 0.447 1.00 0.50 C ATOM 1498 C GLN B 31 2.386 2.818 -0.216 1.00 0.51 C ATOM 1499 O GLN B 31 3.615 2.913 -0.245 1.00 0.60 O ATOM 1500 CB GLN B 31 2.009 1.614 1.946 1.00 0.53 C ATOM 1501 CG GLN B 31 1.316 0.494 2.704 1.00 0.57 C ATOM 1502 CD GLN B 31 1.745 0.417 4.156 1.00 0.75 C ATOM 1503 OE1 GLN B 31 2.695 -0.288 4.499 1.00 1.08 O ATOM 1504 NE2 GLN B 31 1.048 1.147 5.020 1.00 1.01 N ATOM 0 H GLN B 31 3.106 0.101 0.069 1.00 0.50 H new ATOM 0 HA GLN B 31 0.633 1.707 0.304 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.086 1.527 2.092 1.00 0.53 H new ATOM 0 HB3 GLN B 31 1.706 2.570 2.372 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.237 0.641 2.656 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.530 -0.457 2.215 1.00 0.57 H new ATOM 0 HE21 GLN B 31 0.268 1.717 4.693 1.00 1.01 H new ATOM 0 HE22 GLN B 31 1.293 1.137 6.010 1.00 1.01 H new ATOM 1513 N VAL B 32 1.575 3.728 -0.754 1.00 0.49 N ATOM 1514 CA VAL B 32 2.092 4.916 -1.423 1.00 0.51 C ATOM 1515 C VAL B 32 1.805 6.177 -0.610 1.00 0.49 C ATOM 1516 O VAL B 32 0.651 6.555 -0.412 1.00 0.61 O ATOM 1517 CB VAL B 32 1.495 5.075 -2.838 1.00 0.56 C ATOM 1518 CG1 VAL B 32 2.177 6.210 -3.589 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.609 3.772 -3.617 1.00 0.59 C ATOM 0 H VAL B 32 0.557 3.663 -0.738 1.00 0.49 H new ATOM 0 HA VAL B 32 3.171 4.784 -1.510 1.00 0.51 H new ATOM 0 HB VAL B 32 0.439 5.323 -2.735 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.740 6.303 -4.583 1.00 0.61 H new ATOM 0 HG12 VAL B 32 2.038 7.143 -3.043 1.00 0.61 H new ATOM 0 HG13 VAL B 32 3.242 5.998 -3.680 1.00 0.61 H new ATOM 0 HG21 VAL B 32 1.183 3.904 -4.612 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.659 3.492 -3.706 1.00 0.59 H new ATOM 0 HG23 VAL B 32 1.067 2.985 -3.092 1.00 0.59 H new ATOM 1529 N PHE B 33 2.868 6.816 -0.140 1.00 0.48 N ATOM 1530 CA PHE B 33 2.755 8.039 0.645 1.00 0.48 C ATOM 1531 C PHE B 33 3.165 9.247 -0.192 1.00 0.50 C ATOM 1532 O PHE B 33 4.222 9.240 -0.823 1.00 0.56 O ATOM 1533 CB PHE B 33 3.647 7.957 1.891 1.00 0.53 C ATOM 1534 CG PHE B 33 3.220 6.919 2.895 1.00 0.57 C ATOM 1535 CD1 PHE B 33 3.592 5.592 2.744 1.00 0.65 C ATOM 1536 CD2 PHE B 33 2.458 7.276 3.996 1.00 0.70 C ATOM 1537 CE1 PHE B 33 3.209 4.641 3.670 1.00 0.78 C ATOM 1538 CE2 PHE B 33 2.073 6.329 4.926 1.00 0.85 C ATOM 1539 CZ PHE B 33 2.448 5.010 4.762 1.00 0.86 C ATOM 0 H PHE B 33 3.827 6.504 -0.291 1.00 0.48 H new ATOM 0 HA PHE B 33 1.716 8.152 0.953 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.669 7.743 1.578 1.00 0.53 H new ATOM 0 HB3 PHE B 33 3.660 8.932 2.378 1.00 0.53 H new ATOM 0 HD1 PHE B 33 4.188 5.298 1.893 1.00 0.65 H new ATOM 0 HD2 PHE B 33 2.162 8.306 4.129 1.00 0.70 H new ATOM 0 HE1 PHE B 33 3.504 3.610 3.540 1.00 0.78 H new ATOM 0 HE2 PHE B 33 1.480 6.620 5.780 1.00 0.85 H new ATOM 0 HZ PHE B 33 2.147 4.268 5.487 1.00 0.86 H new ATOM 1549 N ALA B 34 2.328 10.284 -0.202 1.00 0.50 N ATOM 1550 CA ALA B 34 2.629 11.493 -0.965 1.00 0.55 C ATOM 1551 C ALA B 34 3.531 12.440 -0.172 1.00 0.54 C ATOM 1552 O ALA B 34 4.169 12.035 0.802 1.00 0.58 O ATOM 1553 CB ALA B 34 1.344 12.200 -1.374 1.00 0.61 C ATOM 0 H ALA B 34 1.444 10.311 0.305 1.00 0.50 H new ATOM 0 HA ALA B 34 3.166 11.194 -1.865 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.588 13.098 -1.941 1.00 0.61 H new ATOM 0 HB2 ALA B 34 0.742 11.533 -1.991 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.781 12.476 -0.482 1.00 0.61 H new ATOM 1559 N ILE B 35 3.589 13.697 -0.604 1.00 0.60 N ATOM 1560 CA ILE B 35 4.405 14.706 0.060 1.00 0.63 C ATOM 1561 C ILE B 35 3.800 15.102 1.408 1.00 0.59 C ATOM 1562 O ILE B 35 2.649 15.537 1.480 1.00 0.63 O ATOM 1563 CB ILE B 35 4.568 15.958 -0.832 1.00 0.75 C ATOM 1564 CG1 ILE B 35 5.405 15.612 -2.068 1.00 0.90 C ATOM 1565 CG2 ILE B 35 5.199 17.106 -0.055 1.00 0.77 C ATOM 1566 CD1 ILE B 35 5.510 16.743 -3.069 1.00 1.10 C ATOM 0 H ILE B 35 3.077 14.041 -1.416 1.00 0.60 H new ATOM 0 HA ILE B 35 5.389 14.270 0.235 1.00 0.63 H new ATOM 0 HB ILE B 35 3.580 16.284 -1.156 1.00 0.75 H new ATOM 0 HG12 ILE B 35 6.408 15.327 -1.749 1.00 0.90 H new ATOM 0 HG13 ILE B 35 4.968 14.743 -2.560 1.00 0.90 H new ATOM 0 HG21 ILE B 35 5.302 17.973 -0.707 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.565 17.363 0.794 1.00 0.77 H new ATOM 0 HG23 ILE B 35 6.183 16.804 0.305 1.00 0.77 H new ATOM 0 HD11 ILE B 35 6.117 16.424 -3.916 1.00 1.10 H new ATOM 0 HD12 ILE B 35 4.513 17.014 -3.418 1.00 1.10 H new ATOM 0 HD13 ILE B 35 5.975 17.607 -2.594 1.00 1.10 H new ATOM 1578 N GLY B 36 4.583 14.937 2.470 1.00 0.58 N ATOM 1579 CA GLY B 36 4.116 15.275 3.802 1.00 0.59 C ATOM 1580 C GLY B 36 4.920 16.395 4.439 1.00 0.63 C ATOM 1581 O GLY B 36 5.712 17.053 