USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1046 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 ASN : amide:sc= -0.579 K(o=-0.58,f=0.0043) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.543 K(o=-0.54,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot -120:sc= -2.37! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.294 USER MOD Single : A 20 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.9!) USER MOD Single : A 23 HIS : no HD1:sc= -3.6! 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 -148:sc= 0 (180deg=-0.216) USER MOD Single : A 28 SER OG : rot -120:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.524 K(o=-0.52,f=0) USER MOD Single : A 40 SER OG : rot -54:sc= 0.198 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc=-0.00674 (180deg=-0.195) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.49) 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=-0.00599 (180deg=-0.14) USER MOD Single : A 68 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -0.546 K(o=-0.55,f=-4.2!) USER MOD Single : B 18 THR OG1 : rot -130:sc= -3.03! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.286 USER MOD Single : B 20 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.8!) USER MOD Single : B 23 HIS : no HD1:sc= -3.74! 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 148:sc= -0.09 (180deg=-0.647) USER MOD Single : B 28 SER OG : rot -145:sc= -0.312 USER MOD Single : B 29 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= -1 K(o=-1,f=-0.096) USER MOD Single : B 40 SER OG : rot 180:sc= 0 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+ 134:sc= -0.0677 (180deg=-0.498) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.55) 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+ 169:sc=-0.00934 (180deg=-0.126) USER MOD Single : B 68 GLN : amide:sc=-0.00931 X(o=-0.0093,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.002 -18.647 15.352 1.00 0.81 N ATOM 2 CA LEU A 8 -7.578 -19.158 14.087 1.00 0.78 C ATOM 3 C LEU A 8 -9.033 -19.624 14.316 1.00 0.78 C ATOM 4 O LEU A 8 -9.318 -20.771 14.654 1.00 0.80 O ATOM 5 CB LEU A 8 -6.682 -20.284 13.539 1.00 0.80 C ATOM 6 CG LEU A 8 -7.053 -20.816 12.141 1.00 0.78 C ATOM 7 CD1 LEU A 8 -5.816 -21.452 11.509 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.133 -21.902 12.166 1.00 0.78 C ATOM 0 HA LEU A 8 -7.611 -18.364 13.341 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -5.654 -19.922 13.508 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -6.706 -21.117 14.242 1.00 0.80 H new ATOM 0 HG LEU A 8 -7.432 -19.960 11.582 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.068 -21.832 10.519 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.027 -20.705 11.421 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -5.469 -22.274 12.135 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.344 -22.229 11.148 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -7.783 -22.750 12.755 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.042 -21.501 12.613 1.00 0.78 H new ATOM 20 N ARG A 9 -9.903 -18.629 14.355 1.00 0.76 N ATOM 21 CA ARG A 9 -11.342 -18.870 14.568 1.00 0.76 C ATOM 22 C ARG A 9 -12.192 -18.114 13.548 1.00 0.72 C ATOM 23 O ARG A 9 -12.845 -18.719 12.701 1.00 0.71 O ATOM 24 CB ARG A 9 -11.758 -18.594 16.025 1.00 0.79 C ATOM 25 CG ARG A 9 -11.460 -17.171 16.508 1.00 0.78 C ATOM 26 CD ARG A 9 -12.080 -16.895 17.873 1.00 0.82 C ATOM 27 NE ARG A 9 -11.838 -15.486 18.243 1.00 0.81 N ATOM 28 CZ ARG A 9 -10.690 -14.957 18.671 1.00 0.83 C ATOM 29 NH1 ARG A 9 -9.589 -15.689 18.806 1.00 0.84 N ATOM 30 NH2 ARG A 9 -10.642 -13.677 19.017 1.00 0.83 N ATOM 0 H ARG A 9 -9.651 -17.647 14.244 1.00 0.76 H new ATOM 0 HA ARG A 9 -11.531 -19.930 14.398 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -12.827 -18.783 16.127 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.245 -19.301 16.677 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -10.381 -17.024 16.562 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -11.843 -16.453 15.783 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.151 -17.097 17.846 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -11.649 -17.559 18.622 1.00 0.82 H new ATOM 0 HE ARG A 9 -12.632 -14.850 18.163 