USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=17 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: A 29 ASN : amide:sc=0.000153 X(o=0.0039,f=-0.11) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0.00377 USER MOD Single : A 17 GLN : amide:sc= -0.527 K(o=-0.53,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot -134:sc= -2.81! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.299 USER MOD Single : A 20 GLN : amide:sc= -1.15 K(o=-1.2,f=-2.8!) USER MOD Single : A 23 HIS : no HD1:sc= -3.65! 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 -154:sc= 0 (180deg=-0.137) USER MOD Single : A 28 SER OG : rot 110:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.488 X(o=-0.49,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= 0.0274 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.0574 (180deg=-0.319) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.52) 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= -0.0103 (180deg=-0.148) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -0.59 K(o=-0.59,f=-4.3!) USER MOD Single : B 18 THR OG1 : rot 59:sc= -2.05! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.305 USER MOD Single : B 20 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : B 23 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl -139:sc= -0.0494 (180deg=-0.748) USER MOD Single : B 28 SER OG : rot -130:sc= -0.0338 USER MOD Single : B 29 ASN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : B 40 SER OG : rot -54:sc= 0.23 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 163:sc= -0.0541 (180deg=-0.346) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.57) 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= -0.0099 (180deg=-0.127) USER MOD Single : B 68 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.575 -18.882 14.912 1.00 0.81 N ATOM 2 CA LEU A 8 -8.152 -19.347 13.630 1.00 0.78 C ATOM 3 C LEU A 8 -9.618 -19.787 13.839 1.00 0.78 C ATOM 4 O LEU A 8 -9.929 -20.938 14.141 1.00 0.80 O ATOM 5 CB LEU A 8 -7.276 -20.475 13.058 1.00 0.80 C ATOM 6 CG LEU A 8 -7.649 -20.959 11.642 1.00 0.78 C ATOM 7 CD1 LEU A 8 -6.423 -21.604 11.002 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.750 -22.024 11.630 1.00 0.78 C ATOM 0 HA LEU A 8 -8.164 -18.534 12.904 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -6.241 -20.135 13.045 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -7.323 -21.326 13.737 1.00 0.80 H new ATOM 0 HG LEU A 8 -8.006 -20.080 11.105 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.675 -21.950 10.000 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.617 -20.873 10.941 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -6.099 -22.451 11.607 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.961 -22.318 10.602 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -8.420 -22.895 12.196 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.654 -21.618 12.084 1.00 0.78 H new ATOM 20 N ARG A 9 -10.468 -18.775 13.899 1.00 0.76 N ATOM 21 CA ARG A 9 -11.913 -18.992 14.097 1.00 0.76 C ATOM 22 C ARG A 9 -12.740 -18.191 13.091 1.00 0.72 C ATOM 23 O ARG A 9 -13.400 -18.758 12.225 1.00 0.71 O ATOM 24 CB ARG A 9 -12.333 -18.748 15.558 1.00 0.79 C ATOM 25 CG ARG A 9 -12.008 -17.346 16.081 1.00 0.78 C ATOM 26 CD ARG A 9 -12.632 -17.095 17.451 1.00 0.82 C ATOM 27 NE ARG A 9 -12.363 -15.702 17.861 1.00 0.81 N ATOM 28 CZ ARG A 9 -11.208 -15.210 18.310 1.00 0.83 C ATOM 29 NH1 ARG A 9 -10.124 -15.968 18.432 1.00 0.84 N ATOM 30 NH2 ARG A 9 -11.135 -13.941 18.693 1.00 0.83 N ATOM 0 H ARG A 9 -10.196 -17.796 13.815 1.00 0.76 H new ATOM 0 HA ARG A 9 -12.124 -20.043 13.899 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -13.406 -18.917 15.648 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.840 -19.484 16.193 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -10.927 -17.224 16.146 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -12.371 -16.601 15.374 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.707 -17.274 17.412 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -12.219 -17.788 18.184 1.00 0.82 H new ATOM 0 HE ARG A 9 -13.143 -15.048 17.794 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -10.161 -16.955 18.179 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -9.255 -15.563 18.779 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -11.961 -13.345 18.643 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -10.253 -13.562 19.037 1.00 0.83 H new ATOM 44 N GLU A 10 -12.651 -16.862 13.200 1.00 0.70 N ATOM 45 CA GLU A 10 -13.465 -15.919 12.422 1.00 0.67 C ATOM 46 C GLU A 10 -12.721 -14.594 12.246 1.00 0.65 C ATOM 47 O GLU A 10 -12.338 -13.946 13.219 1.00 0.67 O ATOM 48 CB GLU A 10 -14.785 -15.644 13.148 1.00 0.69 C ATOM 49 CG GLU A 10 -15.680 -16.886 13.243 1.00 0.71 C ATOM 50 CD GLU A 10 -17.029 -16.618 13.907 1.00 0.73 C ATOM 51 OE1 GLU A 10 -17.503 -15.462 13.818 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.573 -17.587 14.476 1.00 0.76 O ATOM 0 H GLU A 10 -12.003 -16.403 13.840 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.661 -16.362 11.446 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.573 -15.277 14.152 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -15.323 -14.853 12.627 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.850 -17.279 12.241 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -15.156 -17.659 13.804 1.00 0.71 H new ATOM 59 N LEU A 11 -12.408 -14.322 10.992 1.00 0.62 N ATOM 60 CA LEU A 11 -11.713 -13.085 10.594 1.00 0.60 C ATOM 61 C LEU A 11 -12.502 -12.361 9.504 1.00 0.57 C ATOM 62 O LEU A 11 -13.047 -12.984 8.591 1.00 0.56 O ATOM 63 CB LEU A 11 -10.314 -13.431 10.090 1.00 0.60 C ATOM 64 CG LEU A 11 -9.458 -14.050 11.196 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.904 -15.398 10.734 1.00 0.65 C ATOM 66 CD2 LEU A 11 -8.332 -13.096 11.592 1.00 0.64 C ATOM 0 H LEU A 11 -12.623 -14.944 10.213 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.633 -12.424 11.457 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -10.389 -14.126 9.254 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.829 -12.531 9.713 1.00 0.60 H new ATOM 0 HG LEU A 11 -10.078 -14.219 12.076 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -8.295 -15.832 11.527 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.730 -16.070 10.501 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -8.291 -15.254 9.844 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.731 -13.550 12.380 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.702 -12.896 10.725 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.758 -12.160 11.954 1.00 0.64 H new ATOM 78 N ARG A 12 -12.526 -11.049 9.639 1.00 0.56 N ATOM 79 CA ARG A 12 -13.301 -10.170 8.743 1.00 0.54 C ATOM 80 C ARG A 12 -12.329 -9.454 7.812 1.00 0.51 C ATOM 81 O ARG A 12 -11.207 -9.128 8.206 1.00 0.51 O ATOM 82 CB ARG A 12 -14.068 -9.127 9.577 1.00 0.55 C ATOM 83 CG ARG A 12 -14.778 -9.683 10.821 1.00 0.59 C ATOM 84 CD ARG A 12 -15.641 -10.896 10.472 1.00 0.59 C ATOM 85 NE ARG A 12 -16.427 -11.347 11.621 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.739 -11.159 11.668 1.00 0.65 C ATOM 87 NH1 ARG A 12 -18.239 -9.992 12.048 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.547 -12.177 11.428 1.00 0.66 N ATOM 0 H ARG A 12 -12.015 -10.550 10.367 1.00 0.56 H new ATOM 0 HA ARG A 12 -14.013 -10.760 8.166 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -13.370 -8.352 9.892 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.810 -8.648 8.938 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -14.038 -9.964 11.570 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -15.401 -8.906 11.265 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -16.310 -10.643 9.650 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -15.003 -11.709 10.125 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.958 -11.813 12.398 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.613 -9.229 12.307 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -19.249 -9.857 12.081 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -18.160 -13.095 11.210 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.558 -12.045 11.461 1.00 0.66 H new ATOM 102 N CYS A 13 -12.776 -9.205 6.583 1.00 0.49 N ATOM 103 CA CYS A 13 -12.003 -8.388 5.630 1.00 0.47 C ATOM 104 C CYS A 13 -11.673 -7.024 6.259 1.00 0.47 C ATOM 105 O CYS A 13 -12.412 -6.526 7.107 1.00 0.48 O ATOM 106 CB CYS A 13 -12.824 -8.182 4.358 1.00 0.47 C ATOM 107 SG CYS A 13 -12.891 -9.641 3.255 1.00 0.48 S ATOM 0 H CYS A 13 -13.663 -9.552 6.218 1.00 0.49 H new ATOM 0 HA CYS A 13 -11.073 -8.901 5.385 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.841 -7.906 4.637 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.407 -7.342 3.803 1.00 0.47 H new ATOM 112 N VAL A 14 -10.551 -6.445 5.834 1.00 0.45 N ATOM 113 CA VAL A 14 -10.138 -5.103 6.318 1.00 0.45 C ATOM 114 C VAL A 14 -11.196 -4.028 5.983 1.00 0.44 C ATOM 115 O VAL A 14 -11.367 -3.046 6.699 1.00 0.45 O ATOM 116 CB VAL A 14 -8.713 -4.740 5.835 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.559 -4.566 4.321 1.00 0.43 C ATOM 118 CG2 VAL A 14 -8.178 -3.484 6.529 1.00 0.45 C ATOM 0 H VAL A 14 -9.909 -6.868 5.163 1.00 0.45 H new ATOM 0 HA VAL A 14 -10.084 -5.137 7.406 1.00 0.45 H new ATOM 0 HB VAL A 14 -8.125 -5.614 6.114 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.525 -4.313 4.087 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.828 -5.495 3.819 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -9.215 -3.765 3.978 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -7.176 -3.264 6.161 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.836 -2.642 6.315 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -8.141 -3.651 7.606 1.00 0.45 H new ATOM 128 N CYS A 15 -11.880 -4.255 4.866 1.00 0.44 N ATOM 129 CA CYS A 15 -12.950 -3.390 4.348 1.00 0.44 C ATOM 130 C CYS A 15 -14.276 -4.141 4.261 1.00 0.46 C ATOM 131 O CYS A 15 -14.448 -5.022 3.420 1.00 0.46 O ATOM 132 CB CYS A 15 -12.595 -2.909 2.946 1.00 0.43 C ATOM 133 SG CYS A 15 -11.291 -1.647 2.945 1.00 0.42 S ATOM 0 H CYS A 15 -11.705 -5.067 4.275 1.00 0.44 H new ATOM 0 HA CYS A 15 -13.051 -2.549 5.034 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.272 -3.760 2.346 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.487 -2.503 2.469 1.00 0.43 H new ATOM 138 N LEU A 16 -15.146 -3.836 5.213 1.00 0.48 N ATOM 139 CA LEU A 16 -16.514 -4.391 5.214 1.00 0.51 C ATOM 140 C LEU A 16 -17.492 -3.628 4.306 1.00 0.53 C ATOM 141 O LEU A 16 -18.382 -4.223 3.691 1.00 0.55 O ATOM 142 CB LEU A 16 -17.057 -4.479 6.645 1.00 0.54 C ATOM 143 CG LEU A 16 -16.279 -5.483 7.511 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.830 -5.461 8.937 1.00 0.57 C ATOM 145 CD2 LEU A 16 -16.352 -6.909 6.948 1.00 0.53 C ATOM 0 H LEU A 16 -14.942 -3.213 5.994 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.436 -5.393 4.793 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -17.012 -3.493 7.108 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -18.107 -4.769 6.614 1.00 0.54 H new ATOM 0 HG LEU A 16 -15.231 -5.183 7.508 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -16.278 -6.173 9.551 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.720 -4.460 9.354 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.885 -5.734 8.924 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.788 -7.584 7.592 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.392 -7.231 6.907 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.927 -6.926 5.944 1.00 0.53 H new ATOM 157 N GLN A 17 -17.286 -2.333 4.208 1.00 0.53 N ATOM 158 CA GLN A 17 -18.109 -1.412 3.414 1.00 0.55 C ATOM 159 C GLN A 17 -17.298 -0.878 2.218 1.00 0.53 C ATOM 160 O GLN A 17 -16.126 -1.198 2.034 1.00 0.50 O ATOM 161 CB GLN A 17 -18.637 -0.265 4.298 1.00 0.57 C ATOM 162 CG GLN A 17 -17.588 0.748 4.788 1.00 0.56 C ATOM 163 CD GLN A 17 -16.600 0.215 5.836 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.660 -0.876 6.377 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.636 1.033 6.176 1.00 0.53 N ATOM 0 H GLN A 17 -16.519 -1.865 4.690 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.972 -1.950 3.022 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.401 0.275 3.739 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -19.127 -0.700 5.169 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -17.022 1.105 3.928 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -18.107 1.610 5.207 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.567 1.951 5.736 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.954 0.753 6.881 1.00 0.53 H new ATOM 174 N THR A 18 -17.961 -0.019 1.467 1.00 0.56 N ATOM 175 CA THR A 18 -17.378 0.642 0.287 1.00 0.55 C ATOM 176 C THR A 18 -17.572 2.168 0.346 1.00 0.57 C ATOM 177 O THR A 18 -18.096 2.713 1.320 1.00 0.58 O ATOM 178 CB THR A 18 -17.990 -0.004 -0.967 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.324 0.518 -2.114 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.507 0.198 -1.096 1.00 0.62 C ATOM 0 H THR A 18 -18.928 0.250 1.650 1.00 0.56 H new ATOM 0 HA THR A 18 -16.298 0.498 0.259 1.00 0.55 H new ATOM 0 HB THR A 18 -17.846 -1.081 -0.881 1.00 0.57 H new ATOM 0 HG1 THR A 18 -17.986 0.765 -2.793 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.863 -0.287 -2.005 1.00 0.62 H new ATOM 0 HG22 THR A 18 -20.007 -0.240 -0.232 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.729 1.264 -1.142 1.00 0.62 H new ATOM 188 N THR A 19 -17.234 2.834 -0.753 1.00 0.57 N ATOM 189 CA THR A 19 -17.331 4.291 -0.939 1.00 0.59 C ATOM 190 C THR A 19 -17.390 4.631 -2.439 1.00 0.61 C ATOM 191 O THR A 19 -16.877 3.902 -3.295 1.00 0.60 O ATOM 192 CB THR A 19 -16.128 4.986 -0.261 1.00 0.56 C ATOM 193 OG1 THR A 19 -16.103 4.658 1.132 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.149 6.512 -0.376 1.00 0.58 C ATOM 0 H THR A 19 -16.868 2.359 -1.578 1.00 0.57 H new ATOM 0 HA THR A 19 -18.247 4.654 -0.473 1.00 0.59 H new ATOM 0 HB THR A 19 -15.244 4.623 -0.785 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.537 3.871 1.273 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.273 6.927 0.124 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.136 6.798 -1.428 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.053 6.900 0.094 1.00 0.58 H new ATOM 202 N GLN A 20 -18.031 5.759 -2.703 1.00 0.65 N ATOM 203 CA GLN A 20 -18.189 6.357 -4.032 1.00 0.68 C ATOM 204 C GLN A 20 -17.760 7.827 -4.058 1.00 0.68 C ATOM 205 O GLN A 20 -18.553 8.768 -4.098 1.00 0.72 O ATOM 206 CB GLN A 20 -19.619 6.152 -4.570 1.00 0.72 C ATOM 207 CG GLN A 20 -20.767 6.838 -3.819 1.00 0.75 C ATOM 208 CD GLN A 20 -21.002 6.349 -2.388 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.558 5.321 -1.902 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.801 7.097 -1.668 1.00 0.76 N ATOM 0 H GLN A 20 -18.476 6.311 -1.970 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.514 5.833 -4.708 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.641 6.496 -5.604 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.821 5.081 -4.586 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.570 7.910 -3.791 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.686 6.697 -4.388 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.181 7.959 -2.058 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -22.043 6.817 -0.717 1.00 0.76 H new ATOM 219 N GLY A 21 -16.440 7.991 -3.977 1.00 0.65 N ATOM 220 CA GLY A 21 -15.865 9.327 -4.113 1.00 0.65 C ATOM 221 C GLY A 21 -15.676 9.697 -5.599 1.00 0.68 C ATOM 222 O GLY A 21 -15.890 8.846 -6.454 1.00 0.69 O ATOM 0 H GLY A 21 -15.767 7.240 -3.823 