3.763 1.00 0.63 O ATOM 0 H GLY B 36 5.535 14.574 2.431 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.068 15.569 3.751 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.168 14.390 4.436 1.00 0.59 H new ATOM 1585 N PRO B 37 4.732 16.634 5.751 1.00 0.67 N ATOM 1586 CA PRO B 37 5.444 17.685 6.487 1.00 0.73 C ATOM 1587 C PRO B 37 6.878 17.293 6.844 1.00 0.71 C ATOM 1588 O PRO B 37 7.648 18.117 7.339 1.00 0.77 O ATOM 1589 CB PRO B 37 4.612 17.856 7.771 1.00 0.79 C ATOM 1590 CG PRO B 37 3.411 16.977 7.612 1.00 0.77 C ATOM 1591 CD PRO B 37 3.797 15.917 6.625 1.00 0.69 C ATOM 0 HA PRO B 37 5.536 18.593 5.891 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.190 17.570 8.650 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.317 18.896 7.908 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.123 16.535 8.566 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.555 17.549 7.254 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.267 15.061 7.109 1.00 0.69 H new ATOM 0 HD3 PRO B 37 2.935 15.538 6.076 1.00 0.69 H new ATOM 1599 N GLN B 38 7.232 16.038 6.590 1.00 0.65 N ATOM 1600 CA GLN B 38 8.582 15.544 6.900 1.00 0.65 C ATOM 1601 C GLN B 38 9.408 15.222 5.645 1.00 0.61 C ATOM 1602 O GLN B 38 10.630 15.113 5.706 1.00 0.63 O ATOM 1603 CB GLN B 38 8.469 14.314 7.809 1.00 0.65 C ATOM 1604 CG GLN B 38 7.748 13.123 7.164 1.00 0.59 C ATOM 1605 CD GLN B 38 7.679 11.952 8.138 1.00 0.63 C ATOM 1606 OE1 GLN B 38 7.086 12.011 9.199 1.00 0.71 O ATOM 1607 NE2 GLN B 38 8.250 10.843 7.735 1.00 0.61 N ATOM 0 H GLN B 38 6.613 15.343 6.173 1.00 0.65 H new ATOM 0 HA GLN B 38 9.118 16.342 7.414 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.470 14.002 8.106 1.00 0.65 H new ATOM 0 HB3 GLN B 38 7.940 14.596 8.719 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.741 13.417 6.867 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.272 12.820 6.258 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.741 10.818 6.842 1.00 0.61 H new ATOM 0 HE22 GLN B 38 8.203 10.005 8.315 1.00 0.61 H new ATOM 1616 N CYS B 39 8.719 15.005 4.529 1.00 0.56 N ATOM 1617 CA CYS B 39 9.380 14.644 3.278 1.00 0.54 C ATOM 1618 C CYS B 39 8.729 15.350 2.094 1.00 0.59 C ATOM 1619 O CYS B 39 7.513 15.291 1.915 1.00 0.67 O ATOM 1620 CB CYS B 39 9.310 13.123 3.090 1.00 0.48 C ATOM 1621 SG CYS B 39 10.629 12.415 2.048 1.00 0.47 S ATOM 0 H CYS B 39 7.703 15.073 4.465 1.00 0.56 H new ATOM 0 HA CYS B 39 10.422 14.961 3.326 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.348 12.648 4.071 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.345 12.870 2.651 1.00 0.48 H new ATOM 1626 N SER B 40 9.549 16.012 1.282 1.00 0.64 N ATOM 1627 CA SER B 40 9.054 16.730 0.111 1.00 0.73 C ATOM 1628 C SER B 40 9.206 15.879 -1.152 1.00 0.72 C ATOM 1629 O SER B 40 9.168 16.392 -2.270 1.00 1.00 O ATOM 1630 CB SER B 40 9.805 18.054 -0.050 1.00 0.87 C ATOM 1631 OG SER B 40 9.143 18.910 -0.966 1.00 1.01 O ATOM 0 H SER B 40 10.559 16.066 1.413 1.00 0.64 H new ATOM 0 HA SER B 40 7.994 16.939 0.257 1.00 0.73 H new ATOM 0 HB2 SER B 40 9.889 18.548 0.918 1.00 0.87 H new ATOM 0 HB3 SER B 40 10.820 17.860 -0.398 1.00 0.87 H new ATOM 0 HG SER B 40 8.906 18.406 -1.772 1.00 1.01 H new ATOM 1637 N LYS B 41 9.365 14.572 -0.960 1.00 0.66 N ATOM 1638 CA LYS B 41 9.528 13.645 -2.073 1.00 0.64 C ATOM 1639 C LYS B 41 8.622 12.428 -1.903 1.00 0.61 C ATOM 1640 O LYS B 41 8.387 11.974 -0.782 1.00 0.61 O ATOM 1641 CB LYS B 41 10.992 13.197 -2.167 1.00 0.64 C ATOM 1642 CG LYS B 41 11.279 12.258 -3.330 1.00 0.71 C ATOM 1643 CD LYS B 41 12.724 11.784 -3.317 1.00 0.81 C ATOM 1644 CE LYS B 41 12.982 10.753 -4.404 1.00 0.97 C ATOM 1645 NZ LYS B 41 14.399 10.301 -4.418 1.00 1.16 N ATOM 0 H LYS B 41 9.384 14.131 -0.040 1.00 0.66 H new ATOM 0 HA LYS B 41 9.246 14.157 -2.993 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.626 14.079 -2.261 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.270 12.702 -1.237 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.612 11.398 -3.278 1.00 0.71 H new ATOM 0 HG3 LYS B 41 11.070 12.767 -4.271 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.389 12.636 -3.457 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.958 11.354 -2.343 1.00 0.81 H new ATOM 0 HE2 LYS B 41 12.329 9.894 -4.251 1.00 0.97 H new ATOM 0 HE3 LYS B 41 12.727 11.178 -5.375 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 14.532 9.599 -5.174 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 15.022 11.116 -4.589 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.635 9.872 -3.501 1.00 1.16 H new ATOM 1659 N VAL B 42 8.112 11.909 -3.018 1.00 0.61 N ATOM 1660 CA VAL B 42 7.245 10.737 -2.990 1.00 0.62 C ATOM 1661 C VAL B 42 8.071 9.460 -2.848 1.00 0.60 