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -9.607 -16.684 18.580 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -8.726 -15.256 19.135 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -11.481 -13.100 18.955 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -9.766 -13.270 19.345 1.00 0.83 H new ATOM 44 N GLU A 10 -12.130 -16.782 13.619 1.00 0.70 N ATOM 45 CA GLU A 10 -12.968 -15.877 12.821 1.00 0.67 C ATOM 46 C GLU A 10 -12.254 -14.543 12.603 1.00 0.65 C ATOM 47 O GLU A 10 -11.878 -13.859 13.556 1.00 0.67 O ATOM 48 CB GLU A 10 -14.290 -15.610 13.547 1.00 0.69 C ATOM 49 CG GLU A 10 -15.158 -16.867 13.683 1.00 0.71 C ATOM 50 CD GLU A 10 -16.508 -16.609 14.349 1.00 0.73 C ATOM 51 OE1 GLU A 10 -17.006 -15.466 14.231 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.028 -17.573 14.948 1.00 0.76 O ATOM 0 H GLU A 10 -11.487 -16.292 14.241 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.160 -16.351 11.859 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.080 -15.210 14.539 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -14.848 -14.845 13.007 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.326 -17.291 12.693 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -14.614 -17.613 14.262 1.00 0.71 H new ATOM 59 N LEU A 11 -11.955 -14.299 11.339 1.00 0.62 N ATOM 60 CA LEU A 11 -11.289 -13.061 10.903 1.00 0.60 C ATOM 61 C LEU A 11 -12.100 -12.383 9.799 1.00 0.57 C ATOM 62 O LEU A 11 -12.636 -13.042 8.907 1.00 0.56 O ATOM 63 CB LEU A 11 -9.884 -13.391 10.399 1.00 0.60 C ATOM 64 CG LEU A 11 -9.009 -13.960 11.516 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.430 -15.309 11.089 1.00 0.65 C ATOM 66 CD2 LEU A 11 -7.901 -12.972 11.879 1.00 0.64 C ATOM 0 H LEU A 11 -12.162 -14.946 10.578 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.217 -12.376 11.747 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -9.948 -14.111 9.583 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.420 -12.491 9.994 1.00 0.60 H new ATOM 0 HG LEU A 11 -9.620 -14.117 12.405 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -7.808 -15.708 11.890 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.243 -16.004 10.881 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -7.826 -15.178 10.191 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.286 -13.391 12.676 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.280 -12.783 11.003 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.345 -12.036 12.218 1.00 0.64 H new ATOM 78 N ARG A 12 -12.150 -11.068 9.898 1.00 0.56 N ATOM 79 CA ARG A 12 -12.948 -10.231 8.984 1.00 0.54 C ATOM 80 C ARG A 12 -11.998 -9.521 8.026 1.00 0.51 C ATOM 81 O ARG A 12 -10.880 -9.161 8.403 1.00 0.51 O ATOM 82 CB ARG A 12 -13.732 -9.181 9.793 1.00 0.55 C ATOM 83 CG ARG A 12 -14.423 -9.717 11.056 1.00 0.59 C ATOM 84 CD ARG A 12 -15.263 -10.957 10.748 1.00 0.59 C ATOM 85 NE ARG A 12 -16.032 -11.392 11.913 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.346 -11.231 11.963 1.00 0.65 C ATOM 87 NH1 ARG A 12 -17.868 -10.065 12.314 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.135 -12.271 11.759 1.00 0.66 N ATOM 0 H ARG A 12 -11.644 -10.539 10.608 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.651 -10.853 8.429 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -13.048 -8.383 10.082 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.487 -8.735 9.146 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.672 -9.962 11.807 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -15.059 -8.941 11.482 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -15.942 -10.741 9.924 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.611 -11.766 10.420 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.549 -11.826 12.700 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.257 -9.283 12.548 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -18.881 -9.950 12.350 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -17.731 -13.187 11.565 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.148 -12.158 11.795 1.00 0.66 H new ATOM 102 N CYS A 13 -12.456 -9.314 6.794 1.00 0.49 N ATOM 103 CA CYS A 13 -11.707 -8.510 5.814 1.00 0.47 C ATOM 104 C CYS A 13 -11.401 -7.122 6.401 1.00 0.47 C ATOM 105 O CYS A 13 -12.147 -6.616 7.242 1.00 0.48 O ATOM 106 CB