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.515 10.058 -3.632 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -14.905 9.368 -3.599 1.00 0.65 H new ATOM 226 N VAL A 22 -15.120 10.843 -5.976 1.00 0.69 N ATOM 227 CA VAL A 22 -14.416 11.973 -5.300 1.00 0.68 C ATOM 228 C VAL A 22 -13.219 12.342 -6.202 1.00 0.67 C ATOM 229 O VAL A 22 -13.054 11.783 -7.282 1.00 0.68 O ATOM 230 CB VAL A 22 -13.963 11.729 -3.831 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.793 10.742 -3.666 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.762 13.023 -3.035 1.00 0.65 C ATOM 0 H VAL A 22 -15.154 11.057 -6.973 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.133 12.786 -5.188 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.814 11.218 -3.381 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.551 10.638 -2.608 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.077 9.770 -4.070 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -11.922 11.118 -4.203 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.447 12.781 -2.020 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -12.997 13.632 -3.517 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.699 13.578 -3.001 1.00 0.65 H new ATOM 242 N HIS A 23 -12.348 13.227 -5.731 1.00 0.66 N ATOM 243 CA HIS A 23 -11.120 13.574 -6.448 1.00 0.66 C ATOM 244 C HIS A 23 -9.886 13.187 -5.605 1.00 0.62 C ATOM 245 O HIS A 23 -9.901 13.379 -4.384 1.00 0.60 O ATOM 246 CB HIS A 23 -11.144 15.070 -6.781 1.00 0.69 C ATOM 247 CG HIS A 23 -10.040 15.449 -7.773 1.00 0.70 C ATOM 248 ND1 HIS A 23 -8.760 15.622 -7.463 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.178 15.700 -9.071 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.103 15.994 -8.559 1.00 0.70 C ATOM 251 NE2 HIS A 23 -8.983 16.042 -9.554 1.00 0.73 N ATOM 0 H HIS A 23 -12.469 13.723 -4.848 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.057 13.017 -7.383 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.115 15.334 -7.200 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.024 15.648 -5.865 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.097 15.638 -9.635 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.048 16.216 -8.627 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.779 16.297 -10.520 1.00 0.73 H new ATOM 259 N PRO A 24 -8.820 12.717 -6.276 1.00 0.61 N ATOM 260 CA PRO A 24 -7.509 12.411 -5.668 1.00 0.58 C ATOM 261 C PRO A 24 -6.961 13.564 -4.830 1.00 0.58 C ATOM 262 O PRO A 24 -6.128 13.332 -3.966 1.00 0.56 O ATOM 263 CB PRO A 24 -6.549 12.255 -6.841 1.00 0.60 C ATOM 264 CG PRO A 24 -7.434 11.740 -7.961 1.00 0.62 C ATOM 265 CD PRO A 24 -8.774 12.423 -7.724 1.00 0.64 C ATOM 0 HA PRO A 24 -7.612 11.537 -5.025 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.080 13.203 -7.104 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.745 11.555 -6.611 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.026 11.993 -8.939 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.529 10.655 -7.926 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -8.858 13.337 -8.312 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.601 11.777 -8.019 1.00 0.64 H new ATOM 273 N LYS A 25 -7.432 14.783 -5.093 1.00 0.61 N ATOM 274 CA LYS A 25 -7.027 16.005 -4.385 1.00 0.61 C ATOM 275 C LYS A 25 -7.136 15.868 -2.856 1.00 0.59 C ATOM 276 O LYS A 25 -6.354 16.457 -2.120 1.00 0.59 O ATOM 277 CB LYS A 25 -7.909 17.159 -4.860 1.00 0.65 C ATOM 278 CG LYS A 25 -7.084 18.439 -4.969 1.00 0.67 C ATOM 279 CD LYS A 25 -7.904 19.632 -5.466 1.00 0.70 C ATOM 280 CE LYS A 25 -8.912 20.111 -4.420 1.00 0.71 C ATOM 281 NZ LYS A 25 -8.793 21.563 -4.245 1.00 0.74 N ATOM 0 H LYS A 25 -8.124 14.956 -5.822 1.00 0.61 H new ATOM 0 HA LYS A 25 -5.978 16.193 -4.613 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.348 16.917 -5.828 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.734 17.307 -4.163 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.660 18.677 -3.994 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.248 18.270 -5.648 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.233 20.451 -5.724 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.432 19.354 -6.378 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -9.924 19.855 -4.733 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -8.734 19.605 -3.471 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.480 21.884 -3.533 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -7.831 21.797 -3.928 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -8.984 22.039 -5.150 1.00 0.74 H new ATOM 295 N MET A 26 -8.070 15.020 -2.420 1.00 0.58 N ATOM 296 CA MET A 26 -8.263 14.691 -0.994 1.00 0.58 C ATOM 297 C MET A 26 -7.396 13.515 -0.515 1.00 0.54 C ATOM 298 O MET A 26 -7.188 13.325 0.688 1.00 0.54 O ATOM 299 CB MET A 26 -9.745 14.423 -0.721 1.00 0.59 C ATOM 300 CG MET A 26 -10.613 15.673 -0.931 1.00 0.67 C ATOM 301 SD MET A 26 -10.381 16.980 0.332 1.00 0.79 S ATOM 302 CE MET A 26 -9.363 18.154 -0.540 1.00 1.08 C ATOM 0 H MET A 26 -8.719 14.538 -3.042 1.00 0.58 H new ATOM 0 HA MET A 26 -7.933 15.556 -0.419 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.095 13.626 -1.378 1.00 0.59 H new ATOM 0 HB3 MET A 26 -9.865 14.068 0.303 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.393 16.091 -1.913 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.661 15.375 -0.939 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.776 18.730 0.176 1.00 1.08 H new ATOM 0 HE2 MET A 26 -8.692 17.623 -1.215 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.997 18.829 -1.115 1.00 1.08 H new ATOM 312 N ILE A 27 -6.910 12.714 -1.455 1.00 0.52 N ATOM 313 CA ILE A 27 -6.085 11.551 -1.130 1.00 0.50 C ATOM 314 C ILE A 27 -4.626 11.950 -0.899 1.00 0.51 C ATOM 315 O ILE A 27 -4.076 12.775 -1.627 1.00 0.58 O ATOM 316 CB ILE A 27 -6.144 10.487 -2.254 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.597 10.179 -2.636 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.419 9.211 -1.837 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.439 9.644 -1.494 1.00 0.57 C ATOM 0 H ILE A 27 -7.072 12.847 -2.453 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.490 11.126 -0.212 1.00 0.50 H new ATOM 0 HB ILE A 27 -5.638 10.895 -3.129 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.061 11.088 -3.020 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -7.601 9.452 -3.448 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.475 8.480 -2.644 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.374 9.439 -1.626 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -5.889 8.801 -0.943 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.452 9.452 -1.848 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.002 8.717 -1.123 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.469 10.378 -0.689 1.00 0.57 H new ATOM 331 N SER A 28 -4.007 11.356 0.122 1.00 0.49 N ATOM 332 CA SER A 28 -2.614 11.638 0.452 1.00 0.54 C ATOM 333 C SER A 28 -1.837 10.338 0.666 1.00 0.55 C ATOM 334 O SER A 28 -0.741 10.164 0.139 1.00 0.69 O ATOM 335 CB SER A 28 -2.535 12.512 1.707 1.00 0.61 C ATOM 336 OG SER A 28 -3.205 13.747 1.514 1.00 0.69 O ATOM 0 H SER A 28 -4.453 10.674 0.736 1.00 0.49 H new ATOM 0 HA SER A 28 -2.164 12.176 -0.383 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.978 11.983 2.551 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.491 12.697 1.960 1.00 0.61 H new ATOM 0 HG SER A 28 -4.022 13.764 2.055 1.00 0.69 H new ATOM 342 N ASN A 29 -2.418 9.426 1.438 1.00 0.51 N ATOM 343 CA ASN A 29 -1.789 8.137 1.721 1.00 0.51 C ATOM 344 C ASN A 29 -2.660 6.996 1.196 1.00 0.50 C ATOM 345 O ASN A 29 -3.885 7.048 1.294 1.00 0.51 O ATOM 346 CB ASN A 29 -1.555 7.990 3.233 1.00 0.54 C ATOM 347 CG ASN A 29 -1.196 6.575 3.654 1.00 0.57 C ATOM 348 OD1 ASN A 29 -0.042 6.160 3.553 1.00 0.64 O ATOM 349 ND2 ASN A 29 -2.182 5.831 4.143 1.00 0.78 N ATOM 0 H ASN A 29 -3.327 9.555 1.882 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.825 8.092 1.213 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -0.755 8.665 3.537 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.454 8.302 3.764 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -1.996 4.877 4.452 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -3.125 6.214 4.210 1.00 0.78 H new ATOM 356 N LEU A 30 -2.025 5.976 0.629 1.00 0.54 N ATOM 357 CA LEU A 30 -2.746 4.829 0.087 1.00 0.56 C ATOM 358 C LEU A 30 -2.124 3.522 0.571 1.00 0.57 C ATOM 359 O LEU A 30 -0.917 3.441 0.776 1.00 0.74 O ATOM 360 CB LEU A 30 -2.745 4.871 -1.445 1.00 0.60 C ATOM 361 CG LEU A 30 -3.651 3.842 -2.123 1.00 0.67 C ATOM 362 CD1 LEU A 30 -5.004 4.454 -2.449 1.00 0.69 C ATOM 363 CD2 LEU A 30 -2.994 3.293 -3.382 1.00 0.73 C ATOM 0 H LEU A 30 -1.011 5.920 0.533 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.775 4.878 0.442 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -3.049 5.867 -1.766 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.724 4.721 -1.796 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.806 3.015 -1.431 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.635 3.707 -2.931 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.481 4.793 -1.529 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -4.868 5.301 -3.121 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.655 2.563 -3.849 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -2.805 4.109 -4.079 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -2.051 2.813 -3.121 1.00 0.73 H new ATOM 375 N GLN A 31 -2.957 2.503 0.759 1.00 0.50 N ATOM 376 CA GLN A 31 -2.482 1.198 1.210 1.00 0.51 C ATOM 377 C GLN A 31 -3.161 0.076 0.433 1.00 0.52 C ATOM 378 O GLN A 31 -4.389 0.001 0.369 1.00 0.61 O ATOM 379 CB GLN A 31 -2.729 1.018 2.710 1.00 0.54 C ATOM 380 CG GLN A 31 -1.736 1.759 3.592 1.00 0.61 C ATOM 381 CD GLN A 31 -1.930 1.463 5.068 1.00 0.84 C ATOM 382 OE1 GLN A 31 -2.684 2.148 5.756 1.00 1.16 O ATOM 383 NE2 GLN A 31 -1.246 0.436 5.561 1.00 1.16 N ATOM 0 H GLN A 31 -3.964 2.555 0.606 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.409 1.152 1.024 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.736 1.361 2.946 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.690 -0.045 2.950 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -0.722 1.485 3.301 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -1.837 2.831 3.424 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -0.631 -0.106 4.954 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -1.336 0.189 6.547 1.00 1.16 H new ATOM 392 N VAL A 32 -2.349 -0.791 -0.161 1.00 0.49 N ATOM 393 CA VAL A 32 -2.857 -1.913 -0.936 1.00 0.51 C ATOM 394 C VAL A 32 -2.617 -3.226 -0.206 1.00 0.50 C ATOM 395 O VAL A 32 -1.491 -3.542 0.175 1.00 0.61 O ATOM 396 CB VAL A 32 -2.207 -1.978 -2.333 1.00 0.56 C ATOM 397 CG1 VAL A 32 -2.824 -3.094 -3.163 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.344 -0.641 -3.044 1.00 0.59 C ATOM 0 H VAL A 32 -1.331 -0.736 -0.119 1.00 0.49 H new ATOM 0 HA VAL A 32 -3.929 -1.758 -1.059 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.146 -2.195 -2.209 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.351 -3.122 -4.144 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -2.672 -4.049 -2.660 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -3.892 -2.912 -3.280 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -1.880 -0.703 -4.028 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.400 -0.395 -3.155 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.850 0.135 -2.459 1.00 0.59 H new ATOM 408 N PHE A 33 -3.687 -3.986 -0.016 1.00 0.48 N ATOM 409 CA PHE A 33 -3.614 -5.269 0.668 1.00 0.49 C ATOM 410 C PHE A 33 -4.006 -6.400 -0.275 1.00 0.52 C ATOM 411 O PHE A 33 -5.110 -6.403 -0.827 1.00 0.57 O ATOM 412 CB PHE A 33 -4.535 -5.269 1.892 1.00 0.52 C ATOM 413 CG PHE A 33 -4.141 -4.274 2.947 1.00 0.53 C ATOM 414 CD1 PHE A 33 -3.192 -4.602 3.901 1.00 0.63 C ATOM 415 CD2 PHE A 33 -4.718 -3.014 2.987 1.00 0.60 C ATOM 416 CE1 PHE A 33 -2.824 -3.692 4.873 1.00 0.73 C ATOM 417 CE2 PHE A 33 -4.355 -2.101 3.959 1.00 0.68 C ATOM 418 CZ PHE A 33 -3.407 -2.442 4.903 1.00 0.72 C ATOM 0 H PHE A 33 -4.624 -3.733 -0.329 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.586 -5.426 0.996 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.554 -5.057 1.568 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.541 -6.267 2.331 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -2.735 -5.580 3.885 1.00 0.63 H new ATOM 0 HD2 PHE A 33 -5.460 -2.743 2.250 1.00 0.60 H new ATOM 0 HE1 PHE A 33 -2.080 -3.959 5.609 1.00 0.73 H new ATOM 0 HE2 PHE A 33 -4.812 -1.123 3.980 1.00 0.68 H new ATOM 0 HZ PHE A 33 -3.122 -1.731 5.664 1.00 0.72 H new ATOM 428 N ALA A 34 -3.102 -7.357 -0.464 1.00 0.53 N ATOM 429 CA ALA A 34 -3.368 -8.493 -1.343 1.00 0.58 C ATOM 430 C ALA A 34 -4.173 -9.578 -0.624 1.00 0.58 C ATOM 431 O ALA A 34 -4.903 -9.296 0.329 1.00 0.62 O ATOM 432 CB ALA A 34 -2.062 -9.059 -1.882 1.00 0.66 C ATOM 0 H ALA A 34 -2.182 -7.370 -0.023 1.00 0.53 H new ATOM 0 HA ALA A 34 -3.969 -8.139 -2.181 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.274 -9.905 -2.536 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.536 -8.288 -2.446 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.439 -9.390 -1.051 1.00 0.66 H new ATOM 438 N ILE A 35 -4.042 -10.817 -1.095 1.00 0.63 N ATOM 439 CA ILE A 35 -4.748 -11.949 -0.505 1.00 0.65 C ATOM 440 C ILE A 35 -4.191 -12.285 0.879 1.00 0.62 C ATOM 441 O ILE A 35 -3.008 -12.596 1.026 1.00 0.68 O ATOM 442 CB ILE A 35 -4.652 -13.192 -1.418 1.00 0.77 C ATOM 443 CG1 ILE A 35 -5.235 -12.874 -2.800 1.00 0.91 C ATOM 444 CG2 ILE A 35 -5.372 -14.381 -0.792 1.00 0.80 C ATOM 445 CD1 ILE A 35 -5.021 -13.975 -3.819 1.00 1.14 C ATOM 0 H ILE A 35 -3.449 -11.061 -1.888 1.00 0.63 H new ATOM 0 HA ILE A 35 -5.795 -11.664 -0.401 1.00 0.65 H new ATOM 0 HB ILE A 35 -3.601 -13.458 -1.533 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -6.304 -12.687 -2.699 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -4.784 -11.954 -3.172 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -5.291 -15.244 -1.453 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -4.917 -14.616 0.170 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -6.423 -14.134 -0.645 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -5.460 -13.679 -4.772 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -3.953 -14.147 -3.949 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -5.496 -14.892 -3.470 1.00 1.14 H new ATOM 457 N GLY A 36 -5.054 -12.213 1.892 1.00 0.61 N ATOM 458 CA GLY A 36 -4.636 -12.504 3.250 1.00 0.63 C ATOM 459 C GLY A 36 -5.459 -13.604 3.896 1.00 0.65 C ATOM 460 O GLY A 36 -6.304 -14.215 3.240 1.00 0.66 O ATOM 0 H GLY A 36 -6.037 -11.958 1.793 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.586 -12.796 3.247 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.713 -11.598 3.851 1.00 0.63 H new ATOM 464 N PRO A 37 -5.229 -13.880 5.195 1.00 0.69 N ATOM 465 CA PRO A 37 -5.953 -14.921 5.941 1.00 0.74 C ATOM 466 C PRO A 37 -7.360 -14.492 6.355 1.00 0.72 C ATOM 467 O PRO A 37 -8.153 -15.307 6.826 1.00 0.77 O ATOM 468 CB PRO A 37 -5.080 -15.142 7.191 1.00 0.81 C ATOM 469 CG PRO A 37 -3.853 -14.308 7.002 1.00 0.79 C ATOM 470 CD PRO A 37 -4.232 -13.217 6.045 1.00 0.71 C ATOM 0 HA PRO A 37 -6.099 -15.814 5.333 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.614 -14.848 8.095 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.821 -16.195 7.302 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.514 -13.893 7.951 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -3.033 -14.906 6.605 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.648 -12.351 6.560 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.376 -12.865 5.469 1.00 0.71 H new ATOM 478 N GLN A 38 -7.667 -13.210 6.178 1.00 0.66 N ATOM 479 CA GLN A 38 -8.985 -12.674 6.546 1.00 0.65 C ATOM 480 C GLN A 38 -9.840 -12.291 5.327 1.00 0.61 C ATOM 481 O GLN A 38 -11.054 -12.139 5.433 1.00 0.62 O ATOM 482 CB GLN A 38 -8.793 -11.472 7.477 1.00 0.65 C ATOM 483 CG GLN A 38 -8.050 -10.296 6.834 1.00 0.60 C ATOM 484 CD GLN A 38 -7.902 -9.149 7.831 1.00 0.63 C ATOM 485 OE1 GLN A 38 -7.277 -9.255 8.870 1.00 0.73 O ATOM 486 NE2 GLN A 38 -8.443 -8.010 7.474 1.00 0.61 N ATOM 0 H GLN A 38 -7.027 -12.521 5.784 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.535 -13.463 7.060 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.770 -11.129 7.816 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -8.244 -11.795 8.362 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -7.066 -10.621 6.495 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.593 -9.953 5.953 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.963 -7.944 6.599 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -8.345 -7.189 8.071 1.00 0.61 H new ATOM 495 N CYS A 39 -9.182 -12.077 4.189 1.00 0.57 N ATOM 496 CA CYS A 39 -9.874 -11.664 2.973 1.00 0.55 C ATOM 497 C CYS A 39 -9.185 -12.217 1.731 1.00 0.61 C ATOM 498 O CYS A 39 -7.980 -12.041 1.548 1.00 0.71 O ATOM 499 CB CYS A 39 -9.908 -10.130 2.910 1.00 0.49 C ATOM 500 SG CYS A 39 -11.316 -9.429 1.990 1.00 0.47 S ATOM 0 H CYS A 39 -8.173 -12.183 4.085 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.889 -12.060 2.998 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.928 -9.740 3.928 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.983 -9.779 2.452 1.00 0.49 H new ATOM 505 N SER A 40 -9.955 -12.887 0.878 1.00 0.67 N ATOM 506 CA SER A 40 -9.416 -13.455 -0.355 1.00 0.78 C ATOM 507 C SER A 40 -9.424 -12.414 -1.469 1.00 0.74 C ATOM 508 O SER A 40 -8.591 -12.448 -2.375 1.00 0.97 O ATOM 509 CB SER A 40 -10.228 -14.682 -0.777 1.00 0.92 C ATOM 510 OG SER A 40 -9.634 -15.330 -1.888 1.00 1.07 O ATOM 0 H SER A 40 -10.952 -13.050 1.017 1.00 0.67 H new ATOM 0 HA SER A 40 -8.387 -13.762 -0.170 1.00 0.78 H new ATOM 0 HB2 SER A 40 -10.300 -15.379 0.058 1.00 0.92 H new ATOM 0 HB3 SER A 40 -11.245 -14.380 -1.029 1.00 0.92 H new ATOM 0 HG SER A 40 -10.171 -16.111 -2.137 1.00 1.07 H new ATOM 516 N LYS A 41 -10.375 -11.488 -1.387 1.00 0.72 N ATOM 517 CA LYS A 41 -10.509 -10.424 -2.374 1.00 0.69 C ATOM 518 C LYS A 41 -9.614 -9.245 -2.013 1.00 0.68 C ATOM 519 O LYS A 41 -9.458 -8.911 -0.838 1.00 0.70 O ATOM 520 CB LYS A 41 -11.968 -9.963 -2.454 1.00 0.68 C ATOM 521 CG LYS A 41 -12.219 -8.868 -3.481 1.00 0.77 C ATOM 522 CD LYS A 41 -13.608 -8.269 -3.324 1.00 0.88 C ATOM 523 CE LYS A 41 -13.820 -7.100 -4.273 1.00 1.07 C ATOM 524 NZ LYS A 41 -15.158 -6.472 -4.092 1.00 1.29 N ATOM 0 H LYS A 41 -11.069 -11.455 -0.640 1.00 0.72 H new ATOM 0 HA LYS A 41 -10.202 -10.812 -3.345 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.596 -10.821 -2.693 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -12.279 -9.604 -1.473 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -11.469 -8.085 -3.371 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -12.109 -9.277 -4.485 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -14.360 -9.035 -3.515 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -13.747 -7.935 -2.296 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -13.043 -6.353 -4.108 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -13.717 -7.445 -5.302 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.123 -5.482 -4.409 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -15.864 -6.990 -4.653 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -15.424 -6.504 -3.087 1.00 1.29 H new ATOM 538 N VAL A 42 -9.022 -8.620 -3.027 1.00 0.67 N ATOM 539 CA VAL A 42 -8.155 -7.471 -2.804 1.00 0.68 C ATOM 540 C VAL A 42 -8.985 -6.211 -2.567 1.00 0.67 C ATOM 541 O VAL A 42 -9.971 -5.956 -3.263 1.00 0.75 O ATOM 542 CB VAL A 42 -7.180 -7.249 -3.981 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.284 -8.464 -4.160 1.00 0.80 C ATOM 544 CG2 VAL A 42 -7.933 -6.942 -5.268 1.00 0.83 C ATOM 0 H VAL A 42 -9.127 -8.889 -4.005 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.561 -7.682 -1.915 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.556 -6.387 -3.747 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.602 -8.294 -4.993 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.709 -8.630 -3.249 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.897 -9.341 -4.367 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.221 -6.790 -6.079 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -8.590 -7.777 -5.513 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -8.528 -6.039 -5.135 1.00 0.83 H new ATOM 554 N GLU A 43 -8.597 -5.437 -1.563 1.00 0.60 N ATOM 555 CA GLU A 43 -9.316 -4.217 -1.220 1.00 0.59 C ATOM 556 C GLU A 43 -8.364 -3.031 -1.159 1.00 0.58 C ATOM 557 O GLU A 43 -7.266 -3.130 -0.605 1.00 0.63 O ATOM 558 CB GLU A 43 -10.044 -4.404 0.113 1.00 0.60 C ATOM 559 CG GLU A 43 -10.779 -5.733 0.203 1.00 0.66 C ATOM 560 CD GLU A 43 -11.489 -5.934 1.522 1.00 0.70 C ATOM 561 OE1 GLU A 43 -10.805 -5.997 2.562 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.732 -6.045 1.511 1.00 0.79 O ATOM 0 H GLU A 43 -7.789 -5.632 -0.972 1.00 0.60 H new ATOM 0 HA GLU A 43 -10.054 -4.010 -1.995 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.323 -4.337 0.928 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.756 -3.590 0.250 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.506 -5.794 -0.606 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -10.067 -6.545 0.054 1.00 0.66 H new ATOM 569 N VAL A 44 -8.788 -1.910 -1.734 1.00 0.55 N ATOM 570 CA VAL A 44 -7.961 -0.712 -1.761 1.00 0.56 C ATOM 571 C VAL A 44 -8.441 0.339 -0.766 1.00 0.54 C ATOM 572 O VAL A 44 -9.553 0.860 -0.865 1.00 0.57 O ATOM 573 CB VAL A 44 -7.891 -0.090 -3.174 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.887 -0.838 -4.040 1.00 0.66 C ATOM 575 CG2 VAL A 44 -9.261 -0.077 -3.837 1.00 0.64 C ATOM 0 H VAL A 44 -9.697 -1.808 -2.186 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.961 -1.033 -1.471 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.558 0.942 -3.069 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.852 -0.385 -5.031 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.900 -0.784 -3.582 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -7.189 -1.882 -4.129 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -9.181 0.366 -4.830 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.633 -1.098 -3.924 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.952 0.510 -3.232 1.00 0.64 H new ATOM 585 N VAL A 45 -7.583 0.631 0.199 1.00 0.51 N ATOM 586 CA VAL A 45 -7.872 1.641 1.240 1.00 0.50 C ATOM 587 C VAL A 45 -7.087 2.944 0.969 1.00 0.51 C ATOM 588 O VAL A 45 -6.079 2.978 0.261 1.00 0.54 O ATOM 589 CB VAL A 45 -7.660 1.098 2.673 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.977 -0.377 2.785 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.233 1.083 3.168 1.00 0.67 C ATOM 0 H VAL A 45 -6.670 0.186 0.295 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.933 1.882 1.181 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.301 1.777 3.235 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.812 -0.708 3.810 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -9.019 -0.547 2.512 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.329 -0.940 2.113 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.204 0.684 4.182 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.627 0.456 2.513 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.837 2.098 3.167 1.00 0.67 H new ATOM 601 N ALA A 46 -7.669 4.049 1.400 1.00 0.52 N ATOM 602 CA ALA A 46 -7.061 5.384 1.228 1.00 0.54 C ATOM 603 C ALA A 46 -7.270 6.252 2.473 1.00 0.55 C ATOM 604 O ALA A 46 -8.208 6.035 3.247 1.00 0.55 O ATOM 605 CB ALA A 46 -7.659 6.075 -0.002 1.00 0.58 C ATOM 0 H ALA A 46 -8.570 4.062 1.878 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.988 5.254 1.084 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -7.206 7.059 -0.123 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -7.462 5.473 -0.889 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.735 6.185 0.130 1.00 0.58 H new ATOM 611 N SER A 47 -6.353 7.190 2.664 1.00 0.57 N ATOM 612 CA SER A 47 -6.426 8.162 3.770 1.00 0.60 C ATOM 613 C SER A 47 -6.391 9.592 3.227 1.00 0.64 C ATOM 614 O SER A 47 -5.561 9.953 2.383 1.00 0.65 O ATOM 615 CB SER A 47 -5.267 7.981 4.750 1.00 0.63 C ATOM 616 OG SER A 47 -5.228 6.630 5.215 1.00 0.62 O ATOM 0 H SER A 47 -5.536 7.307 2.064 1.00 0.57 H new ATOM 0 HA SER A 47 -7.365 7.985 4.294 1.00 0.60 H new ATOM 0 HB2 SER A 47 -4.325 8.234 4.263 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.383 8.662 5.593 1.00 0.63 H new ATOM 0 HG SER A 47 -4.482 6.521 5.841 1.00 0.62 H new ATOM 622 N LEU A 48 -7.302 10.411 3.741 1.00 0.66 N ATOM 623 CA LEU A 48 -7.406 11.807 3.338 1.00 0.71 C ATOM 624 C LEU A 48 -6.388 12.664 4.087 1.00 0.74 C ATOM 625 O LEU A 48 -5.703 12.185 4.992 1.00 0.74 O ATOM 626 CB LEU A 48 -8.823 12.333 3.601 1.00 0.72 C ATOM 627 CG LEU A 48 -9.850 12.042 2.500 1.00 0.74 C ATOM 628 CD1 LEU A 48 -10.234 10.570 2.485 1.00 0.72 C ATOM 629 CD2 LEU A 48 -11.086 12.911 2.689 1.00 0.79 C ATOM 0 H LEU A 48 -7.985 10.128 4.444 1.00 0.66 H new ATOM 0 HA LEU A 48 -7.195 11.869 2.270 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -9.185 11.901 4.534 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.770 13.412 3.748 1.00 0.72 H new ATOM 0 HG LEU A 48 -9.395 12.281 1.539 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.963 10.392 1.695 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.346 9.964 2.303 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.668 10.297 3.447 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.807 12.694 1.901 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -11.535 12.699 3.659 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.802 13.962 2.642 1.00 0.79 H new ATOM 641 N LYS A 49 -6.297 13.935 3.703 1.00 0.80 N ATOM 642 CA LYS A 49 -5.368 14.867 4.337 1.00 0.86 C ATOM 643 C LYS A 49 -5.903 15.325 5.697 1.00 0.87 C ATOM 644 O LYS A 49 -5.170 15.891 6.511 1.00 0.93 O ATOM 645 CB LYS A 49 -5.130 16.074 3.421 1.00 0.94 C ATOM 646 CG LYS A 49 -4.017 17.002 3.890 1.00 1.01 C ATOM 647 CD LYS A 49 -2.669 16.298 3.914 1.00 1.07 C ATOM 648 CE LYS A 49 -1.567 17.221 4.410 1.00 1.20 C ATOM 649 NZ LYS A 49 -1.830 17.710 5.791 1.00 1.23 N ATOM 0 H LYS A 49 -6.856 14.344 2.954 1.00 0.80 H new ATOM 0 HA LYS A 49 -4.420 14.355 4.501 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.891 15.715 2.420 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -6.055 16.645 3.343 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -3.963 17.868 3.230 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -4.250 17.375 4.887 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -2.727 15.420 4.558 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -2.425 15.943 2.913 1.00 1.07 H new ATOM 0 HE2 LYS A 49 -0.614 16.693 4.388 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -1.476 18.072 3.735 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -0.964 18.134 6.180 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -2.585 18.425 5.768 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -2.125 16.913 6.391 1.00 1.23 H new ATOM 663 N ASN A 50 -7.185 15.061 5.938 1.00 0.84 N ATOM 664 CA ASN A 50 -7.829 15.437 7.193 1.00 0.88 C ATOM 665 C ASN A 50 -7.579 14.389 8.278 1.00 0.84 C ATOM 666 O ASN A 50 -7.980 14.569 9.429 1.00 1.01 O ATOM 667 CB ASN A 50 -9.336 15.615 6.980 1.00 0.90 C ATOM 668 CG ASN A 50 -9.658 16.681 5.949 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.926 17.659 5.799 1.00 1.05 O ATOM 670 ND2 ASN A 50 -10.759 16.494 5.232 1.00 1.01 N ATOM 0 H ASN A 50 -7.800 14.586 5.277 1.00 0.84 H new ATOM 0 HA ASN A 50 -7.396 16.381 7.523 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.769 14.666 6.663 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -9.805 15.879 7.928 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -11.028 17.176 4.523 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -11.336 15.668 5.390 1.00 1.01 H new ATOM 677 N GLY A 51 -6.918 13.295 7.903 1.00 0.70 N ATOM 678 CA GLY A 51 -6.626 12.235 8.853 1.00 0.69 C ATOM 679 C GLY A 51 -7.742 11.214 8.947 1.00 0.64 C ATOM 680 O GLY A 51 -8.175 10.858 10.043 1.00 0.69 O ATOM 0 H GLY A 51 -6.579 13.125 6.956 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.703 11.734 8.560 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.454 12.671 9.837 1.00 0.69 H new ATOM 684 N LYS A 52 -8.212 10.745 7.794 1.00 0.60 N ATOM 685 CA LYS A 52 -9.289 9.760 7.744 1.00 0.57 C ATOM 686 C LYS A 52 -8.921 8.596 6.830 1.00 0.53 C ATOM 687 O LYS A 52 -8.039 8.715 5.998 1.00 0.62 O ATOM 688 CB LYS A 52 -10.586 10.411 7.253 1.00 0.62 C ATOM 689 CG LYS A 52 -11.153 11.455 8.204 1.00 0.70 C ATOM 690 CD LYS A 52 -12.362 12.162 7.609 1.00 0.86 C ATOM 691 CE LYS A 52 -13.537 11.211 7.422 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.724 11.901 6.846 1.00 1.19 N ATOM 0 H LYS A 52 -7.863 11.032 6.880 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.440 9.377 8.753 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.403 10.878 6.285 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.334 9.634 7.096 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.436 10.977 9.142 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.382 12.189 8.440 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.660 12.984 8.260 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -12.091 12.599 6.648 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.240 10.392 6.767 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.804 10.771 8.383 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.502 11.219 6.735 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -15.023 12.667 7.483 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.477 12.300 5.918 1.00 1.19 H new ATOM 706 N GLU A 53 -9.610 7.477 7.004 1.00 0.52 N ATOM 707 CA GLU A 53 -9.388 6.266 6.193 1.00 0.49 C ATOM 708 C GLU A 53 -10.734 5.692 5.734 1.00 0.49 C ATOM 709 O GLU A 53 -11.672 5.543 6.523 1.00 0.51 O ATOM 710 CB GLU A 53 -8.602 5.232 7.009 1.00 0.49 C ATOM 711 CG GLU A 53 -9.405 4.715 8.211 1.00 0.63 C ATOM 712 CD GLU A 53 -8.583 3.867 9.165 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.602 4.427 9.700 1.00 0.64 O ATOM 714 OE2 GLU A 53 -9.004 2.712 9.394 1.00 0.69 O ATOM 0 H GLU A 53 -10.340 7.373 7.708 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.805 6.522 5.308 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.331 4.394 6.367 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.672 5.679 7.360 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.818 5.564 8.755 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.249 4.127 7.849 1.00 0.63 H new ATOM 721 N ILE A 54 -10.814 5.442 4.450 1.00 0.47 N ATOM 722 CA ILE A 54 -12.028 4.847 3.854 1.00 0.47 C ATOM 723 C ILE A 54 -11.649 3.614 3.023 1.00 0.45 C ATOM 724 O ILE A 54 -10.470 3.296 2.844 1.00 0.43 O ATOM 725 CB ILE A 54 -12.815 5.898 3.049 1.00 0.49 C ATOM 726 CG1 ILE A 54 -11.987 6.424 1.861 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.326 7.015 3.979 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.750 7.340 0.902 1.00 0.51 C ATOM 0 H ILE A 54 -10.066 5.634 3.783 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.696 4.510 4.646 