C ATOM 1662 O VAL B 42 9.008 9.222 -3.613 1.00 0.68 O ATOM 1663 CB VAL B 42 6.350 10.647 -4.248 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.288 11.736 -4.222 1.00 0.72 C ATOM 1665 CG2 VAL B 42 7.180 10.740 -5.522 1.00 0.78 C ATOM 0 H VAL B 42 8.285 12.283 -3.951 1.00 0.61 H new ATOM 0 HA VAL B 42 6.593 10.843 -2.123 1.00 0.62 H new ATOM 0 HB VAL B 42 5.855 9.676 -4.241 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.666 11.659 -5.114 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.666 11.617 -3.335 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.770 12.713 -4.199 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.524 10.674 -6.390 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.712 11.691 -5.541 1.00 0.78 H new ATOM 0 HG23 VAL B 42 7.899 9.922 -5.548 1.00 0.78 H new ATOM 1675 N GLU B 43 7.732 8.653 -1.851 1.00 0.56 N ATOM 1676 CA GLU B 43 8.448 7.408 -1.600 1.00 0.54 C ATOM 1677 C GLU B 43 7.483 6.231 -1.569 1.00 0.53 C ATOM 1678 O GLU B 43 6.403 6.317 -0.984 1.00 0.57 O ATOM 1679 CB GLU B 43 9.220 7.506 -0.280 1.00 0.54 C ATOM 1680 CG GLU B 43 9.941 8.836 -0.108 1.00 0.61 C ATOM 1681 CD GLU B 43 10.761 8.908 1.161 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.164 8.908 2.258 1.00 0.80 O ATOM 1683 OE2 GLU B 43 12.002 8.977 1.059 1.00 0.77 O ATOM 0 H GLU B 43 6.966 8.838 -1.203 1.00 0.56 H new ATOM 0 HA GLU B 43 9.158 7.243 -2.411 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.528 7.364 0.550 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.948 6.696 -0.230 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.594 9.002 -0.965 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.207 9.642 -0.105 1.00 0.61 H new ATOM 1690 N VAL B 44 7.875 5.131 -2.205 1.00 0.51 N ATOM 1691 CA VAL B 44 7.032 3.943 -2.260 1.00 0.51 C ATOM 1692 C VAL B 44 7.558 2.825 -1.360 1.00 0.49 C ATOM 1693 O VAL B 44 8.657 2.306 -1.555 1.00 0.53 O ATOM 1694 CB VAL B 44 6.866 3.421 -3.706 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.848 4.261 -4.463 1.00 0.60 C ATOM 1696 CG2 VAL B 44 8.198 3.411 -4.442 1.00 0.59 C ATOM 0 H VAL B 44 8.769 5.038 -2.688 1.00 0.51 H new ATOM 0 HA VAL B 44 6.053 4.248 -1.889 1.00 0.51 H new ATOM 0 HB VAL B 44 6.502 2.395 -3.653 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.744 3.879 -5.479 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.885 4.210 -3.956 1.00 0.60 H new ATOM 0 HG13 VAL B 44 6.185 5.297 -4.498 1.00 0.60 H new ATOM 0 HG21 VAL B 44 8.051 3.039 -5.456 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.600 4.424 -4.481 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.899 2.763 -3.916 1.00 0.59 H new ATOM 1706 N VAL B 45 6.750 2.477 -0.369 1.00 0.47 N ATOM 1707 CA VAL B 45 7.081 1.407 0.596 1.00 0.46 C ATOM 1708 C VAL B 45 6.274 0.124 0.290 1.00 0.48 C ATOM 1709 O VAL B 45 5.232 0.140 -0.367 1.00 0.51 O ATOM 1710 CB VAL B 45 6.944 1.867 2.068 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.382 3.301 2.266 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.534 1.962 2.600 1.00 0.62 C ATOM 0 H VAL B 45 5.846 2.919 -0.201 1.00 0.47 H new ATOM 0 HA VAL B 45 8.136 1.165 0.469 1.00 0.46 H new ATOM 0 HB VAL B 45 7.539 1.103 2.568 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.267 3.575 3.315 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.428 3.405 1.977 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.768 3.957 1.650 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.558 2.293 3.638 1.00 0.62 H new ATOM 0 HG22 VAL B 45 4.968 2.678 2.004 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.057 0.984 2.542 1.00 0.62 H new ATOM 1722 N ALA B 46 6.866 -1.005 0.627 1.00 0.48 N ATOM 1723 CA ALA B 46 6.239 -2.325 0.408 1.00 0.51 C ATOM 1724 C ALA B 46 6.501 -3.264 1.590 1.00 0.51 C ATOM 1725 O ALA B 46 7.479 -3.098 2.326 1.00 0.50 O ATOM 1726 CB ALA B 46 6.771 -2.947 -0.888 1.00 0.55 C ATOM 0 H ALA B 46 7.789 -1.050 1.058 1.00 0.48 H new ATOM 0 HA ALA B 46 5.162 -2.182 0.323 1.00 0.51 H new ATOM 0 HB1 ALA B 46 6.304 -3.920 -1.043 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.536 -2.294 -1.728 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.852 -3.070 -0.816 1.00 0.55 H new ATOM 1732 N SER B 47 5.589 -4.207 1.770 1.00 0.54 N ATOM 1733 CA SER B 47 5.707 -5.243 2.812 1.00 0.57 C ATOM 1734 C SER B 47 5.635 -6.639 2.191 1.00 0.60 C ATOM 1735 O SER B 47 4.761 -6.945 1.368 1.00 0.63 O ATOM 1736 CB SER B 47 4.599 -5.113 3.859 1.00 0.60 C ATOM 1737 OG SER B 47 4.595 -3.789 4.401 1.00 0.58 O ATOM 0 H SER B 47 4.744 -4.285 1.204 1.00 0.54 H new ATOM 0 HA SER B 47 6.672 -5.101 3.298 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.632 -5.333 3.407 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.752 -5.841 4.656 1.00 0.60 H new ATOM 0 HG SER B 47 3.883 -3.711 5.069 1.00 0.58 H new ATOM 1743 N LEU B 48 6.573 -7.485 2.602 1.00 0.62 N ATOM 1744 CA LEU B 48 6.653 -8.854 2.112 1.00 0.67 C ATOM 1745 C LEU B 48 5.683 -9.759 2.865 1.00 0.71 C ATOM 1746 O LEU B 48 5.093 -9.355 3.869 1.00 0.70 O ATOM 1747 CB LEU B 48 8.084 -9.392 2.260 1.00 0.68 C ATOM 1748 CG LEU B 48 9.108 -8.842 1.263 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.623 -7.479 1.704 1.00 0.70 C ATOM 1750 CD2 LEU B 48 10.262 -9.819 1.096 1.00 0.75 C ATOM 0 H LEU B 48 7.295 -7.242 3.280 1.00 0.62 H new ATOM 0 HA LEU B 48 6.379 -8.850 1.057 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.433 -9.172 3.269 1.00 0.68 H new ATOM 0 HB3 LEU B 48 8.056 -10.477 2.162 1.00 0.68 H new ATOM 0 HG LEU B 48 8.612 -8.719 0.300 1.00 0.70 H new ATOM 0 HD11 LEU B 48 10.349 -7.112 0.978 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.790 -6.779 1.770 1.00 0.70 H new ATOM 0 HD13 LEU B 48 10.100 -7.569 2.680 1.00 0.70 H new ATOM 0 HD21 LEU B 48 10.981 -9.414 0.384 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.751 -9.973 2.058 1.00 0.75 H new ATOM 0 HD23 LEU B 48 9.882 -10.771 0.726 1.00 0.75 H new ATOM 1762 N LYS B 49 5.527 -10.987 2.376 1.00 0.76 N ATOM 1763 CA LYS B 49 4.636 -11.957 3.004 1.00 0.82 C ATOM 1764 C LYS B 49 5.286 -12.548 4.257 1.00 0.84 C ATOM 1765 O LYS B 49 4.613 -13.148 5.097 1.00 0.89 O ATOM 1766 CB LYS B 49 4.284 -13.071 2.010 1.00 0.89 C ATOM 1767 CG LYS B 49 3.141 -13.966 2.465 1.00 0.98 C ATOM 1768 CD LYS B 49 1.822 -13.210 2.519 1.00 1.05 C ATOM 1769 CE LYS B 49 0.690 -14.095 3.021 1.00 1.23 C ATOM 1770 NZ LYS B 49 0.906 -14.527 4.430 1.00 1.27 N ATOM 0 H LYS B 49 6.007 -11.333 1.545 1.00 0.76 H new ATOM 0 HA LYS B 49 3.719 -11.448 3.299 1.00 0.82 H new ATOM 0 HB2 LYS B 49 4.021 -12.620 1.053 1.00 0.89 H new ATOM 0 HB3 LYS B 49 5.168 -13.686 1.840 1.00 0.89 H new ATOM 0 HG2 LYS B 49 3.048 -14.812 1.784 1.00 0.98 H new ATOM 0 HG3 LYS B 49 3.368 -14.373 3.450 1.00 0.98 H new ATOM 0 HD2 LYS B 49 1.925 -12.344 3.173 1.00 1.05 H new ATOM 0 HD3 LYS B 49 1.577 -12.833 1.526 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -0.254 -13.554 2.948 1.00 1.23 H new ATOM 0 HE3 LYS B 49 0.605 -14.973 2.381 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 0.027 -14.936 4.806 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 1.662 -15.241 4.462 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 1.180 -13.706 5.007 1.00 1.27 H new ATOM 1784 N ASN B 50 6.599 -12.361 4.377 1.00 0.81 N ATOM 1785 CA ASN B 50 7.352 -12.864 5.521 1.00 0.84 C ATOM 1786 C ASN B 50 7.193 -11.938 6.727 1.00 0.80 C ATOM 1787 O ASN B 50 7.451 -12.335 7.863 1.00 0.97 O ATOM 1788 CB ASN B 50 8.834 -13.001 5.163 1.00 0.86 C ATOM 1789 CG ASN B 50 9.068 -13.931 3.985 1.00 0.94 C ATOM 1790 OD1 ASN B 50 8.333 -14.899 3.788 1.00 0.99 O ATOM 1791 ND2 ASN B 50 10.093 -13.639 3.196 1.00 0.97 N ATOM 0 H ASN B 50 7.165 -11.862 3.691 1.00 0.81 H new ATOM 0 HA ASN B 50 6.955 -13.845 5.782 1.00 0.84 H new ATOM 0 HB2 ASN B 50 9.240 -12.017 4.930 1.00 0.86 H new ATOM 0 HB3 ASN B 50 9.380 -13.374 6.029 1.00 0.86 H new ATOM 0 HD21 ASN B 50 10.298 -14.227 2.388 1.00 0.97 H new ATOM 0 HD22 ASN B 50 10.676 -12.827 3.397 1.00 0.97 H new ATOM 1798 N GLY B 51 6.766 -10.704 6.471 1.00 0.67 N ATOM 1799 CA GLY B 51 6.578 -9.741 7.541 1.00 0.65 C ATOM 1800 C GLY B 51 7.708 -8.734 7.624 1.00 0.60 C ATOM 1801 O GLY B 51 8.236 -8.475 8.704 1.00 0.67 O ATOM 0 H GLY B 51 6.546 -10.354 5.538 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.636 -9.213 7.389 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.497 -10.270 8.491 1.00 0.65 H new ATOM 1805 N LYS B 52 8.080 -8.168 6.478 1.00 0.57 N ATOM 1806 CA LYS B 52 9.157 -7.182 6.423 1.00 0.55 C ATOM 1807 C LYS B 52 8.733 -5.950 5.631 1.00 0.51 C ATOM 1808 O LYS B 52 7.815 -6.010 4.818 1.00 0.60 O ATOM 1809 CB LYS B 52 10.409 -7.794 5.790 1.00 0.59 C ATOM 1810 CG LYS B 52 11.140 -8.774 6.696 1.00 0.66 C ATOM 1811 CD LYS B 52 12.393 -9.327 6.031 1.00 0.79 C ATOM 1812 CE LYS B 52 13.438 -8.244 5.806 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.682 -8.789 5.198 1.00 1.05 N ATOM 0 H LYS B 52 7.652 -8.375 5.576 1.00 0.57 H new ATOM 0 HA LYS B 52 9.382 -6.878 7.445 1.00 0.55 H new ATOM 0 HB2 LYS B 52 10.126 -8.306 4.870 1.00 0.59 H new ATOM 0 HB3 LYS B 52 11.093 -6.992 5.511 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.411 -8.276 7.627 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.473 -9.596 6.957 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.816 -10.117 6.652 1.00 0.79 H new ATOM 0 HD3 LYS B 52 12.128 -9.780 5.076 1.00 0.79 H new ATOM 0 HE2 LYS B 52 13.026 -7.471 