CYS A 13 -12.540 -8.356 4.542 1.00 0.47 C ATOM 107 SG CYS A 13 -12.584 -9.846 3.480 1.00 0.48 S ATOM 0 H CYS A 13 -13.339 -9.688 6.445 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.769 -9.012 5.578 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.561 -8.093 4.821 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.144 -7.523 3.962 1.00 0.47 H new ATOM 112 N VAL A 14 -10.296 -6.532 5.952 1.00 0.45 N ATOM 113 CA VAL A 14 -9.908 -5.169 6.399 1.00 0.45 C ATOM 114 C VAL A 14 -10.990 -4.125 6.040 1.00 0.44 C ATOM 115 O VAL A 14 -11.176 -3.128 6.730 1.00 0.45 O ATOM 116 CB VAL A 14 -8.493 -4.789 5.895 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.353 -4.654 4.375 1.00 0.43 C ATOM 118 CG2 VAL A 14 -7.980 -3.505 6.550 1.00 0.45 C ATOM 0 H VAL A 14 -9.651 -6.958 5.287 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.847 -5.173 7.487 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.884 -5.642 6.193 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.326 -4.386 4.127 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.605 -5.602 3.901 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -9.028 -3.877 4.015 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -6.985 -3.275 6.169 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.657 -2.683 6.318 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -7.932 -3.642 7.630 1.00 0.45 H new ATOM 128 N CYS A 15 -11.676 -4.398 4.934 1.00 0.44 N ATOM 129 CA CYS A 15 -12.767 -3.570 4.400 1.00 0.44 C ATOM 130 C CYS A 15 -14.077 -4.351 4.343 1.00 0.46 C ATOM 131 O CYS A 15 -14.237 -5.258 3.526 1.00 0.46 O ATOM 132 CB CYS A 15 -12.432 -3.121 2.982 1.00 0.43 C ATOM 133 SG CYS A 15 -11.154 -1.831 2.937 1.00 0.42 S ATOM 0 H CYS A 15 -11.488 -5.223 4.364 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.881 -2.713 5.064 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.095 -3.981 2.403 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.336 -2.748 2.501 1.00 0.43 H new ATOM 138 N LEU A 16 -14.948 -4.037 5.292 1.00 0.48 N ATOM 139 CA LEU A 16 -16.304 -4.620 5.318 1.00 0.51 C ATOM 140 C LEU A 16 -17.303 -3.904 4.394 1.00 0.53 C ATOM 141 O LEU A 16 -18.184 -4.535 3.802 1.00 0.55 O ATOM 142 CB LEU A 16 -16.837 -4.680 6.754 1.00 0.54 C ATOM 143 CG LEU A 16 -16.032 -5.644 7.642 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.574 -5.593 9.070 1.00 0.57 C ATOM 145 CD2 LEU A 16 -16.077 -7.086 7.119 1.00 0.53 C ATOM 0 H LEU A 16 -14.753 -3.388 6.054 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.207 -5.632 4.926 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.810 -3.681 7.190 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.881 -4.993 6.738 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.990 -5.323 7.623 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -16.004 -6.276 9.700 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.482 -4.579 9.458 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.623 -5.888 9.072 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.495 -7.730 7.778 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.110 -7.432 7.094 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.658 -7.122 6.113 1.00 0.53 H new ATOM 157 N GLN A 17 -17.127 -2.608 4.260 1.00 0.53 N ATOM 158 CA GLN A 17 -17.972 -1.725 3.446 1.00 0.55 C ATOM 159 C GLN A 17 -17.181 -1.210 2.230 1.00 0.53 C ATOM 160 O GLN A 17 -16.002 -1.510 2.048 1.00 0.50 O ATOM 161 CB GLN A 17 -18.520 -0.566 4.301 1.00 0.57 C ATOM 162 CG GLN A 17 -17.489 0.482 4.756 1.00 0.56 C ATOM 163 CD GLN A 17 -16.483 0.000 5.812 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.516 -1.078 6.383 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.535 0.846 6.123 1.00 0.53 N ATOM 0 H GLN A 17 -16.368 -2.111 4.726 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.827 -2.290 3.074 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.299 -0.058 3.732 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -18.996 -0.987 5.187 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.936 0.826 3.882 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -18.024 1.344 5.155 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.488 1.753 5.658 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.843 0.599 6.830 1.00 0.53 