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.695 5.426 2.613 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.124 6.966 2.249 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.603 5.573 1.299 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.880 7.750 3.395 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.981 6.586 4.737 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.479 7.501 4.464 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.086 7.660 0.099 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.597 6.800 0.479 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.111 8.214 1.444 1.00 0.51 H new ATOM 740 N CYS A 55 -12.676 3.002 2.452 1.00 0.46 N ATOM 741 CA CYS A 55 -12.513 1.836 1.574 1.00 0.44 C ATOM 742 C CYS A 55 -13.232 2.095 0.259 1.00 0.46 C ATOM 743 O CYS A 55 -14.374 2.546 0.224 1.00 0.49 O ATOM 744 CB CYS A 55 -13.118 0.601 2.226 1.00 0.45 C ATOM 745 SG CYS A 55 -12.195 0.017 3.693 1.00 0.43 S ATOM 0 H CYS A 55 -13.645 3.293 2.579 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.450 1.671 1.399 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -14.145 0.821 2.518 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.161 -0.203 1.491 1.00 0.45 H new ATOM 750 N LEU A 56 -12.562 1.704 -0.802 1.00 0.46 N ATOM 751 CA LEU A 56 -13.087 1.899 -2.150 1.00 0.49 C ATOM 752 C LEU A 56 -13.376 0.527 -2.768 1.00 0.50 C ATOM 753 O LEU A 56 -12.733 -0.476 -2.439 1.00 0.48 O ATOM 754 CB LEU A 56 -11.997 2.708 -2.869 1.00 0.49 C ATOM 755 CG LEU A 56 -11.631 4.084 -2.298 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.704 4.796 -3.283 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.856 4.956 -2.006 1.00 0.51 C ATOM 0 H LEU A 56 -11.650 1.248 -0.765 1.00 0.46 H new ATOM 0 HA LEU A 56 -14.033 2.438 -2.206 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.091 2.103 -2.891 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.312 2.848 -3.903 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.131 3.924 -1.342 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.437 5.776 -2.888 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.800 4.203 -3.425 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.213 4.917 -4.239 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.532 5.916 -1.604 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.415 5.118 -2.928 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.494 4.455 -1.278 1.00 0.51 H new ATOM 769 N ASP A 57 -14.307 0.478 -3.712 1.00 0.53 N ATOM 770 CA ASP A 57 -14.621 -0.781 -4.385 1.00 0.54 C ATOM 771 C ASP A 57 -14.036 -0.795 -5.798 1.00 0.57 C ATOM 772 O ASP A 57 -14.519 -0.075 -6.675 1.00 0.62 O ATOM 773 CB ASP A 57 -16.130 -1.006 -4.448 1.00 0.59 C ATOM 774 CG ASP A 57 -16.500 -2.458 -4.222 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.866 -3.339 -4.843 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.420 -2.720 -3.420 1.00 0.67 O ATOM 0 H ASP A 57 -14.852 1.281 -4.027 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.173 -1.589 -3.806 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.620 -0.386 -3.697 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.504 -0.684 -5.420 1.00 0.59 H new ATOM 781 N PRO A 58 -12.989 -1.624 -6.039 1.00 0.58 N ATOM 782 CA PRO A 58 -12.331 -1.736 -7.359 1.00 0.64 C ATOM 783 C PRO A 58 -13.300 -2.195 -8.446 1.00 0.73 C ATOM 784 O PRO A 58 -13.019 -2.094 -9.641 1.00 0.86 O ATOM 785 CB PRO A 58 -11.242 -2.795 -7.139 1.00 0.68 C ATOM 786 CG PRO A 58 -11.051 -2.877 -5.664 1.00 0.63 C ATOM 787 CD PRO A 58 -12.373 -2.522 -5.045 1.00 0.59 C ATOM 0 HA PRO A 58 -11.943 -0.776 -7.699 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.545 -3.759 -7.549 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.315 -2.513 -7.639 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.740 -3.879 -5.368 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.271 -2.191 -5.335 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.985 -3.407 -4.870 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.245 -2.027 -4.082 1.00 0.59 H new ATOM 795 N GLU A 59 -14.438 -2.698 -7.994 1.00 0.69 N ATOM 796 CA GLU A 59 -15.522 -3.177 -8.863 1.00 0.81 C ATOM 797 C GLU A 59 -16.215 -2.052 -9.664 1.00 0.87 C ATOM 798 O GLU A 59 -16.938 -2.316 -10.624 1.00 0.96 O ATOM 799 CB GLU A 59 -16.535 -3.933 -7.998 1.00 0.84 C ATOM 800 CG GLU A 59 -17.153 -5.108 -8.757 1.00 1.11 C ATOM 801 CD GLU A 59 -17.912 -6.064 -7.844 1.00 1.18 C ATOM 802 OE1 GLU A 59 -17.217 -6.880 -7.211 1.00 1.29 O ATOM 803 OE2 GLU A 59 -19.158 -5.949 -7.800 1.00 1.35 O ATOM 0 H GLU A 59 -14.646 -2.790 -7.000 1.00 0.69 H new ATOM 0 HA GLU A 59 -15.084 -3.836 -9.613 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -16.044 -4.299 -7.096 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -17.322 -3.251 -7.678 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -17.831 -4.726 -9.520 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -16.365 -5.655 -9.275 1.00 1.11 H new ATOM 810 N ALA A 60 -16.013 -0.808 -9.250 1.00 0.84 N ATOM 811 CA ALA A 60 -16.633 0.343 -9.912 1.00 0.92 C ATOM 812 C ALA A 60 -15.626 1.038 -10.851 1.00 0.95 C ATOM 813 O ALA A 60 -14.507 1.349 -10.437 1.00 0.92 O ATOM 814 CB ALA A 60 -17.146 1.287 -8.829 1.00 0.91 C ATOM 0 H ALA A 60 -15.422 -0.565 -8.455 1.00 0.84 H new ATOM 0 HA ALA A 60 -17.468 0.023 -10.536 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.613 2.155 -9.294 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.879 0.768 -8.211 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -16.313 1.614 -8.207 1.00 0.91 H new ATOM 820 N PRO A 61 -16.070 1.379 -12.068 1.00 1.04 N ATOM 821 CA PRO A 61 -15.225 2.027 -13.094 1.00 1.08 C ATOM 822 C PRO A 61 -14.762 3.435 -12.697 1.00 1.06 C ATOM 823 O PRO A 61 -13.569 3.729 -12.754 1.00 1.05 O ATOM 824 CB PRO A 61 -16.092 2.047 -14.351 1.00 1.20 C ATOM 825 CG PRO A 61 -17.518 2.121 -13.801 1.00 1.24 C ATOM 826 CD PRO A 61 -17.456 1.234 -12.559 1.00 1.13 C ATOM 0 HA PRO A 61 -14.294 1.479 -13.238 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -15.861 2.904 -14.984 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.941 1.153 -14.957 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -17.802 3.144 -13.552 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -18.248 1.754 -14.523 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -18.178 1.553 -11.808 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.685 0.196 -12.801 1.00 1.13 H new ATOM 834 N PHE A 62 -15.674 4.217 -12.113 1.00 1.08 N ATOM 835 CA PHE A 62 -15.365 5.574 -11.616 1.00 1.08 C ATOM 836 C PHE A 62 -14.286 5.551 -10.529 1.00 0.97 C ATOM 837 O PHE A 62 -13.503 6.485 -10.386 1.00 0.97 O ATOM 838 CB PHE A 62 -16.619 6.274 -11.077 1.00 1.15 C ATOM 839 CG PHE A 62 -17.220 5.580 -9.852 1.00 1.13 C ATOM 840 CD1 PHE A 62 -16.781 5.917 -8.579 1.00 1.08 C ATOM 841 CD2 PHE A 62 -18.224 4.638 -10.021 1.00 1.18 C ATOM 842 CE1 PHE A 62 -17.350 5.314 -7.468 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.804 4.046 -8.908 1.00 1.19 C ATOM 844 CZ PHE A 62 -18.361 4.376 -7.636 1.00 1.15 C ATOM 0 H PHE A 62 -16.644 3.936 -11.969 1.00 1.08 H new ATOM 0 HA PHE A 62 -14.986 6.136 -12.470 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -16.369 7.303 -10.817 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -17.370 6.318 -11.866 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.996 6.649 -8.454 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -18.553 4.367 -11.013 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -17.009 5.572 -6.476 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -19.601 3.328 -9.032 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.804 3.902 -6.772 1.00 1.15 H new ATOM 854 N LEU A 63 -14.178 4.410 -9.884 1.00 0.89 N ATOM 855 CA LEU A 63 -13.178 4.200 -8.871 1.00 0.79 C ATOM 856 C LEU A 63 -11.829 3.933 -9.523 1.00 0.80 C ATOM 857 O LEU A 63 -10.801 4.392 -9.042 1.00 0.80 O ATOM 858 CB LEU A 63 -13.570 3.015 -8.024 1.00 0.72 C ATOM 859 CG LEU A 63 -13.110 3.083 -6.588 1.00 0.64 C ATOM 860 CD1 LEU A 63 -14.325 3.039 -5.695 1.00 0.60 C ATOM 861 CD2 LEU A 63 -12.141 1.952 -6.284 1.00 0.63 C ATOM 0 H LEU A 63 -14.782 3.605 -10.050 1.00 0.89 H new ATOM 0 HA LEU A 63 -13.103 5.091 -8.247 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.656 2.919 -8.039 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -13.164 2.111 -8.478 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.572 4.014 -6.407 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -14.012 3.087 -4.652 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.972 3.887 -5.919 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.870 2.111 -5.868 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.820 2.017 -5.244 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.635 0.995 -6.452 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -11.272 2.032 -6.937 1.00 0.63 H new ATOM 873 N LYS A 64 -11.860 3.204 -10.642 1.00 0.85 N ATOM 874 CA LYS A 64 -10.652 2.856 -11.394 1.00 0.90 C ATOM 875 C LYS A 64 -10.025 4.090 -12.045 1.00 0.94 C ATOM 876 O LYS A 64 -8.891 4.043 -12.512 1.00 0.99 O ATOM 877 CB LYS A 64 -10.988 1.814 -12.465 1.00 1.00 C ATOM 878 CG LYS A 64 -9.785 1.354 -13.278 1.00 1.10 C ATOM 879 CD LYS A 64 -10.204 0.742 -14.608 1.00 1.26 C ATOM 880 CE LYS A 64 -10.775 1.790 -15.552 1.00 1.46 C ATOM 881 NZ LYS A 64 -11.068 1.228 -16.902 1.00 1.71 N ATOM 0 H LYS A 64 -12.720 2.840 -11.051 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.927 2.440 -10.695 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -11.442 0.947 -11.985 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.734 2.231 -13.142 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -9.123 2.201 -13.460 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -9.216 0.622 -12.704 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -9.344 0.261 -15.075 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -10.948 -0.035 -14.433 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -11.689 2.202 -15.125 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -10.068 2.614 -15.648 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -11.455 1.976 -17.513 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -10.191 0.857 -17.321 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -11.762 0.458 -16.815 1.00 1.71 H new ATOM 895 N LYS A 65 -10.776 5.186 -12.068 1.00 0.94 N ATOM 896 CA LYS A 65 -10.313 6.459 -12.645 1.00 0.99 C ATOM 897 C LYS A 65 -9.470 7.287 -11.670 1.00 0.96 C ATOM 898 O LYS A 65 -8.290 7.531 -11.921 1.00 1.01 O ATOM 899 CB LYS A 65 -11.514 7.280 -13.095 1.00 1.02 C ATOM 900 CG LYS A 65 -12.268 6.591 -14.233 1.00 1.09 C ATOM 901 CD LYS A 65 -13.402 7.479 -14.754 1.00 1.15 C ATOM 902 CE LYS A 65 -12.893 8.770 -15.411 1.00 1.21 C ATOM 903 NZ LYS A 65 -12.072 8.487 -16.598 1.00 1.29 N ATOM 0 H LYS A 65 -11.722 5.225 -11.690 1.00 0.94 H new ATOM 0 HA LYS A 65 -9.674 6.210 -13.492 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -12.187 7.434 -12.252 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -11.181 8.265 -13.422 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -11.578 6.361 -15.045 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -12.675 5.642 -13.883 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -13.994 6.918 -15.477 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -14.066 7.734 -13.928 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -13.741 9.393 -15.695 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -12.307 9.339 -14.690 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -11.901 9.370 -17.120 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -11.163 8.078 -16.302 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -12.571 7.812 -17.212 1.00 1.29 H new ATOM 917 N VAL A 66 -10.058 7.570 -10.508 1.00 0.90 N ATOM 918 CA VAL A 66 -9.385 8.327 -9.461 1.00 0.88 C ATOM 919 C VAL A 66 -8.133 7.596 -8.953 1.00 0.88 C ATOM 920 O VAL A 66 -7.194 8.236 -8.483 1.00 0.91 O ATOM 921 CB VAL A 66 -10.334 8.619 -8.279 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.507 9.466 -8.743 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.831 7.331 -7.636 1.00 0.85 C ATOM 0 H VAL A 66 -11.007 7.282 -10.270 1.00 0.90 H new ATOM 0 HA VAL A 66 -9.078 9.274 -9.905 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.773 9.173 -7.526 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -12.168 9.665 -7.900 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -11.138 10.410 -9.145 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -12.057 8.932 -9.518 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.497 7.571 -6.807 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -11.371 6.740 -8.376 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.981 6.758 -7.264 1.00 0.85 H new ATOM 933 N ILE A 67 -8.116 6.257 -9.052 1.00 0.88 N ATOM 934 CA ILE A 67 -6.951 5.485 -8.616 1.00 0.91 C ATOM 935 C ILE A 67 -5.842 5.576 -9.661 1.00 0.98 C ATOM 936 O ILE A 67 -4.671 5.369 -9.351 1.00 1.05 O ATOM 937 CB ILE A 67 -7.267 4.003 -8.313 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.753 3.279 -9.569 1.00 0.93 C ATOM 939 CG2 ILE A 67 -8.293 3.899 -7.194 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.879 1.779 -9.394 1.00 1.00 C ATOM 0 H ILE A 67 -8.884 5.698 -9.424 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.624 5.930 -7.676 1.00 0.91 H new ATOM 0 HB ILE A 67 -6.349 3.517 -7.984 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.722 3.685 -9.860 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -7.062 3.484 -10.387 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.506 2.849 -6.992 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.898 4.369 -6.293 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -9.211 4.404 -7.494 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -8.228 1.332 -10.325 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.907 1.360 -9.133 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -8.592 1.564 -8.598 1.00 1.00 H new ATOM 952 N GLN A 68 -6.218 5.859 -10.907 1.00 0.99 N ATOM 953 CA GLN A 68 -5.219 6.050 -11.972 1.00 1.08 C ATOM 954 C GLN A 68 -4.472 7.379 -11.778 1.00 1.06 C ATOM 955 O GLN A 68 -3.246 7.425 -11.854 1.00 1.09 O ATOM 956 CB GLN A 68 -5.907 6.031 -13.330 1.00 1.16 C ATOM 957 CG GLN A 68 -4.883 6.109 -14.456 1.00 1.27 C ATOM 958 CD GLN A 68 -5.577 6.046 -15.809 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.714 6.446 -16.004 1.00 1.41 O ATOM 960 NE2 GLN A 68 -4.837 5.555 -16.776 1.00 1.52 N ATOM 0 H GLN A 68 -7.188 5.961 -11.207 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.494 5.237 -11.924 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.497 5.120 -13.431 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.600 6.869 -13.404 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -4.314 7.035 -14.375 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -4.171 5.288 -14.367 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -3.891 5.229 -16.579 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -5.208 5.499 -17.724 1.00 1.52 H new ATOM 969 N LYS A 69 -5.231 8.427 -11.453 1.00 1.05 N ATOM 970 CA LYS A 69 -4.678 9.769 -11.249 1.00 1.06 C ATOM 971 C LYS A 69 -3.696 9.838 -10.072 1.00 1.08 C ATOM 972 O LYS A 69 -2.727 10.597 -10.124 1.00 1.15 O ATOM 973 CB LYS A 69 -5.810 10.772 -11.019 1.00 1.03 C ATOM 974 CG LYS A 69 -6.735 10.947 -12.212 1.00 1.10 C ATOM 975 CD LYS A 69 -7.765 12.039 -11.956 1.00 1.19 C ATOM 976 CE LYS A 69 -8.682 12.239 -13.152 1.00 1.38 C ATOM 977 NZ LYS A 69 -9.632 13.368 -12.940 1.00 1.58 N ATOM 0 H LYS A 69 -6.241 