5.157 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.677 -7.768 6.757 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 15.368 -8.019 5.061 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 15.090 -9.508 5.828 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.459 -9.221 4.279 1.00 1.05 H new ATOM 1827 N GLU B 53 9.412 -4.836 5.876 1.00 0.53 N ATOM 1828 CA GLU B 53 9.123 -3.572 5.181 1.00 0.50 C ATOM 1829 C GLU B 53 10.423 -2.949 4.662 1.00 0.50 C ATOM 1830 O GLU B 53 11.422 -2.850 5.382 1.00 0.52 O ATOM 1831 CB GLU B 53 8.398 -2.611 6.132 1.00 0.51 C ATOM 1832 CG GLU B 53 9.290 -2.177 7.304 1.00 0.66 C ATOM 1833 CD GLU B 53 8.541 -1.414 8.380 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.610 -2.022 8.946 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.975 -0.276 8.662 1.00 0.71 O ATOM 0 H GLU B 53 10.172 -4.775 6.553 1.00 0.53 H new ATOM 0 HA GLU B 53 8.475 -3.769 4.327 1.00 0.50 H new ATOM 0 HB2 GLU B 53 8.073 -1.730 5.578 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.500 -3.093 6.519 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.749 -3.060 7.748 1.00 0.66 H new ATOM 0 HG3 GLU B 53 10.099 -1.554 6.924 1.00 0.66 H new ATOM 1842 N ILE B 54 10.399 -2.602 3.395 1.00 0.47 N ATOM 1843 CA ILE B 54 11.559 -1.951 2.756 1.00 0.47 C ATOM 1844 C ILE B 54 11.110 -0.662 2.052 1.00 0.45 C ATOM 1845 O ILE B 54 9.918 -0.344 1.992 1.00 0.43 O ATOM 1846 CB ILE B 54 12.286 -2.928 1.811 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.369 -3.371 0.656 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.874 -4.106 2.611 1.00 0.52 C ATOM 1849 CD1 ILE B 54 12.059 -4.206 -0.426 1.00 0.49 C ATOM 0 H ILE B 54 9.602 -2.751 2.776 1.00 0.47 H new ATOM 0 HA ILE B 54 12.284 -1.669 3.519 1.00 0.47 H new ATOM 0 HB ILE B 54 13.126 -2.415 1.343 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.541 -3.948 1.068 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.938 -2.484 0.191 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.385 -4.788 1.932 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.584 -3.728 3.347 1.00 0.52 H new ATOM 0 HG23 ILE B 54 12.070 -4.636 3.122 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.336 -4.472 -1.197 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.868 -3.627 -0.871 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.465 -5.114 0.019 1.00 0.49 H new ATOM 1861 N CYS B 55 12.085 0.003 1.451 1.00 0.45 N ATOM 1862 CA CYS B 55 11.847 1.229 0.681 1.00 0.44 C ATOM 1863 C CYS B 55 12.462 1.081 -0.704 1.00 0.45 C ATOM 1864 O CYS B 55 13.598 0.645 -0.863 1.00 0.48 O ATOM 1865 CB CYS B 55 12.497 2.420 1.376 1.00 0.44 C ATOM 1866 SG CYS B 55 11.690 2.879 2.950 1.00 0.44 S ATOM 0 H CYS B 55 13.063 -0.285 1.479 1.00 0.45 H new ATOM 0 HA CYS B 55 10.772 1.393 0.604 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.545 2.190 1.568 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.477 3.278 0.704 1.00 0.44 H new ATOM 1871 N LEU B 56 11.709 1.543 -1.676 1.00 0.44 N ATOM 1872 CA LEU B 56 12.124 1.455 -3.072 1.00 0.47 C ATOM 1873 C LEU B 56 12.357 2.874 -3.605 1.00 0.48 C ATOM 1874 O LEU B 56 11.737 3.841 -3.149 1.00 0.46 O ATOM 1875 CB LEU B 56 10.986 0.690 -3.762 1.00 0.46 C ATOM 1876 CG LEU B 56 10.671 -0.730 -3.270 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.673 -1.374 -4.232 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.921 -1.604 -3.141 1.00 0.49 C ATOM 0 H LEU B 56 10.802 1.986 -1.533 1.00 0.44 H new ATOM 0 HA LEU B 56 13.064 0.931 -3.244 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.078 1.285 -3.668 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.219 0.631 -4.825 1.00 0.46 H new ATOM 0 HG LEU B 56 10.245 -0.652 -2.270 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.441 -2.384 -3.893 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.759 -0.781 -4.259 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.107 -1.417 -5.231 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.637 -2.596 -2.790 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.407 -1.689 -4.113 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.610 -1.150 -2.429 1.00 0.49 H new ATOM 1890 N ASP B 57 13.230 3.009 -4.595 1.00 0.50 N ATOM 1891 CA ASP B 57 13.490 4.317 -5.193 1.00 0.52 C ATOM 1892 C ASP B 57 12.730 4.449 -6.513 1.00 0.54 C ATOM 1893 O ASP B 57 13.036 3.747 -7.478 1.00 0.59 O ATOM 1894 CB ASP B 57 14.985 4.523 -5.432 1.00 0.57 C ATOM 1895 CG ASP B 57 15.405 5.961 -5.200 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.875 6.854 -5.894 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.258 6.196 -4.320 1.00 0.63 O ATOM 0 H ASP B 57 13.766 2.240 -4.999 1.00 0.50 H new ATOM 0 HA ASP B 57 13.145 