H new ATOM 174 N THR A 18 -17.867 -0.385 1.461 1.00 0.56 N ATOM 175 CA THR A 18 -17.303 0.255 0.259 1.00 0.55 C ATOM 176 C THR A 18 -17.530 1.777 0.276 1.00 0.57 C ATOM 177 O THR A 18 -18.059 2.339 1.238 1.00 0.58 O ATOM 178 CB THR A 18 -17.910 -0.439 -0.973 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.263 0.065 -2.138 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.431 -0.272 -1.097 1.00 0.62 C ATOM 0 H THR A 18 -18.838 -0.130 1.643 1.00 0.56 H new ATOM 0 HA THR A 18 -16.220 0.133 0.229 1.00 0.55 H new ATOM 0 HB THR A 18 -17.743 -1.510 -0.858 1.00 0.57 H new ATOM 0 HG1 THR A 18 -17.926 0.484 -2.725 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.782 -0.789 -1.990 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.916 -0.695 -0.218 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.676 0.788 -1.172 1.00 0.62 H new ATOM 188 N THR A 19 -17.212 2.420 -0.841 1.00 0.57 N ATOM 189 CA THR A 19 -17.340 3.868 -1.068 1.00 0.59 C ATOM 190 C THR A 19 -17.416 4.166 -2.576 1.00 0.61 C ATOM 191 O THR A 19 -16.894 3.423 -3.416 1.00 0.60 O ATOM 192 CB THR A 19 -16.149 4.607 -0.419 1.00 0.56 C ATOM 193 OG1 THR A 19 -16.108 4.319 0.983 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.202 6.129 -0.575 1.00 0.58 C ATOM 0 H THR A 19 -16.840 1.931 -1.655 1.00 0.57 H new ATOM 0 HA THR A 19 -18.261 4.224 -0.606 1.00 0.59 H new ATOM 0 HB THR A 19 -15.262 4.248 -0.941 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.524 3.548 1.142 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.332 6.575 -0.093 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.202 6.386 -1.634 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.110 6.511 -0.109 1.00 0.58 H new ATOM 202 N GLN A 20 -18.083 5.273 -2.867 1.00 0.65 N ATOM 203 CA GLN A 20 -18.263 5.830 -4.212 1.00 0.68 C ATOM 204 C GLN A 20 -17.863 7.309 -4.281 1.00 0.68 C ATOM 205 O GLN A 20 -18.677 8.230 -4.342 1.00 0.72 O ATOM 206 CB GLN A 20 -19.690 5.579 -4.734 1.00 0.72 C ATOM 207 CG GLN A 20 -20.847 6.263 -3.995 1.00 0.75 C ATOM 208 CD GLN A 20 -21.064 5.810 -2.548 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.595 4.804 -2.038 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.872 6.560 -1.845 1.00 0.76 N ATOM 0 H GLN A 20 -18.535 5.836 -2.146 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.583 5.302 -4.880 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.726 5.892 -5.777 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.870 4.504 -4.717 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.672 7.339 -3.998 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.766 6.088 -4.554 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.272 7.403 -2.256 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -22.102 6.302 -0.885 1.00 0.76 H new ATOM 219 N GLY A 21 -16.546 7.501 -4.213 1.00 0.65 N ATOM 220 CA GLY A 21 -16.000 8.845 -4.390 1.00 0.65 C ATOM 221 C GLY A 21 -15.829 9.177 -5.887 1.00 0.68 C ATOM 222 O GLY A 21 -16.030 8.298 -6.718 1.00 0.69 O ATOM 0 H GLY A 21 -15.857 6.769 -4.042 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.662 9.575 -3.925 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -15.037 8.920 -3.884 1.00 0.65 H new ATOM 226 N VAL A 22 -15.299 10.323 -6.300 1.00 0.69 N ATOM 227 CA VAL A 22 -14.615 11.486 -5.660 1.00 0.68 C ATOM 228 C VAL A 22 -13.430 11.854 -6.580 1.00 0.67 C ATOM 229 O VAL A 22 -13.262 11.269 -7.647 1.00 0.68 O ATOM 230 CB VAL A 22 -14.148 11.291 -4.188 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.957 10.335 -4.005 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.969 12.612 -3.429 1.00 0.65 C ATOM 0 H VAL A 22 -15.343 10.508 -7.302 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.348 12.287 -5.566 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.985 10.774 -3.718 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.706 10.265 -2.947 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.222 9.347 -4.381 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -12.097 10.715 -4.557 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.643 12.405 -2.410 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -13.220 13.223 -3.933 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.917 13.149 -3.404 1.00 0.65 H new ATOM 242 N