8.371 -11.324 1.00 1.05 H new ATOM 0 HA LYS A 69 -4.123 10.019 -12.153 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -6.399 10.449 -10.161 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -5.378 11.739 -10.763 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -6.149 11.197 -13.096 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -7.244 10.006 -12.422 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -8.360 11.780 -11.080 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -7.254 12.975 -11.729 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -8.082 12.431 -14.042 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -9.242 11.323 -13.337 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -10.240 13.472 -13.777 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -10.222 13.173 -12.106 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -9.098 14.247 -12.788 1.00 1.58 H new ATOM 991 N ILE A 70 -3.939 9.063 -9.010 1.00 1.07 N ATOM 992 CA ILE A 70 -3.051 9.081 -7.840 1.00 1.12 C ATOM 993 C ILE A 70 -1.697 8.444 -8.149 1.00 1.25 C ATOM 994 O ILE A 70 -0.700 8.747 -7.496 1.00 1.37 O ATOM 995 CB ILE A 70 -3.669 8.374 -6.611 1.00 1.09 C ATOM 996 CG1 ILE A 70 -3.893 6.889 -6.894 1.00 1.09 C ATOM 997 CG2 ILE A 70 -4.970 9.050 -6.205 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.439 6.114 -5.713 1.00 1.19 C ATOM 0 H ILE A 70 -4.730 8.424 -8.935 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.911 10.134 -7.597 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.968 8.456 -5.781 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.583 6.789 -7.732 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -2.948 6.442 -7.204 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -5.391 8.539 -5.339 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -4.775 10.092 -5.952 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -5.678 9.004 -7.033 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -4.571 5.069 -5.993 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -3.740 6.181 -4.879 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.400 6.534 -5.415 1.00 1.19 H new ATOM 1122 N LEU B 8 7.935 20.594 15.821 1.00 0.80 N ATOM 1123 CA LEU B 8 8.421 21.155 14.541 1.00 0.77 C ATOM 1124 C LEU B 8 9.898 21.589 14.678 1.00 0.77 C ATOM 1125 O LEU B 8 10.229 22.716 15.045 1.00 0.79 O ATOM 1126 CB LEU B 8 7.507 22.318 14.115 1.00 0.78 C ATOM 1127 CG LEU B 8 7.780 22.909 12.718 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.512 23.593 12.213 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.878 23.979 12.710 1.00 0.77 C ATOM 0 HA LEU B 8 8.382 20.396 13.759 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.473 21.973 14.147 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.600 23.117 14.851 1.00 0.78 H new ATOM 0 HG LEU B 8 8.099 22.074 12.094 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.695 24.015 11.225 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.704 22.863 12.152 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.230 24.390 12.901 1.00 0.77 H new ATOM 0 HD21 LEU B 8 9.017 24.350 11.695 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.588 24.803 13.361 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.812 23.545 13.068 1.00 0.77 H new ATOM 1141 N ARG B 9 10.752 20.582 14.605 1.00 0.75 N ATOM 1142 CA ARG B 9 12.208 20.794 14.719 1.00 0.75 C ATOM 1143 C ARG B 9 12.962 20.074 13.600 1.00 0.72 C ATOM 1144 O ARG B 9 13.561 20.709 12.738 1.00 0.71 O ATOM 1145 CB ARG B 9 12.728 20.443 16.124 1.00 0.79 C ATOM 1146 CG ARG B 9 12.441 19.003 16.564 1.00 0.79 C ATOM 1147 CD ARG B 9 13.159 18.653 17.864 1.00 0.82 C ATOM 1148 NE ARG B 9 12.920 17.234 18.186 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.801 16.701 18.676 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.725 17.442 18.927 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.756 15.408 18.966 1.00 0.84 N ATOM 0 H ARG B 9 10.476 19.609 14.468 1.00 0.75 H new ATOM 0 HA ARG B 9 12.405 21.858 14.587 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.805 20.611 16.152 1.00 0.79 H new ATOM 0 HB3 ARG B 9 12.280 21.127 16.845 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.367 18.870 16.695 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.754 18.314 15.779 1.00 0.79 H new ATOM 0 HD2 ARG B 9 14.228 18.840 17.764 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.799 19.287 18.674 1.00 0.82 H new ATOM 0 HE ARG B 9 13.694 16.592 18.016 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.743 18.445 18.744 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.882 17.007 19.302 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.577 14.822 18.814 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.900 14.999 19.341 1.00 0.84 H new ATOM 1165 N GLU B 10 12.884 18.741 13.617 1.00 0.71 N ATOM 1166 CA GLU B 10 13.642 17.864 12.718 1.00 0.68 C ATOM 1167 C GLU B 10 12.892 16.551 12.492 1.00 0.66 C ATOM 1168 O GLU B 10 12.577 15.829 13.440 1.00 0.68 O ATOM 1169 CB GLU B 10 15.011 17.542 13.327 1.00 0.70 C ATOM 1170 CG GLU B 10 15.909 18.780 13.452 1.00 0.72 C ATOM 1171 CD GLU B 10 17.302 18.472 13.999 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.769 17.330 13.793 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.882 19.401 14.602 1.00 0.77 O ATOM 0 H GLU B 10 12.283 18.232 14.265 1.00 0.71 H new ATOM 0 HA GLU B 10 13.768 18.383 11.768 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.870 17.099 14.313 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.512 16.795 12.711 1.00 0.70 H new ATOM 0 HG2 GLU B 10 16.008 19.247 12.472 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.424 19.506 14.104 1.00 0.72 H new ATOM 1180 N LEU B 11 12.493 16.370 11.245 1.00 0.63 N ATOM 1181 CA LEU B 11 11.774 15.163 10.807 1.00 0.61 C ATOM 1182 C LEU B 11 12.487 14.528 9.613 1.00 0.58 C ATOM 1183 O LEU B 11 12.965 15.220 8.712 1.00 0.57 O ATOM 1184 CB LEU B 11 10.341 15.536 10.427 1.00 0.60 C ATOM 1185 CG LEU B 11 9.564 16.065 11.631 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.978 17.441 11.312 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.470 15.077 12.032 1.00 0.64 C ATOM 0 H LEU B 11 12.653 17.049 10.500 1.00 0.63 H new ATOM 0 HA LEU B 11 11.754 14.440 11.623 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.356 16.292 9.642 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.832 14.663 10.019 1.00 0.60 H new ATOM 0 HG LEU B 11 10.244 16.172 12.476 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.426 17.810 12.176 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.785 18.134 11.074 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.305 17.361 10.458 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.925 15.467 12.891 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.782 14.938 11.198 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.922 14.120 12.293 1.00 0.64 H new ATOM 1199 N ARG B 12 12.521 13.209 9.649 1.00 0.57 N ATOM 1200 CA ARG B 12 13.234 12.404 8.638 1.00 0.55 C ATOM 1201 C ARG B 12 12.201 11.754 7.723 1.00 0.52 C ATOM 1202 O ARG B 12 11.109 11.391 8.169 1.00 0.52 O ATOM 1203 CB ARG B 12 14.058 11.306 9.335 1.00 0.57 C ATOM 1204 CG ARG B 12 14.851 11.772 10.566 1.00 0.60 C ATOM 1205 CD ARG B 12 15.687 13.014 10.248 1.00 0.61 C ATOM 1206 NE ARG B 12 16.550 13.381 11.372 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.861 13.201 11.316 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.388 12.012 11.570 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.651 14.238 11.097 1.00 0.68 N ATOM 0 H ARG B 12 12.061 12.654 10.371 1.00 0.57 H new ATOM 0 HA ARG B 12 13.904 13.041 8.061 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.384 10.504 9.638 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.755 10.881 8.612 1.00 0.57 H new ATOM 0 HG2 ARG B 12 14.164 11.992 11.383 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.504 10.968 10.907 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.298 12.827 9.365 1.00 0.61 H new ATOM 0 HD3 ARG B 12 15.026 13.847 10.008 1.00 0.61 H new ATOM 0 HE ARG B 12 16.135 13.782 12.213 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.783 11.227 11.811 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.399 11.882 11.525 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.250 15.168 10.973 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.662 14.109 11.052 1.00 0.68 H new ATOM 1223 N CYS B 13 12.560 11.598 6.451 1.00 0.50 N ATOM 1224 CA CYS B 13 11.726 10.850 5.496 1.00 0.48 C ATOM 1225 C CYS B 13 11.442 9.441 6.041 1.00 0.48 C ATOM 1226 O CYS B 13 12.238 8.887 6.797 1.00 0.49 O ATOM 1227 CB CYS B 13 12.457 10.746 4.157 1.00 0.47 C ATOM 1228 SG CYS B 13 12.446 12.284 3.166 1.00 0.48 S ATOM 0 H CYS B 13 13.419 11.976 6.052 1.00 0.50 H new ATOM 0 HA CYS B 13 10.781 11.374 5.356 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.491 10.456 4.343 1.00 0.47 H new ATOM 0 HB3 CYS B 13 12.003 9.947 3.570 1.00 0.47 H new ATOM 1233 N VAL B 14 10.295 8.887 5.653 1.00 0.46 N ATOM 1234 CA VAL B 14 9.917 7.512 6.064 1.00 0.46 C ATOM 1235 C VAL B 14 10.951 6.471 5.576 1.00 0.46 C ATOM 1236 O VAL B 14 11.173 5.439 6.203 1.00 0.47 O ATOM 1237 CB VAL B 14 8.463 7.177 5.653 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.206 7.114 4.145 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.981 5.870 6.286 1.00 0.46 C ATOM 0 H VAL B 14 9.609 9.354 5.060 1.00 0.46 H new ATOM 0 HA VAL B 14 9.937 7.465 7.153 1.00 0.46 H new ATOM 0 HB VAL B 14 7.893 8.024 6.035 1.00 0.45 H new ATOM 0 HG11 VAL B 14 7.158 6.873 3.964 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.439 8.079 3.696 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.837 6.345 3.700 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.956 5.670 5.973 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.625 5.051 5.965 1.00 0.46 H new ATOM 0 HG23 VAL B 14 8.018 5.956 7.372 1.00 0.46 H new ATOM 1249 N CYS B 15 11.555 6.786 4.434 1.00 0.45 N ATOM 1250 CA CYS B 15 12.588 5.969 3.781 1.00 0.45 C ATOM 1251 C CYS B 15 13.904 6.731 3.659 1.00 0.47 C ATOM 1252 O CYS B 15 14.016 7.675 2.876 1.00 0.47 O ATOM 1253 CB CYS B 15 12.139 5.592 2.374 1.00 0.43 C ATOM 1254 SG CYS B 15 10.839 4.323 2.368 1.00 0.42 S ATOM 0 H CYS B 15 11.338 7.639 3.918 1.00 0.45 H new ATOM 0 HA CYS B 15 12.736 5.081 4.395 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.774 6.483 1.863 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.997 5.229 1.808 1.00 0.43 H new ATOM 1259 N LEU B 16 14.839 6.364 4.524 1.00 0.49 N ATOM 1260 CA LEU B 16 16.205 6.924 4.473 1.00 0.52 C ATOM 1261 C LEU B 16 17.117 6.240 3.444 1.00 0.54 C ATOM 1262 O LEU B 16 17.962 6.884 2.815 1.00 0.55 O ATOM 1263 CB LEU B 16 16.843 6.911 5.865 1.00 0.55 C ATOM 1264 CG LEU B 16 16.126 7.842 6.855 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.774 7.717 8.235 1.00 0.58 C ATOM 1266 CD2 LEU B 16 16.156 9.306 6.397 1.00 0.54 C ATOM 0 H LEU B 16 14.689 5.685 5.270 1.00 0.49 H new ATOM 0 HA LEU B 16 16.099 7.955 4.135 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.831 5.894 6.256 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.888 7.209 5.784 1.00 0.55 H new ATOM 0 HG LEU B 16 15.081 7.536 6.902 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.265 8.378 8.937 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.694 6.687 8.583 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.825 7.997 8.170 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.637 9.927 7.128 1.00 0.54 H new ATOM 0 HD22 LEU B 16 17.190 9.638 6.308 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.662 9.395 5.430 1.00 0.54 H new ATOM 1278 N GLN B 17 16.907 4.953 3.263 1.00 0.53 N ATOM 1279 CA GLN B 17 17.673 4.099 2.348 1.00 0.55 C ATOM 1280 C GLN B 17 16.783 3.651 1.174 1.00 0.53 C ATOM 1281 O GLN B 17 15.599 3.975 1.097 1.00 0.50 O ATOM 1282 CB GLN B 17 18.264 2.893 3.106 1.00 0.58 C ATOM 1283 CG GLN B 17 17.252 1.839 3.590 1.00 0.56 C ATOM 1284 CD GLN B 17 16.338 2.286 4.741 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.434 3.335 5.357 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.403 1.439 5.084 1.00 0.54 N ATOM 0 H GLN B 17 16.176 4.445 3.761 1.00 0.53 H new ATOM 0 HA GLN B 17 18.506 4.670 1.938 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.989 2.401 2.457 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.812 3.266 3.971 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.628 1.544 2.746 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.800 0.952 3.907 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.305 0.556 4.582 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.771 1.661 5.853 1.00 0.54 H new ATOM 1295 N THR B 18 17.395 2.855 0.316 1.00 0.55 N ATOM 1296 CA THR B 18 16.732 2.280 -0.866 1.00 0.54 C ATOM 1297 C THR B 18 16.930 0.756 -0.936 1.00 0.55 C ATOM 1298 O THR B 18 17.522 0.141 -0.044 1.00 0.57 O ATOM 1299 CB THR B 18 17.254 3.021 -2.108 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.511 2.583 -3.242 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.759 2.841 -2.355 1.00 0.60 C ATOM 0 H THR B 18 18.373 2.581 0.410 1.00 0.55 H new ATOM 0 HA THR B 18 15.652 2.419 -0.807 1.00 0.54 H new ATOM 0 HB THR B 18 17.114 4.088 -1.933 1.00 0.56 H new ATOM 0 HG1 THR B 18 15.559 2.768 -3.100 1.00 0.55 H new ATOM 0 HG21 THR B 18 19.050 3.394 -3.248 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.316 3.218 -1.497 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.981 1.783 -2.495 1.00 0.60 H new ATOM 1309 N THR B 19 16.519 0.170 -2.054 1.00 0.55 N ATOM 1310 CA THR B 19 16.603 -1.267 -2.354 1.00 0.57 C ATOM 1311 C THR B 19 16.559 -1.495 -3.877 1.00 0.58 C ATOM 1312 O THR B 19 15.988 -0.707 -4.639 1.00 0.57 O ATOM 1313 CB THR B 19 15.452 -2.019 -1.651 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.523 -1.795 -0.238 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.466 -3.532 -1.880 1.00 0.56 C ATOM 0 H THR B 19 16.098 0.702 -2.816 1.00 0.55 H new ATOM 0 HA THR B 19 17.549 -1.657 -1.979 1.00 0.57 H new ATOM 0 HB THR B 19 14.534 -1.625 -2.087 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.979 -1.015 -0.003 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.627 -3.987 -1.354 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.381 -3.739 -2.947 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.400 -3.948 -1.503 1.00 0.56 H new ATOM 1323 N GLN B 20 17.182 -2.596 -4.268 1.00 0.61 N ATOM 1324 CA GLN B 20 17.250 -3.092 -5.646 1.00 0.64 C ATOM 1325 C GLN B 20 16.822 -4.558 -5.752 1.00 0.64 C ATOM 1326 O GLN B 20 17.611 -5.490 -5.917 1.00 0.68 O ATOM 1327 CB GLN B 20 18.640 -2.837 -6.264 1.00 0.68 C ATOM 1328 CG GLN B 20 19.836 -3.569 -5.647 1.00 0.72 C ATOM 1329 CD GLN B 20 20.170 -3.188 -4.203 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.759 -2.202 -3.613 1.00 0.68 O ATOM 1331 NE2 GLN B 20 21.015 -3.982 -3.598 1.00 0.73 N ATOM 0 H GLN B 20 17.677 -3.198 -3.610 1.00 0.61 H new ATOM 0 HA GLN B 20 16.530 -2.524 -6.234 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.592 -3.103 -7.320 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.839 -1.766 -6.213 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.643 -4.641 -5.686 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.713 -3.381 -6.266 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.368 -4.810 -4.077 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.320 -3.773 -2.648 1.00 0.73 H new ATOM 1340 N GLY B 21 15.510 -4.736 -5.594 1.00 0.61 N ATOM 1341 CA GLY B 21 14.929 -6.062 -5.789 1.00 0.61 C ATOM 1342 C GLY B 21 14.639 -6.324 -7.282 1.00 0.63 C ATOM 1343 O GLY B 21 14.792 -5.408 -8.084 