5.083 -4.499 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.551 3.869 -4.769 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.232 4.234 -6.453 1.00 0.57 H new ATOM 1902 N PRO B 58 11.730 5.359 -6.578 1.00 0.55 N ATOM 1903 CA PRO B 58 10.921 5.574 -7.789 1.00 0.61 C ATOM 1904 C PRO B 58 11.726 6.157 -8.948 1.00 0.69 C ATOM 1905 O PRO B 58 11.226 6.278 -10.067 1.00 0.83 O ATOM 1906 CB PRO B 58 9.847 6.577 -7.349 1.00 0.64 C ATOM 1907 CG PRO B 58 9.908 6.624 -5.862 1.00 0.60 C ATOM 1908 CD PRO B 58 11.311 6.248 -5.480 1.00 0.57 C ATOM 0 HA PRO B 58 10.522 4.630 -8.161 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.035 7.561 -7.778 1.00 0.64 H new ATOM 0 HB3 PRO B 58 8.860 6.264 -7.689 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.660 7.620 -5.495 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.188 5.934 -5.422 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.956 7.123 -5.402 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.344 5.741 -4.516 1.00 0.57 H new ATOM 1916 N GLU B 59 12.972 6.521 -8.665 1.00 0.65 N ATOM 1917 CA GLU B 59 13.856 7.094 -9.666 1.00 0.77 C ATOM 1918 C GLU B 59 14.424 6.009 -10.583 1.00 0.82 C ATOM 1919 O GLU B 59 14.977 6.311 -11.643 1.00 0.91 O ATOM 1920 CB GLU B 59 14.990 7.858 -8.975 1.00 0.83 C ATOM 1921 CG GLU B 59 15.842 8.694 -9.915 1.00 1.10 C ATOM 1922 CD GLU B 59 16.966 9.411 -9.190 1.00 1.18 C ATOM 1923 OE1 GLU B 59 18.002 8.768 -8.917 1.00 1.40 O ATOM 1924 OE2 GLU B 59 16.812 10.614 -8.889 1.00 1.28 O ATOM 0 H GLU B 59 13.393 6.427 -7.741 1.00 0.65 H new ATOM 0 HA GLU B 59 13.281 7.785 -10.283 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.562 8.510 -8.214 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.632 7.144 -8.459 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.263 8.051 -10.688 1.00 1.10 H new ATOM 0 HG3 GLU B 59 15.211 9.427 -10.418 1.00 1.10 H new ATOM 1931 N ALA B 60 14.281 4.740 -10.186 1.00 0.80 N ATOM 1932 CA ALA B 60 14.802 3.646 -11.008 1.00 0.88 C ATOM 1933 C ALA B 60 13.685 3.037 -11.876 1.00 0.91 C ATOM 1934 O ALA B 60 12.616 2.698 -11.361 1.00 0.89 O ATOM 1935 CB ALA B 60 15.423 2.612 -10.073 1.00 0.88 C ATOM 0 H ALA B 60 13.821 4.451 -9.323 1.00 0.80 H new ATOM 0 HA ALA B 60 15.563 4.014 -11.697 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.820 1.783 -10.659 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.230 3.074 -9.504 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.663 2.239 -9.387 1.00 0.88 H new ATOM 1941 N PRO B 61 13.979 2.797 -13.160 1.00 0.99 N ATOM 1942 CA PRO B 61 13.013 2.240 -14.130 1.00 1.03 C ATOM 1943 C PRO B 61 12.578 0.806 -13.803 1.00 1.03 C ATOM 1944 O PRO B 61 11.384 0.524 -13.741 1.00 1.01 O ATOM 1945 CB PRO B 61 13.730 2.322 -15.479 1.00 1.15 C ATOM 1946 CG PRO B 61 15.206 2.195 -15.107 1.00 1.19 C ATOM 1947 CD PRO B 61 15.302 2.975 -13.797 1.00 1.07 C ATOM 0 HA PRO B 61 12.079 2.802 -14.116 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.415 1.523 -16.150 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.524 3.264 -15.987 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.501 1.154 -14.979 1.00 1.19 H new ATOM 0 HG3 PRO B 61 15.853 2.617 -15.876 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.102 2.590 -13.164 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.517 4.028 -13.977 1.00 1.07 H new ATOM 1955 N PHE B 62 13.541 -0.025 -13.394 1.00 1.06 N ATOM 1956 CA PHE B 62 13.271 -1.418 -12.978 1.00 1.08 C ATOM 1957 C PHE B 62 12.325 -1.480 -11.775 1.00 0.98 C ATOM 1958 O PHE B 62 11.551 -2.420 -11.619 1.00 0.98 O ATOM 1959 CB PHE B 62 14.569 -2.166 -12.648 1.00 1.15 C ATOM 1960 CG PHE B 62 15.317 -1.581 -11.447 1.00 1.11 C ATOM 1961 CD1 PHE B 62 15.024 -2.021 -10.163 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.309 -0.633 -11.655 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.726 -1.516 -9.082 1.00 1.07 C ATOM 1964 CE2 PHE B 62 17.022 -0.137 -10.573 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.723 -0.570 -9.287 1.00 1.10 C ATOM 0 H PHE B 62 14.525 0.239 -13.339 1.00 1.06 H new ATOM 0 HA PHE B 62 12.787 -1.905 -13.824 1.00 1.08 H new ATOM 0 HB2 PHE B 62 14.337 -3.212 -12.448 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.223 -2.146 -13.520 1.00 1.15 H new ATOM 0 HD1 PHE B 62 14.249 -2.757 -10.008 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.525 -0.283 -12.654 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.499 -1.856 -8.082 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.809 0.585 -10.730 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.267 -0.170 -8.444 1.00 1.10 H new ATOM 1975 N LEU B 63 12.324 -0.418 -10.988 1.00 0.90 N ATOM 1976 CA LEU B 63 11.456 -0.332 -9.835 1.00 