1.00 0.64 O ATOM 0 H GLY B 21 14.848 -4.003 -5.339 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.612 -6.822 -5.409 1.00 0.61 H new ATOM 0 HA3 GLY B 21 14.006 -6.147 -5.215 1.00 0.61 H new ATOM 1347 N VAL B 22 14.060 -7.441 -7.704 1.00 0.64 N ATOM 1348 CA VAL B 22 13.405 -8.622 -7.068 1.00 0.63 C ATOM 1349 C VAL B 22 12.149 -8.930 -7.912 1.00 0.62 C ATOM 1350 O VAL B 22 11.910 -8.293 -8.934 1.00 0.63 O ATOM 1351 CB VAL B 22 13.055 -8.489 -5.557 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.897 -7.527 -5.240 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.911 -9.842 -4.850 1.00 0.61 C ATOM 0 H VAL B 22 14.026 -7.580 -8.714 1.00 0.64 H new ATOM 0 HA VAL B 22 14.127 -9.438 -7.066 1.00 0.63 H new ATOM 0 HB VAL B 22 13.933 -8.005 -5.128 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.729 -7.502 -4.163 1.00 0.56 H new ATOM 0 HG12 VAL B 22 12.149 -6.526 -5.591 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.992 -7.870 -5.741 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.667 -9.680 -3.800 1.00 0.61 H new ATOM 0 HG22 VAL B 22 12.115 -10.417 -5.323 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.849 -10.393 -4.924 1.00 0.61 H new ATOM 1363 N HIS B 23 11.314 -9.854 -7.449 1.00 0.61 N ATOM 1364 CA HIS B 23 10.038 -10.153 -8.104 1.00 0.61 C ATOM 1365 C HIS B 23 8.867 -9.838 -7.151 1.00 0.57 C ATOM 1366 O HIS B 23 8.966 -10.121 -5.949 1.00 0.56 O ATOM 1367 CB HIS B 23 10.042 -11.621 -8.549 1.00 0.64 C ATOM 1368 CG HIS B 23 8.874 -11.933 -9.489 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.619 -12.134 -9.103 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.921 -12.086 -10.808 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.888 -12.427 -10.177 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.697 -12.398 -11.231 1.00 0.68 N ATOM 0 H HIS B 23 11.497 -10.415 -6.617 1.00 0.61 H new ATOM 0 HA HIS B 23 9.908 -9.528 -8.987 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.983 -11.846 -9.051 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.986 -12.267 -7.673 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.798 -11.977 -11.429 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.831 -12.648 -10.189 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.427 -12.583 -12.197 1.00 0.68 H new ATOM 1380 N PRO B 24 7.757 -9.327 -7.711 1.00 0.57 N ATOM 1381 CA PRO B 24 6.490 -9.075 -6.991 1.00 0.55 C ATOM 1382 C PRO B 24 6.002 -10.292 -6.206 1.00 0.55 C ATOM 1383 O PRO B 24 5.231 -10.129 -5.272 1.00 0.53 O ATOM 1384 CB PRO B 24 5.452 -8.840 -8.079 1.00 0.56 C ATOM 1385 CG PRO B 24 6.256 -8.237 -9.217 1.00 0.58 C ATOM 1386 CD PRO B 24 7.610 -8.925 -9.125 1.00 0.59 C ATOM 0 HA PRO B 24 6.637 -8.251 -6.293 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.968 -9.770 -8.379 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.665 -8.165 -7.743 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.781 -8.421 -10.181 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.350 -7.157 -9.109 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.655 -9.791 -9.785 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.413 -8.252 -9.427 1.00 0.59 H new ATOM 1394 N LYS B 25 6.457 -11.483 -6.591 1.00 0.57 N ATOM 1395 CA LYS B 25 6.102 -12.759 -5.951 1.00 0.58 C ATOM 1396 C LYS B 25 6.317 -12.734 -4.427 1.00 0.56 C ATOM 1397 O LYS B 25 5.590 -13.383 -3.685 1.00 0.57 O ATOM 1398 CB LYS B 25 6.952 -13.866 -6.570 1.00 0.61 C ATOM 1399 CG LYS B 25 6.123 -15.143 -6.719 1.00 0.62 C ATOM 1400 CD LYS B 25 6.908 -16.288 -7.358 1.00 0.66 C ATOM 1401 CE LYS B 25 7.985 -16.838 -6.424 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.881 -18.300 -6.348 1.00 0.69 N ATOM 0 H LYS B 25 7.099 -11.596 -7.376 1.00 0.57 H new ATOM 0 HA LYS B 25 5.040 -12.939 -6.120 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.324 -13.548 -7.544 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.823 -14.059 -5.944 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.767 -15.456 -5.738 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.242 -14.930 -7.325 1.00 0.62 H new ATOM 0 HD2 LYS B 25 6.222 -17.090 -7.631 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.372 -15.938 -8.280 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.973 -16.553 -6.786 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.873 -16.405 -5.430 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.616 -18.668 -5.711 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.943 -18.563 -5.983 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 8.009 -18.707 -7.296 1.00 0.69 H new ATOM 1416 N MET B 26 7.278 -11.916 -3.994 1.00 0.55 N ATOM 1417 CA MET B 26 7.568 -11.693 -2.565 1.00 0.55 C ATOM 1418 C MET B 26 6.734 -10.562 -1.939 1.00 0.52 C ATOM 1419 O MET B 26 6.611 -10.462 -0.715 1.00 0.52 O ATOM 1420 CB MET B 26 9.067 -11.437 -2.374 1.00 0.57 C ATOM 1421 CG MET B 26 9.911 -12.693 -2.633 1.00 0.64 C ATOM 1422 SD MET B 26 9.678 -14.028 -1.399 1.00 0.75 S ATOM 1423 CE MET B 26 8.536 -15.108 -2.237 1.00 0.95 C ATOM 0 H MET B 26 7.882 -11.385 -4.621 1.00 0.55 H new ATOM 0 HA MET B 26 7.279 -12.601 -2.036 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.386 -10.642 -3.048 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.246 -11.085 -1.358 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.668 -13.082 -3.622 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.964 -12.411 -2.651 1.00 0.64 H new ATOM 0 HE1 MET B 26 7.789 -15.468 -1.529 1.00 0.95 H new ATOM 0 HE2 MET B 26 8.041 -14.562 -3.040 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.078 -15.956 -2.656 1.00 0.95 H new ATOM 1433 N ILE B 27 6.187 -9.691 -2.778 1.00 0.50 N ATOM 1434 CA ILE B 27 5.389 -8.556 -2.305 1.00 0.48 C ATOM 1435 C ILE B 27 3.918 -8.941 -2.122 1.00 0.49 C ATOM 1436 O ILE B 27 3.361 -9.691 -2.923 1.00 0.56 O ATOM 1437 CB ILE B 27 5.481 -7.366 -3.290 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.944 -7.076 -3.657 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.824 -6.126 -2.699 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.810 -6.678 -2.479 1.00 0.58 C ATOM 0 H ILE B 27 6.279 -9.745 -3.792 1.00 0.50 H new ATOM 0 HA ILE B 27 5.799 -8.261 -1.339 1.00 0.48 H new ATOM 0 HB ILE B 27 4.946 -7.637 -4.200 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.372 -7.962 -4.126 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.970 -6.278 -4.399 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.900 -5.301 -3.408 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.774 -6.333 -2.494 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.328 -5.855 -1.771 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.827 -6.491 -2.822 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.409 -5.773 -2.022 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.817 -7.483 -1.744 1.00 0.58 H new ATOM 1452 N SER B 28 3.296 -8.416 -1.062 1.00 0.47 N ATOM 1453 CA SER B 28 1.893 -8.700 -0.774 1.00 0.54 C ATOM 1454 C SER B 28 1.186 -7.472 -0.188 1.00 0.55 C ATOM 1455 O SER B 28 0.009 -7.534 0.165 1.00 0.70 O ATOM 1456 CB SER B 28 1.781 -9.881 0.193 1.00 0.61 C ATOM 1457 OG SER B 28 2.183 -11.089 -0.427 1.00 0.68 O ATOM 0 H SER B 28 3.745 -7.792 -0.391 1.00 0.47 H new ATOM 0 HA SER B 28 1.403 -8.957 -1.713 1.00 0.54 H new ATOM 0 HB2 SER B 28 2.400 -9.696 1.071 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.752 -9.973 0.542 1.00 0.61 H new ATOM 0 HG SER B 28 1.500 -11.776 -0.279 1.00 0.68 H new ATOM 1463 N ASN B 29 1.913 -6.357 -0.092 1.00 0.49 N ATOM 1464 CA ASN B 29 1.360 -5.116 0.451 1.00 0.50 C ATOM 1465 C ASN B 29 2.134 -3.908 -0.084 1.00 0.49 C ATOM 1466 O ASN B 29 3.362 -3.931 -0.151 1.00 0.49 O ATOM 1467 CB ASN B 29 1.410 -5.149 1.988 1.00 0.54 C ATOM 1468 CG ASN B 29 1.059 -3.820 2.632 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.114 -3.483 2.798 1.00 0.67 O ATOM 1470 ND2 ASN B 29 2.080 -3.063 3.017 1.00 0.83 N ATOM 0 H ASN B 29 2.888 -6.289 -0.384 1.00 0.49 H new ATOM 0 HA ASN B 29 0.321 -5.024 0.135 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.722 -5.913 2.350 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.410 -5.445 2.305 1.00 0.54 H new ATOM 0 HD21 ASN B 29 1.907 -2.165 3.469 1.00 0.83 H new ATOM 0 HD22 ASN B 29 3.037 -3.379 2.861 1.00 0.83 H new ATOM 1477 N LEU B 30 1.407 -2.859 -0.468 1.00 0.53 N ATOM 1478 CA LEU B 30 2.024 -1.646 -0.999 1.00 0.55 C ATOM 1479 C LEU B 30 1.527 -0.405 -0.263 1.00 0.56 C ATOM 1480 O LEU B 30 0.332 -0.121 -0.242 1.00 0.75 O ATOM 1481 CB LEU B 30 1.737 -1.512 -2.499 1.00 0.60 C ATOM 1482 CG LEU B 30 2.123 -0.167 -3.125 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.630 -0.063 -3.288 1.00 0.74 C ATOM 1484 CD2 LEU B 30 1.432 0.020 -4.466 1.00 0.75 C ATOM 0 H LEU B 30 0.389 -2.826 -0.421 1.00 0.53 H new ATOM 0 HA LEU B 30 3.100 -1.727 -0.846 1.00 0.55 H new ATOM 0 HB2 LEU B 30 2.269 -2.304 -3.026 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.672 -1.678 -2.664 1.00 0.60 H new ATOM 0 HG LEU B 30 1.793 0.626 -2.453 1.00 0.69 H new ATOM 0 HD11 LEU B 30 3.882 0.899 -3.734 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.108 -0.147 -2.312 1.00 0.74 H new ATOM 0 HD13 LEU B 30 3.982 -0.866 -3.935 1.00 0.74 H new ATOM 0 HD21 LEU B 30 1.720 0.981 -4.893 1.00 0.75 H new ATOM 0 HD22 LEU B 30 1.729 -0.781 -5.143 1.00 0.75 H new ATOM 0 HD23 LEU B 30 0.351 -0.005 -4.325 1.00 0.75 H new ATOM 1496 N GLN B 31 2.454 0.333 0.336 1.00 0.50 N ATOM 1497 CA GLN B 31 2.111 1.551 1.060 1.00 0.50 C ATOM 1498 C GLN B 31 2.623 2.781 0.314 1.00 0.51 C ATOM 1499 O GLN B 31 3.816 2.900 0.031 1.00 0.60 O ATOM 1500 CB GLN B 31 2.686 1.516 2.477 1.00 0.53 C ATOM 1501 CG GLN B 31 2.179 0.354 3.316 1.00 0.57 C ATOM 1502 CD GLN B 31 3.080 0.044 4.497 1.00 0.75 C ATOM 1503 OE1 GLN B 31 4.020 -0.743 4.386 1.00 1.08 O ATOM 1504 NE2 GLN B 31 2.790 0.656 5.637 1.00 1.01 N ATOM 0 H GLN B 31 3.449 0.109 0.335 1.00 0.50 H new ATOM 0 HA GLN B 31 1.025 1.612 1.127 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.773 1.462 2.417 1.00 0.53 H new ATOM 0 HB3 GLN B 31 2.441 2.451 2.982 1.00 0.53 H new ATOM 0 HG2 GLN B 31 1.178 0.584 3.680 1.00 0.57 H new ATOM 0 HG3 GLN B 31 2.094 -0.532 2.687 1.00 0.57 H new ATOM 0 HE21 GLN B 31 2.001 1.301 5.683 1.00 1.01 H new ATOM 0 HE22 GLN B 31 3.356 0.482 6.468 1.00 1.01 H new ATOM 1513 N VAL B 32 1.707 3.686 -0.010 1.00 0.49 N ATOM 1514 CA VAL B 32 2.050 4.909 -0.723 1.00 0.51 C ATOM 1515 C VAL B 32 1.951 6.120 0.198 1.00 0.49 C ATOM 1516 O VAL B 32 0.952 6.308 0.888 1.00 0.61 O ATOM 1517 CB VAL B 32 1.133 5.130 -1.948 1.00 0.56 C ATOM 1518 CG1 VAL B 32 1.667 6.253 -2.827 1.00 0.61 C ATOM 1519 CG2 VAL B 32 0.986 3.845 -2.750 1.00 0.59 C ATOM 0 H VAL B 32 0.716 3.594 0.212 1.00 0.49 H new ATOM 0 HA VAL B 32 3.077 4.797 -1.069 1.00 0.51 H new ATOM 0 HB VAL B 32 0.147 5.421 -1.585 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.006 6.391 -3.683 1.00 0.61 H new ATOM 0 HG12 VAL B 32 1.711 7.177 -2.250 1.00 0.61 H new ATOM 0 HG13 VAL B 32 2.666 5.996 -3.178 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.337 4.023 -3.607 1.00 0.59 H new ATOM 0 HG22 VAL B 32 1.966 3.520 -3.099 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.550 3.070 -2.119 1.00 0.59 H new ATOM 1529 N PHE B 33 3.001 6.934 0.208 1.00 0.48 N ATOM 1530 CA PHE B 33 3.046 8.132 1.039 1.00 0.48 C ATOM 1531 C PHE B 33 3.392 9.348 0.182 1.00 0.50 C ATOM 1532 O PHE B 33 4.425 9.367 -0.486 1.00 0.56 O ATOM 1533 CB PHE B 33 4.080 7.967 2.157 1.00 0.53 C ATOM 1534 CG PHE B 33 3.626 7.090 3.295 1.00 0.57 C ATOM 1535 CD1 PHE B 33 3.828 5.718 3.262 1.00 0.65 C ATOM 1536 CD2 PHE B 33 3.001 7.644 4.402 1.00 0.70 C ATOM 1537 CE1 PHE B 33 3.417 4.916 4.312 1.00 0.78 C ATOM 1538 CE2 PHE B 33 2.587 6.847 5.453 1.00 0.85 C ATOM 1539 CZ PHE B 33 2.796 5.483 5.407 1.00 0.86 C ATOM 0 H PHE B 33 3.838 6.784 -0.355 1.00 0.48 H new ATOM 0 HA PHE B 33 2.065 8.282 1.491 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.993 7.549 1.733 1.00 0.53 H new ATOM 0 HB3 PHE B 33 4.333 8.951 2.551 1.00 0.53 H new ATOM 0 HD1 PHE B 33 4.312 5.270 2.406 1.00 0.65 H new ATOM 0 HD2 PHE B 33 2.836 8.710 4.444 1.00 0.70 H new ATOM 0 HE1 PHE B 33 3.582 3.849 4.275 1.00 0.78 H new ATOM 0 HE2 PHE B 33 2.101 7.291 6.309 1.00 0.85 H new ATOM 0 HZ PHE B 33 2.474 4.859 6.228 1.00 0.86 H new ATOM 1549 N ALA B 34 2.525 10.360 0.197 1.00 0.50 N ATOM 1550 CA ALA B 34 2.759 11.570 -0.592 1.00 0.55 C ATOM 1551 C ALA B 34 3.626 12.582 0.160 1.00 0.54 C ATOM 1552 O ALA B 34 4.379 12.223 1.069 1.00 0.58 O ATOM 1553 CB ALA B 34 1.434 12.200 -0.997 1.00 0.61 C ATOM 0 H ALA B 34 1.662 10.367 0.741 1.00 0.50 H new ATOM 0 HA ALA B 34 3.304 11.278 -1.490 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.623 13.099 -1.583 1.00 0.61 H new ATOM 0 HB2 ALA B 34 0.861 11.491 -1.595 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.867 12.462 -0.103 1.00 0.61 H new ATOM 1559 N ILE B 35 3.519 13.850 -0.237 1.00 0.60 N ATOM 1560 CA ILE B 35 4.286 14.928 0.378 1.00 0.63 C ATOM 1561 C ILE B 35 3.781 15.238 1.789 1.00 0.59 C ATOM 1562 O ILE B 35 2.612 15.571 1.987 1.00 0.63 O ATOM 1563 CB ILE B 35 4.222 16.205 -0.491 1.00 0.75 C ATOM 1564 CG1 ILE B 35 4.907 15.960 -1.840 1.00 0.90 C ATOM 1565 CG2 ILE B 35 4.862 17.386 0.229 1.00 0.77 C ATOM 1566 CD1 ILE B 35 4.753 17.106 -2.817 1.00 1.10 C ATOM 0 H ILE B 35 2.902 14.155 -0.989 1.00 0.60 H new ATOM 0 HA ILE B 35 5.321 14.594 0.449 1.00 0.63 H new ATOM 0 HB ILE B 35 3.175 16.448 -0.669 1.00 0.75 H new ATOM 0 HG12 ILE B 35 5.968 15.778 -1.671 1.00 0.90 H new ATOM 0 HG13 ILE B 35 4.496 15.055 -2.287 1.00 0.90 H new ATOM 0 HG21 ILE B 35 4.804 18.272 -0.403 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.333 17.572 1.164 1.00 0.77 H new ATOM 0 HG23 ILE B 35 5.907 17.160 0.442 1.00 0.77 H new ATOM 0 HD11 ILE B 35 5.263 16.861 -3.749 1.00 1.10 H new ATOM 0 HD12 ILE B 35 3.695 17.274 -3.016 1.00 1.10 H new ATOM 0 HD13 ILE B 35 5.190 18.009 -2.391 1.00 1.10 H new ATOM 1578 N GLY B 36 4.680 15.119 2.764 1.00 0.58 N ATOM 1579 CA GLY B 36 4.330 15.387 4.146 1.00 0.59 C ATOM 1580 C GLY B 36 5.272 16.388 4.796 1.00 0.63 C ATOM 1581 O GLY B 36 6.085 17.008 4.107 1.00 0.63 O ATOM 0 H GLY B 36 5.650 14.840 2.618 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.310 15.768 4.193 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.348 14.455 4.710 1.00 0.59 H new ATOM 1585 N PRO B 37 5.183 16.569 6.128 1.00 0.67 N ATOM 1586 CA PRO B 37 6.036 17.507 6.871 1.00 0.73 C ATOM 1587 C PRO B 37 7.450 16.970 7.106 1.00 0.71 C ATOM 1588 O PRO B 37 8.320 17.690 7.597 1.00 0.77 O ATOM 1589 CB PRO B 37 5.306 17.671 8.217 1.00 0.79 C ATOM 1590 CG PRO B 37 4.020 16.917 8.094 1.00 0.77 C ATOM 1591 CD PRO B 37 4.235 15.892 7.020 1.00 0.69 C ATOM 0 HA PRO B 37 6.174 18.438 6.321 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.909 17.279 9.036 1.00 0.79 H new ATOM 0 HB3 PRO B 37 5.120 18.723 8.433 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.756 16.441 9.039 1.00 0.77 H new ATOM 0 HG3 PRO B 37 3.200 17.586 7.834 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.644 14.964 7.419 1.00 0.69 H new ATOM 0 HD3 PRO B 37 3.306 15.637 6.509 1.00 0.69 H new ATOM 1599 N GLN B 38 7.670 15.710 6.753 1.00 0.65 N ATOM 1600 CA GLN B 38 8.985 15.077 6.936 1.00 0.65 C ATOM 1601 C GLN B 38 9.692 14.759 5.608 1.00 0.61 C ATOM 1602 O GLN B 38 10.899 14.535 5.575 1.00 0.63 O ATOM 1603 CB GLN B 38 8.814 13.805 7.779 1.00 0.65 C ATOM 1604 CG GLN B 38 7.942 12.730 7.121 1.00 0.59 C ATOM 1605 CD GLN B 38 7.827 11.510 8.028 1.00 0.63 C ATOM 1606 OE1 GLN B 38 7.313 11.556 9.131 1.00 0.71 O ATOM 1607 NE2 GLN B 38 8.260 10.381 7.524 1.00 0.61 N ATOM 0 H GLN B 38 6.963 15.102 6.339 1.00 