0.80 C ATOM 1977 C LEU B 63 10.024 -0.012 -10.269 1.00 0.83 C ATOM 1978 O LEU B 63 9.067 -0.432 -9.626 1.00 0.83 O ATOM 1979 CB LEU B 63 11.963 0.733 -8.880 1.00 0.71 C ATOM 1980 CG LEU B 63 11.611 0.491 -7.424 1.00 0.64 C ATOM 1981 CD1 LEU B 63 12.884 0.413 -6.599 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.681 1.590 -6.923 1.00 0.62 C ATOM 0 H LEU B 63 12.919 0.398 -11.131 1.00 0.90 H new ATOM 0 HA LEU B 63 11.458 -1.295 -9.324 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.047 0.800 -8.972 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.557 1.698 -9.183 1.00 0.71 H new ATOM 0 HG LEU B 63 11.084 -0.458 -7.324 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.630 0.239 -5.553 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.504 -0.407 -6.963 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.433 1.350 -6.688 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.433 1.408 -5.877 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.176 2.556 -7.016 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.767 1.592 -7.517 1.00 0.62 H new ATOM 1994 N LYS B 64 9.895 0.729 -11.371 1.00 0.87 N ATOM 1995 CA LYS B 64 8.589 1.104 -11.918 1.00 0.93 C ATOM 1996 C LYS B 64 7.926 -0.101 -12.601 1.00 0.97 C ATOM 1997 O LYS B 64 6.709 -0.145 -12.781 1.00 1.03 O ATOM 1998 CB LYS B 64 8.751 2.261 -12.911 1.00 1.02 C ATOM 1999 CG LYS B 64 7.458 2.681 -13.595 1.00 1.12 C ATOM 2000 CD LYS B 64 7.720 3.600 -14.780 1.00 1.30 C ATOM 2001 CE LYS B 64 8.317 2.844 -15.959 1.00 1.47 C ATOM 2002 NZ LYS B 64 8.520 3.727 -17.140 1.00 1.71 N ATOM 0 H LYS B 64 10.687 1.084 -11.907 1.00 0.87 H new ATOM 0 HA LYS B 64 7.946 1.429 -11.100 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.167 3.121 -12.385 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.475 1.972 -13.673 1.00 1.02 H new ATOM 0 HG2 LYS B 64 6.921 1.795 -13.934 1.00 1.12 H new ATOM 0 HG3 LYS B 64 6.814 3.188 -12.876 1.00 1.12 H new ATOM 0 HD2 LYS B 64 6.787 4.073 -15.086 1.00 1.30 H new ATOM 0 HD3 LYS B 64 8.399 4.398 -14.478 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.271 2.407 -15.664 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.659 2.019 -16.232 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 8.928 3.174 -17.921 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 7.606 4.124 -17.438 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 9.168 4.500 -16.888 1.00 1.71 H new ATOM 2016 N LYS B 65 8.751 -1.070 -12.975 1.00 0.98 N ATOM 2017 CA LYS B 65 8.281 -2.304 -13.630 1.00 1.04 C ATOM 2018 C LYS B 65 7.659 -3.304 -12.652 1.00 1.02 C ATOM 2019 O LYS B 65 6.473 -3.612 -12.749 1.00 1.07 O ATOM 2020 CB LYS B 65 9.445 -2.968 -14.358 1.00 1.07 C ATOM 2021 CG LYS B 65 9.960 -2.094 -15.502 1.00 1.14 C ATOM 2022 CD LYS B 65 11.048 -2.820 -16.296 1.00 1.20 C ATOM 2023 CE LYS B 65 10.523 -4.064 -17.025 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.505 -3.717 -18.027 1.00 1.36 N ATOM 0 H LYS B 65 9.761 -1.033 -12.838 1.00 0.98 H new ATOM 0 HA LYS B 65 7.499 -2.013 -14.331 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.254 -3.161 -13.653 1.00 1.07 H new ATOM 0 HB3 LYS B 65 9.127 -3.934 -14.751 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.135 -1.831 -16.164 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.357 -1.161 -15.102 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.479 -2.133 -17.024 1.00 1.20 H new ATOM 0 HD3 LYS B 65 11.851 -3.113 -15.619 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.352 -4.578 -17.511 1.00 1.27 H new ATOM 0 HE3 LYS B 65 10.098 -4.759 -16.300 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.297 -4.550 -18.613 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.637 -3.406 -17.546 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 9.860 -2.949 -18.631 1.00 1.36 H new ATOM 2038 N VAL B 66 8.447 -3.684 -11.646 1.00 0.96 N ATOM 2039 CA VAL B 66 8.000 -4.613 -10.619 1.00 0.95 C ATOM 2040 C VAL B 66 6.761 -4.083 -9.883 1.00 0.95 C ATOM 2041 O VAL B 66 5.939 -4.870 -9.416 1.00 0.97 O ATOM 2042 CB VAL B 66 9.124 -4.921 -9.604 1.00 0.92 C ATOM 2043 CG1 VAL B 66 10.305 -5.573 -10.309 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.571 -3.664 -8.872 1.00 0.91 C ATOM 0 H VAL B 66 9.405 -3.357 -11.524 1.00 0.96 H new ATOM 0 HA VAL B 66 7.731 -5.539 -11.127 1.00 0.95 H new ATOM 0 HB VAL B 66 8.727 -5.614 -8.862 1.00 0.92 H new ATOM 0 HG11 VAL B 66 11.090 -5.785 -9.583 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.982 -6.503 -10.776 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.690 -4.898 -11.073 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.362 -3.916 -8.166 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.946 -2.937 -9.593 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.726 -3.237 -8.332 1.00 0.91 H new ATOM 2054 N ILE B 67 6.618 -2.753 -9.781 1.00 0.95 N ATOM 2055 CA ILE B 67 5.443 -2.180 -9.124 1.00 0.97 C ATOM 2056 C ILE B 67 4.256 -2.187 -10.081 1.00 1.02 C ATOM 2057 O ILE B 67 3.103 -2.211 -9.646 1.00 1.08 O ATOM 2058 CB ILE B 67 5.664 -0.751 -8.575 1.00 0.99 C ATOM 2059 CG1 ILE B 67 5.989 0.230 -9.701 1.00 1.00 C ATOM 2060 CG2 ILE B 67 6.763 -0.753 -7.520 1.00 0.98 C ATOM 2061 CD1 ILE B 67 5.989 1.681 -9.266 1.00 1.07 C ATOM 0 H ILE B 67 7.287 -2.071 -10.137 1.00 0.95 H new ATOM 0 HA ILE B 67 5.242 -2.812 -8.259 1.00 0.97 H new ATOM 0 HB ILE B 67 4.737 -0.419 -8.107 1.00 0.99 H new ATOM 0 HG12 ILE B 67 6.967 -0.016 -10.114 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.263 0.101 -10.504 1.00 1.00 H new ATOM 0 HG21 ILE B 67 6.907 0.259 -7.143 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.477 -1.409 -6.698 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.692 -1.111 -7.963 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.228 2.316 -10.119 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.004 1.945 -8.881 1.00 1.07 H new ATOM 0 HD13 ILE B 67 6.735 1.827 -8.485 1.00 1.07 H new ATOM 2073 N GLN B 68 4.537 -2.158 -11.389 1.00 1.04 N ATOM 2074 CA GLN B 68 3.461 -2.227 -12.393 1.00 1.12 C ATOM 2075 C GLN B 68 2.805 -3.617 -12.380 1.00 1.11 C ATOM 2076 O GLN B 68 1.579 -3.732 -12.370 1.00 1.15 O ATOM 2077 CB GLN B 68 4.028 -1.933 -13.775 1.00 1.19 C ATOM 2078 CG GLN B 68 2.908 -1.810 -14.801 1.00 1.30 C ATOM 2079 CD GLN B 68 3.483 -1.486 -16.175 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.344 -2.156 -16.722 1.00 1.39 O ATOM 2081 NE2 GLN B 68 2.949 -0.435 -16.752 1.00 1.52 N ATOM 0 H GLN B 68 5.479 -2.089 -11.775 1.00 1.04 H new ATOM 0 HA GLN B 68 2.703 -1.482 -12.149 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.606 -1.009 -13.748 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.712 -2.729 -14.070 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.343 -2.741 -14.846 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.211 -1.029 -14.497 1.00 1.30 H new ATOM 0 HE21 GLN B 68 2.231 0.103 -16.267 1.00 1.52 H new ATOM 0 HE22 GLN B 68 3.252 -0.157 -17.685 1.00 1.52 H new ATOM 2090 N LYS B 69 3.644 -4.650 -12.273 1.00 1.10 N ATOM 2091 CA LYS B 69 3.198 -6.046 -12.261 1.00 1.13 C ATOM 2092 C LYS B 69 2.198 -6.363 -11.140 1.00 1.15 C ATOM 2093 O LYS B 69 1.348 -7.234 -11.307 1.00 1.23 O ATOM 2094 CB LYS B 69 4.403 -6.977 -12.130 1.00 1.11 C ATOM 2095 CG LYS B 69 5.312 -6.985 -13.347 1.00 1.16 C ATOM 2096 CD LYS B 69 6.446 -7.983 -13.179 1.00 1.24 C ATOM 2097 CE LYS B 69 7.354 -8.008 -14.396 1.00 1.40 C ATOM 2098 NZ LYS B 69 8.421 -9.040 -14.271 1.00 1.61 N ATOM 0 H LYS B 69 4.655 -4.542 -12.192 1.00 1.10 H new ATOM 0 HA LYS B 69 2.681 -6.206 -13.207 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.984 -6.681 -11.257 1.00 1.11 H new ATOM 0 HB3 LYS B 69 4.048 -7.991 -11.948 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.732 -7.235 -14.236 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.722 -5.987 -13.504 1.00 1.16 H new ATOM 0 HD2 LYS B 69 7.029 -7.726 -12.295 1.00 1.24 H new ATOM 0 HD3 LYS B 69 6.034 -8.978 -13.011 1.00 1.24 H new ATOM 0 HE2 LYS B 69 6.760 -8.206 -15.288 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.811 -7.027 -14.528 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 9.019 -9.025 -15.121 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 9.004 -8.837 -13.434 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 7.986 -9.979 -14.170 1.00 1.61 H new ATOM 2112 N ILE B 70 2.298 -5.682 -9.997 1.00 1.14 N ATOM 2113 CA ILE B 70 1.372 -5.943 -8.887 1.00 1.20 C ATOM 2114 C ILE B 70 0.011 -5.295 -9.131 1.00 1.31 C ATOM 2115 O ILE B 70 -0.963 -5.600 -8.442 1.00 1.43 O ATOM 2116 CB ILE B 70 1.912 -5.467 -7.518 1.00 1.18 C ATOM 2117 CG1 ILE B 70 3.268 -4.772 -7.665 1.00 1.17 C ATOM 2118 CG2 ILE B 70 2.014 -6.646 -6.561 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.818 -4.233 -6.360 1.00 1.30 C ATOM 0 H ILE B 70 2.995 -4.960 -9.814 1.00 1.14 H new ATOM 0 HA ILE B 70 1.267 -7.027 -8.851 1.00 1.20 H new ATOM 0 HB ILE B 70 1.212 -4.738 -7.109 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.984 -5.477 -8.088 1.00 1.17 H new ATOM 0 HG13 ILE B 70 3.171 -3.951 -8.375 1.00 1.17 H new ATOM 0 HG21 ILE B 70 2.395 -6.302 -5.599 1.00 1.29 H new ATOM 0 HG22 ILE B 70 1.028 -7.089 -6.423 1.00 1.29 H new ATOM 0 HG23 ILE B 70 2.692 -7.392 -6.974 1.00 1.29 H new ATOM 0 HD11 ILE B 70 4.780 -3.754 -6.541 1.00 1.30 H new ATOM 0 HD12 ILE B 70 3.122 -3.504 -5.945 1.00 1.30 H new ATOM 0 HD13 ILE B 70 3.948 -5.053 -5.654 1.00 1.30 H new