0.65 H new ATOM 0 HA GLN B 38 9.628 15.789 7.453 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.798 13.384 7.985 1.00 0.65 H new ATOM 0 HB3 GLN B 38 8.376 14.075 8.740 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.950 13.133 6.915 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.373 12.439 6.163 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.687 10.367 6.598 1.00 0.61 H new ATOM 0 HE22 GLN B 38 8.170 9.516 8.058 1.00 0.61 H new ATOM 1616 N CYS B 39 8.913 14.675 4.531 1.00 0.56 N ATOM 1617 CA CYS B 39 9.457 14.333 3.220 1.00 0.54 C ATOM 1618 C CYS B 39 8.639 14.974 2.102 1.00 0.59 C ATOM 1619 O CYS B 39 7.429 14.778 2.018 1.00 0.67 O ATOM 1620 CB CYS B 39 9.453 12.807 3.052 1.00 0.48 C ATOM 1621 SG CYS B 39 10.787 12.147 2.000 1.00 0.47 S ATOM 0 H CYS B 39 7.906 14.839 4.541 1.00 0.56 H new ATOM 0 HA CYS B 39 10.477 14.713 3.157 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.526 12.347 4.038 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.494 12.505 2.630 1.00 0.48 H new ATOM 1626 N SER B 40 9.308 15.733 1.239 1.00 0.64 N ATOM 1627 CA SER B 40 8.637 16.396 0.126 1.00 0.73 C ATOM 1628 C SER B 40 8.889 15.640 -1.180 1.00 0.72 C ATOM 1629 O SER B 40 8.980 16.236 -2.255 1.00 1.00 O ATOM 1630 CB SER B 40 9.112 17.846 0.006 1.00 0.87 C ATOM 1631 OG SER B 40 8.258 18.594 -0.845 1.00 1.01 O ATOM 0 H SER B 40 10.312 15.904 1.289 1.00 0.64 H new ATOM 0 HA SER B 40 7.564 16.397 0.320 1.00 0.73 H new ATOM 0 HB2 SER B 40 9.140 18.306 0.994 1.00 0.87 H new ATOM 0 HB3 SER B 40 10.129 17.868 -0.384 1.00 0.87 H new ATOM 0 HG SER B 40 8.176 18.138 -1.709 1.00 1.01 H new ATOM 1637 N LYS B 41 8.988 14.319 -1.073 1.00 0.66 N ATOM 1638 CA LYS B 41 9.232 13.460 -2.229 1.00 0.64 C ATOM 1639 C LYS B 41 8.302 12.251 -2.189 1.00 0.61 C ATOM 1640 O LYS B 41 7.900 11.805 -1.113 1.00 0.61 O ATOM 1641 CB LYS B 41 10.691 12.999 -2.238 1.00 0.64 C ATOM 1642 CG LYS B 41 11.152 12.420 -3.568 1.00 0.71 C ATOM 1643 CD LYS B 41 12.561 11.859 -3.470 1.00 0.81 C ATOM 1644 CE LYS B 41 13.040 11.313 -4.806 1.00 0.97 C ATOM 1645 NZ LYS B 41 14.383 10.681 -4.701 1.00 1.16 N ATOM 0 H LYS B 41 8.902 13.816 -0.190 1.00 0.66 H new ATOM 0 HA LYS B 41 9.034 14.027 -3.139 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.329 13.844 -1.981 1.00 0.64 H new ATOM 0 HB3 LYS B 41 10.828 12.248 -1.460 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.466 11.633 -3.881 1.00 0.71 H new ATOM 0 HG3 LYS B 41 11.120 13.194 -4.334 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.241 12.640 -3.130 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.587 11.066 -2.722 1.00 0.81 H new ATOM 0 HE2 LYS B 41 12.323 10.581 -5.176 1.00 0.97 H new ATOM 0 HE3 LYS B 41 13.076 12.122 -5.536 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 14.672 10.322 -5.633 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 15.074 11.386 -4.372 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.344 9.893 -4.024 1.00 1.16 H new ATOM 1659 N VAL B 42 7.957 11.726 -3.362 1.00 0.61 N ATOM 1660 CA VAL B 42 7.074 10.568 -3.444 1.00 0.62 C ATOM 1661 C VAL B 42 7.869 9.263 -3.464 1.00 0.60 C ATOM 1662 O VAL B 42 8.649 9.004 -4.381 1.00 0.68 O ATOM 1663 CB VAL B 42 6.142 10.636 -4.674 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.050 11.669 -4.451 1.00 0.72 C ATOM 1665 CG2 VAL B 42 6.923 10.954 -5.942 1.00 0.78 C ATOM 0 H VAL B 42 8.274 12.082 -4.264 1.00 0.61 H new ATOM 0 HA VAL B 42 6.453 10.587 -2.548 1.00 0.62 H new ATOM 0 HB VAL B 42 5.681 9.657 -4.802 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.401 11.706 -5.326 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.463 11.395 -3.575 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.502 12.648 -4.293 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.239 10.995 -6.790 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.421 11.917 -5.831 1.00 0.78 H new ATOM 0 HG23 VAL B 42 7.669 10.178 -6.114 1.00 0.78 H new ATOM 1675 N GLU B 43 7.679 8.452 -2.426 1.00 0.56 N ATOM 1676 CA GLU B 43 8.367 7.173 -2.312 1.00 0.54 C ATOM 1677 C GLU B 43 7.360 6.034 -2.196 1.00 0.53 C ATOM 1678 O GLU B 43 6.346 6.161 -1.506 1.00 0.57 O ATOM 1679 CB GLU B 43 9.293 7.171 -1.091 1.00 0.54 C ATOM 1680 CG GLU B 43 10.272 8.335 -1.058 1.00 0.61 C ATOM 1681 CD GLU B 43 11.105 8.362 0.208 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.547 8.682 1.279 1.00 0.80 O ATOM 1683 OE2 GLU B 43 12.315 8.066 0.130 1.00 0.77 O ATOM 0 H GLU B 43 7.051 8.661 -1.650 1.00 0.56 H new ATOM 0 HA GLU B 43 8.965 7.026 -3.211 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.685 7.194 -0.186 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.854 6.237 -1.074 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.933 8.273 -1.922 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.720 9.271 -1.145 1.00 0.61 H new ATOM 1690 N VAL B 44 7.641 4.924 -2.873 1.00 0.51 N ATOM 1691 CA VAL B 44 6.750 3.769 -2.837 1.00 0.51 C ATOM 1692 C VAL B 44 7.357 2.625 -2.027 1.00 0.49 C ATOM 1693 O VAL B 44 8.295 1.958 -2.464 1.00 0.53 O ATOM 1694 CB VAL B 44 6.378 3.271 -4.253 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.212 4.076 -4.809 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.571 3.346 -5.198 1.00 0.59 C ATOM 0 H VAL B 44 8.473 4.800 -3.450 1.00 0.51 H new ATOM 0 HA VAL B 44 5.835 4.102 -2.348 1.00 0.51 H new ATOM 0 HB VAL B 44 6.079 2.226 -4.172 1.00 0.55 H new ATOM 0 HG11 VAL B 44 4.962 3.713 -5.806 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.347 3.963 -4.155 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.490 5.128 -4.865 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.276 2.989 -6.185 1.00 0.59 H new ATOM 0 HG22 VAL B 44 7.912 4.379 -5.273 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.379 2.724 -4.814 1.00 0.59 H new ATOM 1706 N VAL B 45 6.808 2.418 -0.836 1.00 0.47 N ATOM 1707 CA VAL B 45 7.274 1.349 0.073 1.00 0.46 C ATOM 1708 C VAL B 45 6.393 0.087 -0.071 1.00 0.48 C ATOM 1709 O VAL B 45 5.253 0.123 -0.538 1.00 0.51 O ATOM 1710 CB VAL B 45 7.403 1.827 1.539 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.796 3.286 1.637 1.00 0.61 C ATOM 1712 CG2 VAL B 45 6.121 1.861 2.338 1.00 0.62 C ATOM 0 H VAL B 45 6.036 2.973 -0.466 1.00 0.47 H new ATOM 0 HA VAL B 45 8.285 1.077 -0.229 1.00 0.46 H new ATOM 0 HB VAL B 45 8.123 1.102 1.918 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.873 3.572 2.686 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.758 3.437 1.148 1.00 0.61 H new ATOM 0 HG13 VAL B 45 7.040 3.900 1.148 1.00 0.61 H new ATOM 0 HG21 VAL B 45 6.331 2.211 3.349 1.00 0.62 H new ATOM 0 HG22 VAL B 45 5.412 2.537 1.860 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.693 0.859 2.382 1.00 0.62 H new ATOM 1722 N ALA B 46 7.005 -1.056 0.177 1.00 0.48 N ATOM 1723 CA ALA B 46 6.317 -2.359 0.089 1.00 0.51 C ATOM 1724 C ALA B 46 6.755 -3.294 1.221 1.00 0.51 C ATOM 1725 O ALA B 46 7.847 -3.148 1.775 1.00 0.50 O ATOM 1726 CB ALA B 46 6.600 -3.009 -1.270 1.00 0.55 C ATOM 0 H ALA B 46 7.987 -1.122 0.445 1.00 0.48 H new ATOM 0 HA ALA B 46 5.246 -2.186 0.190 1.00 0.51 H new ATOM 0 HB1 ALA B 46 6.089 -3.970 -1.327 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.239 -2.358 -2.067 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.673 -3.162 -1.384 1.00 0.55 H new ATOM 1732 N SER B 47 5.863 -4.210 1.569 1.00 0.54 N ATOM 1733 CA SER B 47 6.131 -5.236 2.591 1.00 0.57 C ATOM 1734 C SER B 47 5.917 -6.636 2.012 1.00 0.60 C ATOM 1735 O SER B 47 4.908 -6.927 1.357 1.00 0.63 O ATOM 1736 CB SER B 47 5.225 -5.066 3.810 1.00 0.60 C ATOM 1737 OG SER B 47 5.414 -3.769 4.381 1.00 0.58 O ATOM 0 H SER B 47 4.932 -4.271 1.157 1.00 0.54 H new ATOM 0 HA SER B 47 7.168 -5.115 2.903 1.00 0.57 H new ATOM 0 HB2 SER B 47 4.182 -5.197 3.520 1.00 0.60 H new ATOM 0 HB3 SER B 47 5.449 -5.835 4.550 1.00 0.60 H new ATOM 0 HG SER B 47 4.829 -3.666 5.161 1.00 0.58 H new ATOM 1743 N LEU B 48 6.879 -7.506 2.305 1.00 0.62 N ATOM 1744 CA LEU B 48 6.855 -8.890 1.854 1.00 0.67 C ATOM 1745 C LEU B 48 5.833 -9.704 2.645 1.00 0.71 C ATOM 1746 O LEU B 48 5.292 -9.239 3.649 1.00 0.70 O ATOM 1747 CB LEU B 48 8.245 -9.521 2.015 1.00 0.68 C ATOM 1748 CG LEU B 48 9.279 -9.144 0.946 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.800 -7.730 1.163 1.00 0.70 C ATOM 1750 CD2 LEU B 48 10.430 -10.140 0.953 1.00 0.75 C ATOM 0 H LEU B 48 7.699 -7.268 2.864 1.00 0.62 H new ATOM 0 HA LEU B 48 6.570 -8.897 0.802 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.640 -9.239 2.991 1.00 0.68 H new ATOM 0 HB3 LEU B 48 8.133 -10.605 2.018 1.00 0.68 H new ATOM 0 HG LEU B 48 8.789 -9.177 -0.027 1.00 0.70 H new ATOM 0 HD11 LEU B 48 10.531 -7.489 0.391 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.971 -7.025 1.110 1.00 0.70 H new ATOM 0 HD13 LEU B 48 10.272 -7.662 2.143 1.00 0.70 H new ATOM 0 HD21 LEU B 48 11.157 -9.861 0.190 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.910 -10.134 1.931 1.00 0.75 H new ATOM 0 HD23 LEU B 48 10.048 -11.139 0.743 1.00 0.75 H new ATOM 1762 N LYS B 49 5.580 -10.927 2.186 1.00 0.76 N ATOM 1763 CA LYS B 49 4.631 -11.817 2.848 1.00 0.82 C ATOM 1764 C LYS B 49 5.265 -12.454 4.088 1.00 0.84 C ATOM 1765 O LYS B 49 4.566 -12.971 4.962 1.00 0.89 O ATOM 1766 CB LYS B 49 4.160 -12.902 1.871 1.00 0.89 C ATOM 1767 CG LYS B 49 3.081 -13.817 2.433 1.00 0.98 C ATOM 1768 CD LYS B 49 1.797 -13.058 2.732 1.00 1.05 C ATOM 1769 CE LYS B 49 0.771 -13.946 3.419 1.00 1.23 C ATOM 1770 NZ LYS B 49 1.256 -14.435 4.740 1.00 1.27 N ATOM 0 H LYS B 49 6.020 -11.325 1.356 1.00 0.76 H new ATOM 0 HA LYS B 49 3.769 -11.232 3.168 1.00 0.82 H new ATOM 0 HB2 LYS B 49 3.781 -12.423 0.968 1.00 0.89 H new ATOM 0 HB3 LYS B 49 5.017 -13.507 1.576 1.00 0.89 H new ATOM 0 HG2 LYS B 49 2.874 -14.615 1.720 1.00 0.98 H new ATOM 0 HG3 LYS B 49 3.444 -14.290 3.345 1.00 0.98 H new ATOM 0 HD2 LYS B 49 2.020 -12.200 3.366 1.00 1.05 H new ATOM 0 HD3 LYS B 49 1.379 -12.668 1.804 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -0.157 -13.390 3.556 1.00 1.23 H new ATOM 0 HE3 LYS B 49 0.541 -14.798 2.779 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 0.451 -14.785 5.298 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 1.938 -15.206 4.595 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 1.718 -13.655 5.251 1.00 1.27 H new ATOM 1784 N ASN B 50 6.594 -12.396 4.161 1.00 0.81 N ATOM 1785 CA ASN B 50 7.333 -12.960 5.288 1.00 0.84 C ATOM 1786 C ASN B 50 7.187 -12.090 6.535 1.00 0.80 C ATOM 1787 O ASN B 50 7.430 -12.547 7.653 1.00 0.97 O ATOM 1788 CB ASN B 50 8.815 -13.105 4.930 1.00 0.86 C ATOM 1789 CG ASN B 50 9.044 -14.029 3.749 1.00 0.94 C ATOM 1790 OD1 ASN B 50 8.284 -14.971 3.524 1.00 0.99 O ATOM 1791 ND2 ASN B 50 10.097 -13.762 2.983 1.00 0.97 N ATOM 0 H ASN B 50 7.182 -11.962 3.450 1.00 0.81 H new ATOM 0 HA ASN B 50 6.915 -13.943 5.504 1.00 0.84 H new ATOM 0 HB2 ASN B 50 9.227 -12.122 4.702 1.00 0.86 H new ATOM 0 HB3 ASN B 50 9.358 -13.486 5.795 1.00 0.86 H new ATOM 0 HD21 ASN B 50 10.300 -14.348 2.173 1.00 0.97 H new ATOM 0 HD22 ASN B 50 10.702 -12.971 3.205 1.00 0.97 H new ATOM 1798 N GLY B 51 6.790 -10.835 6.338 1.00 0.67 N ATOM 1799 CA GLY B 51 6.618 -9.924 7.455 1.00 0.65 C ATOM 1800 C GLY B 51 7.730 -8.897 7.545 1.00 0.60 C ATOM 1801 O GLY B 51 8.157 -8.532 8.640 1.00 0.67 O ATOM 0 H GLY B 51 6.584 -10.433 5.423 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.661 -9.411 7.357 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.580 -10.495 8.383 1.00 0.65 H new ATOM 1805 N LYS B 52 8.202 -8.434 6.389 1.00 0.57 N ATOM 1806 CA LYS B 52 9.272 -7.443 6.345 1.00 0.55 C ATOM 1807 C LYS B 52 8.871 -6.231 5.512 1.00 0.51 C ATOM 1808 O LYS B 52 8.060 -6.336 4.602 1.00 0.60 O ATOM 1809 CB LYS B 52 10.556 -8.061 5.784 1.00 0.59 C ATOM 1810 CG LYS B 52 11.189 -9.095 6.704 1.00 0.66 C ATOM 1811 CD LYS B 52 12.609 -9.437 6.276 1.00 0.79 C ATOM 1812 CE LYS B 52 13.570 -8.291 6.556 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.954 -8.604 6.104 1.00 1.05 N ATOM 0 H LYS B 52 7.861 -8.729 5.474 1.00 0.57 H new ATOM 0 HA LYS B 52 9.455 -7.110 7.367 1.00 0.55 H new ATOM 0 HB2 LYS B 52 10.335 -8.528 4.824 1.00 0.59 H new ATOM 0 HB3 LYS B 52 11.278 -7.267 5.593 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.199 -8.715 7.726 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.582 -10.000 6.706 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.943 -10.330 6.804 1.00 0.79 H new ATOM 0 HD3 LYS B 52 12.622 -9.672 5.212 1.00 0.79 H new ATOM 0 HE2 LYS B 52 13.218 -7.391 6.052 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.577 -8.076 7.625 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 15.578 -7.798 6.313 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 15.300 -9.448 6.603 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.952 -8.784 5.080 1.00 1.05 H new ATOM 1827 N GLU B 53 9.455 -5.086 5.840 1.00 0.53 N ATOM 1828 CA GLU B 53 9.177 -3.822 5.140 1.00 0.50 C ATOM 1829 C GLU B 53 10.486 -3.206 4.633 1.00 0.50 C ATOM 1830 O GLU B 53 11.478 -3.110 5.363 1.00 0.52 O ATOM 1831 CB GLU B 53 8.447 -2.856 6.083 1.00 0.51 C ATOM 1832 CG GLU B 53 9.329 -2.425 7.262 1.00 0.66 C ATOM 1833 CD GLU B 53 8.573 -1.654 8.330 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.635 -2.260 8.888 1.00 0.67 O ATOM 1835 OE2 GLU B 53 9.009 -0.520 8.615 1.00 0.71 O ATOM 0 H GLU B 53 10.134 -4.999 6.596 1.00 0.53 H new ATOM 0 HA GLU B 53 8.535 -4.017 4.281 1.00 0.50 H new ATOM 0 HB2 GLU B 53 8.132 -1.974 5.525 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.543 -3.333 6.462 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.778 -3.310 7.713 1.00 0.66 H new ATOM 0 HG3 GLU B 53 10.146 -1.808 6.888 1.00 0.66 H new ATOM 1842 N ILE B 54 10.476 -2.858 3.366 1.00 0.47 N ATOM 1843 CA ILE B 54 11.646 -2.214 2.736 1.00 0.47 C ATOM 1844 C ILE B 54 11.210 -0.925 2.028 1.00 0.45 C ATOM 1845 O ILE B 54 10.018 -0.602 1.954 1.00 0.43 O ATOM 1846 CB ILE B 54 12.378 -3.198 1.801 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.470 -3.638 0.638 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.953 -4.377 2.609 1.00 0.52 C ATOM 1849 CD1 ILE B 54 12.166 -4.476 -0.436 1.00 0.49 C ATOM 0 H ILE B 54 9.684 -3.002 2.740 1.00 0.47 H new ATOM 0 HA ILE B 54 12.367 -1.934 3.504 1.00 0.47 H new ATOM 0 HB ILE B 54 13.226 -2.691 1.340 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.636 -4.212 1.043 1.00 0.47 H new ATOM 0 HG13 ILE B 54 11.048 -2.749 0.169 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.467 -5.063 1.936 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.658 -4.001 3.351 1.00 0.52 H new ATOM 0 HG23 ILE B 54 12.142 -4.903 3.113 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.449 -4.739 -1.214 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.982 -3.901 -0.874 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.564 -5.386 0.014 1.00 0.49 H new ATOM 1861 N CYS B 55 12.193 -0.266 1.434 1.00 0.45 N ATOM 1862 CA CYS B 55 11.968 0.961 0.660 1.00 0.44 C ATOM 1863 C CYS B 55 12.595 0.807 -0.718 1.00 0.45 C ATOM 1864 O CYS B 55 13.731 0.366 -0.864 1.00 0.48 O ATOM 1865 CB CYS B 55 12.616 2.151 1.361 1.00 0.44 C ATOM 1866 SG CYS B 55 11.796 2.615 2.926 1.00 0.44 S ATOM 0 H CYS B 55 13.169 -0.560 1.470 1.00 0.45 H new ATOM 0 HA CYS B 55 10.895 1.131 0.572 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.661 1.917 1.564 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.606 3.008 0.688 1.00 0.44 H new ATOM 1871 N LEU B 56 11.854 1.271 -1.697 1.00 0.44 N ATOM 1872 CA LEU B 56 12.283 1.181 -3.090 1.00 0.47 C ATOM 1873 C LEU B 56 12.527 2.596 -3.623 1.00 0.48 C ATOM 1874 O LEU B 56 11.908 3.566 -3.174 1.00 0.46 O ATOM 1875 CB LEU B 56 11.149 0.419 -3.790 1.00 0.46 C ATOM 1876 CG LEU B 56 10.824 -0.998 -3.300 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.831 -1.640 -4.269 1.00 0.47 C ATOM 1878 CD2 LEU B 56 12.066 -1.879 -3.157 1.00 0.49 C ATOM 0 H LEU B 56 10.947 1.718 -1.563 1.00 0.44 H new ATOM 0 HA LEU B 56 13.223 0.654 -3.251 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.242 1.018 -3.705 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.393 0.358 -4.851 1.00 0.46 H new ATOM 0 HG LEU B 56 10.390 -0.914 -2.304 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.592 -2.648 -3.931 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.919 -1.044 -4.304 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.272 -1.686 -5.265 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.772 -2.869 -2.807 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.562 -1.968 -4.124 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.751 -1.429 -2.438 1.00 0.49 H new ATOM 1890 N ASP B 57 13.383 2.711 -4.628 1.00 0.50 N ATOM 1891 CA ASP B 57 13.655 4.005 -5.240 1.00 0.52 C ATOM 1892 C ASP B 57 12.878 4.146 -6.551 1.00 0.54 C ATOM 1893 O ASP B 57 13.193 3.469 -7.531 1.00 0.59 O ATOM 1894 CB ASP B 57 15.150 4.180 -5.504 1.00 0.57 C ATOM 1895 CG ASP B 57 15.623 5.587 -5.202 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.951 6.547 -5.635 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.665 5.732 -4.528 1.00 0.63 O ATOM 0 H ASP B 57 13.898 1.931 -5.035 1.00 0.50 H new ATOM 0 HA ASP B 57 13.332 4.781 -4.546 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.710 3.471 -4.894 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.364 3.942 -6.546 1.00 0.57 H new ATOM 1902 N PRO B 58 11.851 5.031 -6.587 1.00 0.55 N ATOM 1903 CA PRO B 58 11.029 5.259 -7.791 1.00 0.61 C ATOM 1904 C PRO B 58 11.859 5.819 -8.941 1.00 0.69 C ATOM 1905 O PRO B 58 11.429 5.839 -10.095 1.00 0.83 O ATOM 1906 CB PRO B 58 9.983 6.286 -7.335 1.00 0.64 C ATOM 1907 CG PRO B 58 10.028 6.279 -5.845 1.00 0.60 C ATOM 1908 CD PRO B 58 11.425 5.883 -5.464 1.00 0.57 C ATOM 0 HA PRO B 58 10.589 4.335 -8.167 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.211 7.277 -7.728 1.00 0.64 H new ATOM 0 HB3 PRO B 58 8.990 6.020 -7.697 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.780 7.262 -5.445 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.301 5.577 -5.438 1.00 0.60 H new ATOM 0 HD2 PRO B 58 12.073 6.752 -5.350 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.446 5.343 -4.518 1.00 0.57 H new ATOM 1916 N GLU B 59 13.051 6.275 -8.588 1.00 0.65 N ATOM 1917 CA GLU B 59 14.028 6.831 -9.535 1.00 0.77 C ATOM 1918 C GLU B 59 14.603 5.784 -10.515 1.00 0.82 C ATOM 1919 O GLU B 59 15.205 6.135 -11.528 1.00 0.91 O ATOM 1920 CB GLU B 59 15.148 7.503 -8.734 1.00 0.83 C ATOM 1921 CG GLU B 59 16.081 8.303 -9.643 1.00 1.10 C ATOM 1922 CD GLU B 59 17.178 9.024 -8.870 1.00 1.18 C ATOM 1923 OE1 GLU B 59 17.957 8.322 -8.188 1.00 1.40 O ATOM 1924 OE2 GLU B 59 17.199 10.266 -8.982 1.00 1.28 O ATOM 0 H GLU B 59 13.380 6.273 -7.622 1.00 0.65 H new ATOM 0 HA GLU B 59 13.512 7.558 -10.162 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.714 8.164 -7.983 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.720 6.745 -8.199 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.536 7.632 -10.371 1.00 1.10 H new ATOM 0 HG3 GLU B 59 15.497 9.033 -10.204 1.00 1.10 H new ATOM 1931 N ALA B 60 14.438 4.506 -10.195 1.00 0.80 N ATOM 1932 CA ALA B 60 14.957 3.422 -11.032 1.00 0.88 C ATOM 1933 C ALA B 60 13.836 2.819 -11.899 1.00 0.91 C ATOM 1934 O ALA B 60 12.772 2.471 -11.380 1.00 0.89 O ATOM 1935 CB ALA B 60 15.589 2.382 -10.110 1.00 0.88 C ATOM 0 H ALA B 60 13.947 4.190 -9.359 1.00 0.80 H new ATOM 0 HA ALA B 60 15.711 3.797 -11.723 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.985 1.560 -10.706 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.398 2.842 -9.543 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.835 2.000 -9.422 1.00 0.88 H new ATOM 1941 N PRO B 61 14.122 2.592 -13.186 1.00 0.99 N ATOM 1942 CA PRO B 61 13.152 2.042 -14.155 1.00 1.03 C ATOM 1943 C PRO B 61 12.723 0.603 -13.839 1.00 1.03 C ATOM 1944 O PRO B 61 11.530 0.316 -13.772 1.00 1.01 O ATOM 1945 CB PRO B 61 13.858 2.138 -15.508 1.00 1.15 C ATOM 1946 CG PRO B 61 15.338 2.012 -15.148 1.00 1.19 C ATOM 1947 CD PRO B 61 15.440 2.781 -13.831 1.00 1.07 C ATOM 0 HA PRO B 61 12.217 2.602 -14.129 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.540 1.344 -16.184 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.645 3.084 -16.006 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.637 0.970 -15.031 1.00 1.19 H new ATOM 0 HG3 PRO B 61 15.978 2.443 -15.917 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.246 2.394 -13.207 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.649 3.837 -14.003 1.00 1.07 H new ATOM 1955 N PHE B 62 13.690 -0.230 -13.444 1.00 1.06 N ATOM 1956 CA PHE B 62 13.428 -1.628 -13.040 1.00 1.08 C ATOM 1957 C PHE B 62 12.490 -1.706 -11.830 1.00 0.98 C ATOM 1958 O PHE B 62 11.720 -2.648 -11.679 1.00 0.98 O ATOM 1959 CB PHE B 62 14.730 -2.375 -12.727 1.00 1.15 C ATOM 1960 CG PHE B 62 15.485 -1.799 -11.525 1.00 1.11 C ATOM 1961 CD1 PHE B 62 15.203 -2.252 -10.244 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.474 -0.845 -11.730 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.909 -1.755 -9.162 1.00 1.07 C ATOM 1964 CE2 PHE B 62 17.192 -0.358 -10.648 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.904 -0.804 -9.365 1.00 1.10 C ATOM 0 H PHE B 62 14.673 0.037 -13.393 1.00 1.06 H new ATOM 0 HA PHE B 62 12.940 -2.108 -13.888 1.00 1.08 H new ATOM 0 HB2 PHE B 62 14.502 -3.424 -12.536 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.378 -2.344 -13.603 1.00 1.15 H new ATOM 0 HD1 PHE B 62 14.432 -2.993 -10.091 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.683 -0.485 -12.727 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.688 -2.104 -8.164 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.976 0.369 -10.803 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.454 -0.412 -8.522 1.00 1.10 H new ATOM 1975 N LEU B 63 12.501 -0.647 -11.036 1.00 0.90 N ATOM 1976 CA LEU B 63 11.647 -0.562 -9.871 1.00 0.80 C ATOM 1977 C LEU B 63 10.219 -0.193 -10.277 1.00 0.83 C ATOM 1978 O LEU B 63 9.259 -0.610 -9.637 1.00 0.83 O ATOM 1979 CB LEU B 63 12.206 0.476 -8.910 1.00 0.71 C ATOM 1980 CG LEU B 63 11.895 0.222 -7.447 1.00 0.64 C ATOM 1981 CD1 LEU B 63 13.191 0.202 -6.652 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.927 1.278 -6.926 1.00 0.62 C ATOM 0 H LEU B 63 13.097 0.168 -11.182 1.00 0.90 H new ATOM 0 HA LEU B 63 11.620 -1.534 -9.378 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.288 0.520 -9.034 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.813 1.455 -9.186 1.00 0.71 H new ATOM 0 HG LEU B 63 11.411 -0.748 -7.333 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.970 0.020 -5.600 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.837 -0.590 -7.030 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.696 1.162 -6.755 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.711 1.086 -5.875 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.376 2.266 -7.030 1.00 0.62 H new ATOM 0 HD23 LEU B 63 10.001 1.238 -7.500 1.00 0.62 H new ATOM 1994 N LYS B 64 10.095 0.583 -11.359 1.00 0.87 N ATOM 1995 CA LYS B 64 8.791 1.008 -11.877 1.00 0.93 C ATOM 1996 C LYS B 64 8.080 -0.159 -12.579 1.00 0.97 C ATOM 1997 O LYS B 64 6.876 -0.118 -12.839 1.00 1.03 O ATOM 1998 CB LYS B 64 8.976 2.180 -12.848 1.00 1.02 C ATOM 1999 CG LYS B 64 7.676 2.864 -13.249 1.00 1.12 C ATOM 2000 CD LYS B 64 7.895 3.879 -14.363 1.00 1.30 C ATOM 2001 CE LYS B 64 8.220 3.203 -15.687 1.00 1.47 C ATOM 2002 NZ LYS B 64 8.355 4.186 -16.797 1.00 1.71 N ATOM 0 H LYS B 64 10.889 0.932 -11.896 1.00 0.87 H new ATOM 0 HA LYS B 64 8.170 1.331 -11.041 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.636 2.917 -12.390 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.476 1.819 -13.746 1.00 1.02 H new ATOM 0 HG2 LYS B 64 6.956 2.114 -13.576 1.00 1.12 H new ATOM 0 HG3 LYS B 64 7.244 3.363 -12.381 1.00 1.12 H new ATOM 0 HD2 LYS B 64 7.001 4.492 -14.478 1.00 1.30 H new ATOM 0 HD3 LYS B 64 8.708 4.550 -14.088 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.147 2.639 -15.588 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.435 2.487 -15.931 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 8.576 3.684 -17.680 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 7.462 4.707 -16.909 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 9.121 4.854 -16.578 1.00 1.71 H new ATOM 2016 N LYS B 65 8.854 -1.190 -12.881 1.00 0.98 N ATOM 2017 CA LYS B 65 8.354 -2.409 -13.543 1.00 1.04 C ATOM 2018 C LYS B 65 7.652 -3.370 -12.579 1.00 1.02 C ATOM 2019 O LYS B 65 6.457 -3.625 -12.715 1.00 1.07 O ATOM 2020 CB LYS B 65 9.512 -3.131 -14.221 1.00 1.07 C ATOM 2021 CG LYS B 65 10.107 -2.294 -15.352 1.00 1.14 C ATOM 2022 CD LYS B 65 11.190 -3.077 -16.099 1.00 1.20 C ATOM 2023 CE LYS B 65 10.637 -4.303 -16.837 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.673 -3.920 -17.879 1.00 1.36 N ATOM 0 H LYS B 65 9.853 -1.215 -12.677 1.00 0.98 H new ATOM 0 HA LYS B 65 7.613 -2.091 -14.276 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.285 -3.353 -13.485 1.00 1.07 H new ATOM 0 HB3 LYS B 65 9.166 -4.086 -14.617 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.320 -2.002 -16.047 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.531 -1.376 -14.946 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.679 -2.418 -16.816 1.00 1.20 H new ATOM 0 HD3 LYS B 65 11.953 -3.399 -15.390 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.459 -4.858 -17.288 1.00 1.27 H new ATOM 0 HE3 LYS B 65 10.155 -4.971 -16.123 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.449 -4.749 -18.466 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.803 -3.566 -17.433 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 10.085 -3.174 -18.476 1.00 1.36 H new ATOM 2038 N VAL B 66 8.385 -3.761 -11.535 1.00 0.96 N ATOM 2039 CA VAL B 66 7.868 -4.656 -10.510 1.00 0.95 C ATOM 2040 C VAL B 66 6.686 -4.033 -9.756 1.00 0.95 C ATOM 2041 O VAL B 66 5.814 -4.756 -9.279 1.00 0.97 O ATOM 2042 CB VAL B 66 8.969 -5.063 -9.506 1.00 0.92 C ATOM 2043 CG1 VAL B 66 10.042 -5.888 -10.202 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.587 -3.840 -8.838 1.00 0.91 C ATOM 0 H VAL B 66 9.349 -3.465 -11.381 1.00 0.96 H new ATOM 0 HA VAL B 66 7.517 -5.550 -11.026 1.00 0.95 H new ATOM 0 HB VAL B 66 8.507 -5.671 -8.729 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.811 -6.167 -9.481 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.594 -6.789 -10.621 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.491 -5.300 -11.002 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.358 -4.159 -8.137 1.00 0.91 H new ATOM 0 HG22 VAL B 66 10.031 -3.196 -9.597 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.814 -3.289 -8.301 1.00 0.91 H new ATOM 2054 N ILE B 67 6.647 -2.694 -9.652 1.00 0.95 N ATOM 2055 CA ILE B 67 5.534 -2.031 -8.971 1.00 0.97 C ATOM 2056 C ILE B 67 4.290 -2.071 -9.849 1.00 1.02 C ATOM 2057 O ILE B 67 3.170 -1.938 -9.358 1.00 1.08 O ATOM 2058 CB ILE B 67 5.830 -0.573 -8.550 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.130 0.302 -9.766 1.00 1.00 C ATOM 2060 CG2 ILE B 67 6.978 -0.531 -7.552 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.243 1.776 -9.439 1.00 1.07 C ATOM 0 H ILE B 67 7.359 -2.065 -10.023 1.00 0.95 H new ATOM 0 HA ILE B 67 5.372 -2.587 -8.048 1.00 0.97 H new ATOM 0 HB ILE B 67 4.940 -0.171 -8.066 1.00 0.99 H new ATOM 0 HG12 ILE B 67 7.061 -0.033 -10.223 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.343 0.162 -10.507 1.00 1.00 H new ATOM 0 HG21 ILE B 67 7.174 0.502 -7.266 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.712 -1.109 -6.667 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.872 -0.957 -8.008 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.457 2.335 -10.350 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.304 2.126 -9.010 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.049 1.929 -8.722 1.00 1.07 H new ATOM 2073 N GLN B 68 4.490 -2.221 -11.158 1.00 1.04 N ATOM 2074 CA GLN B 68 3.348 -2.355 -12.079 1.00 1.12 C ATOM 2075 C GLN B 68 2.655 -3.713 -11.884 1.00 1.11 C ATOM 2076 O GLN B 68 1.431 -3.782 -11.786 1.00 1.15 O ATOM 2077 CB GLN B 68 3.832 -2.222 -13.518 1.00 1.19 C ATOM 2078 CG GLN B 68 2.669 -1.908 -14.449 1.00 1.30 C ATOM 2079 CD GLN B 68 3.178 -1.640 -15.861 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.184 -2.155 -16.325 1.00 1.39 O ATOM 2081 NE2 GLN B 68 2.425 -0.831 -16.566 1.00 1.52 N ATOM 0 H GLN B 68 5.407 -2.253 -11.603 1.00 1.04 H new ATOM 0 HA GLN B 68 2.629 -1.565 -11.864 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.581 -1.432 -13.584 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.316 -3.147 -13.831 1.00 1.19 H new ATOM 0 HG2 GLN B 68 1.968 -2.743 -14.460 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.124 -1.039 -14.081 1.00 1.30 H new ATOM 0 HE21 GLN B 68 1.591 -0.417 -16.149 1.00 1.52 H new ATOM 0 HE22 GLN B 68 2.673 -0.615 -17.532 1.00 1.52 H new ATOM 2090 N LYS B 69 3.474 -4.761 -11.751 1.00 1.10 N ATOM 2091 CA LYS B 69 2.989 -6.131 -11.583 1.00 1.13 C ATOM 2092 C LYS B 69 2.335 -6.390 -10.219 1.00 1.15 C ATOM 2093 O LYS B 69 1.510 -7.295 -10.105 1.00 1.23 O ATOM 2094 CB LYS B 69 4.135 -7.121 -11.783 1.00 1.11 C ATOM 2095 CG LYS B 69 4.399 -7.477 -13.237 1.00 1.16 C ATOM 2096 CD LYS B 69 5.387 -8.627 -13.352 1.00 1.24 C ATOM 2097 CE LYS B 69 5.564 -9.074 -14.794 1.00 1.40 C ATOM 2098 NZ LYS B 69 6.412 -10.292 -14.898 1.00 1.61 N ATOM 0 H LYS B 69 4.491 -4.682 -11.757 1.00 1.10 H new ATOM 0 HA LYS B 69 2.217 -6.272 -12.340 1.00 1.13 H new ATOM 0 HB2 LYS B 69 5.044 -6.701 -11.352 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.913 -8.034 -11.231 1.00 1.11 H new ATOM 0 HG2 LYS B 69 3.462 -7.749 -13.723 1.00 1.16 H new ATOM 0 HG3 LYS B 69 4.789 -6.605 -13.762 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.351 -8.321 -12.945 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.039 -9.467 -12.751 1.00 1.24 H new ATOM 0 HE2 LYS B 69 4.587 -9.273 -15.235 1.00 1.40 H new ATOM 0 HE3 LYS B 69 6.015 -8.267 -15.371 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 6.508 -10.564 -15.897 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 7.353 -10.095 -14.501 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 5.969 -11.070 -14.369 1.00 1.61 H new ATOM 2112 N ILE B 70 2.696 -5.629 -9.181 1.00 1.14 N ATOM 2113 CA ILE B 70 2.095 -5.844 -7.858 1.00 1.20 C ATOM 2114 C ILE B 70 0.634 -5.401 -7.838 1.00 1.31 C ATOM 2115 O ILE B 70 -0.175 -5.930 -7.074 1.00 1.43 O ATOM 2116 CB ILE B 70 2.867 -5.135 -6.719 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.871 -3.620 -6.919 1.00 1.17 C ATOM 2118 CG2 ILE B 70 4.287 -5.676 -6.627 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.638 -2.864 -5.855 1.00 1.30 C ATOM 0 H ILE B 70 3.383 -4.877 -9.225 1.00 1.14 H new ATOM 0 HA ILE B 70 2.154 -6.917 -7.676 1.00 1.20 H new ATOM 0 HB ILE B 70 2.357 -5.343 -5.778 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.302 -3.393 -7.894 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.841 -3.262 -6.934 1.00 1.17 H new ATOM 0 HG21 ILE B 70 4.818 -5.168 -5.822 1.00 1.29 H new ATOM 0 HG22 ILE B 70 4.256 -6.746 -6.423 1.00 1.29 H new ATOM 0 HG23 ILE B 70 4.805 -5.501 -7.570 1.00 1.29 H new ATOM 0 HD11 ILE B 70 3.595 -1.795 -6.066 1.00 1.30 H new ATOM 0 HD12 ILE B 70 3.194 -3.059 -4.879 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.677 -3.192 -5.854 1.00 1.30 H new