HIS A 23 -12.575 12.770 -6.140 1.00 0.66 N ATOM 243 CA HIS A 23 -11.360 13.122 -6.875 1.00 0.66 C ATOM 244 C HIS A 23 -10.114 12.784 -6.030 1.00 0.62 C ATOM 245 O HIS A 23 -10.124 13.010 -4.814 1.00 0.60 O ATOM 246 CB HIS A 23 -11.417 14.609 -7.249 1.00 0.69 C ATOM 247 CG HIS A 23 -10.328 14.983 -8.258 1.00 0.70 C ATOM 248 ND1 HIS A 23 -9.050 15.189 -7.961 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.479 15.194 -9.563 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.408 15.544 -9.071 1.00 0.70 C ATOM 251 NE2 HIS A 23 -9.295 15.546 -10.061 1.00 0.73 N ATOM 0 H HIS A 23 -12.700 13.288 -5.270 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.291 12.541 -7.795 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.396 14.841 -7.668 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.303 15.215 -6.350 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.399 15.097 -10.120 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.359 15.786 -9.153 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -9.102 15.778 -11.035 1.00 0.73 H new ATOM 259 N PRO A 24 -9.042 12.318 -6.694 1.00 0.61 N ATOM 260 CA PRO A 24 -7.720 12.057 -6.086 1.00 0.58 C ATOM 261 C PRO A 24 -7.192 13.243 -5.284 1.00 0.58 C ATOM 262 O PRO A 24 -6.349 13.052 -4.420 1.00 0.56 O ATOM 263 CB PRO A 24 -6.765 11.888 -7.260 1.00 0.60 C ATOM 264 CG PRO A 24 -7.647 11.324 -8.361 1.00 0.62 C ATOM 265 CD PRO A 24 -8.999 11.985 -8.134 1.00 0.64 C ATOM 0 HA PRO A 24 -7.800 11.200 -5.418 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.317 12.838 -7.552 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.946 11.211 -7.016 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.250 11.559 -9.349 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.719 10.238 -8.296 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -9.105 12.880 -8.747 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.814 11.314 -8.406 1.00 0.64 H new ATOM 273 N LYS A 25 -7.690 14.445 -5.577 1.00 0.61 N ATOM 274 CA LYS A 25 -7.306 15.694 -4.906 1.00 0.61 C ATOM 275 C LYS A 25 -7.403 15.597 -3.373 1.00 0.59 C ATOM 276 O LYS A 25 -6.630 16.222 -2.659 1.00 0.59 O ATOM 277 CB LYS A 25 -8.216 16.814 -5.407 1.00 0.65 C ATOM 278 CG LYS A 25 -7.418 18.109 -5.557 1.00 0.67 C ATOM 279 CD LYS A 25 -8.267 19.271 -6.082 1.00 0.70 C ATOM 280 CE LYS A 25 -9.278 19.757 -5.043 1.00 0.71 C ATOM 281 NZ LYS A 25 -9.188 21.215 -4.908 1.00 0.74 N ATOM 0 H LYS A 25 -8.390 14.584 -6.306 1.00 0.61 H new ATOM 0 HA LYS A 25 -6.262 15.898 -5.146 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.656 16.535 -6.365 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -9.040 16.964 -4.709 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.993 18.383 -4.591 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.583 17.939 -6.236 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.615 20.097 -6.367 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.795 18.956 -6.982 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -10.287 19.472 -5.342 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -9.084 19.281 -4.082 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.877 21.541 -4.201 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -8.229 21.477 -4.603 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -9.394 21.662 -5.824 1.00 0.74 H new ATOM 295 N MET A 26 -8.317 14.744 -2.908 1.00 0.58 N ATOM 296 CA MET A 26 -8.495 14.450 -1.474 1.00 0.58 C ATOM 297 C MET A 26 -7.600 13.306 -0.965 1.00 0.54 C ATOM 298 O MET A 26 -7.380 13.154 0.239 1.00 0.54 O ATOM 299 CB MET A 26 -9.969 14.159 -1.182 1.00 0.59 C ATOM 300 CG MET A 26 -10.854 15.403 -1.350 1.00 0.67 C ATOM 301 SD MET A 26 -10.551 16.722 -0.115 1.00 0.79 S ATOM 302 CE MET A 26 -9.586 17.889 -1.054 1.00 1.08 C ATOM 0 H MET A 26 -8.960 14.233 -3.513 1.00 0.58 H new ATOM 0 HA MET A 26 -8.179 15.339 -0.928 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.321 13.373 -1.850 1.00 0.59 H new ATOM 0 HB3 MET A 26 -10.068 13.781 -0.165 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.697 15.813 -2.347 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.900 15.100 -1.291 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.884 18.397 -0.392 1.00 1.08 H new ATOM 0 HE2 MET A 26 -9.034 17.362 -1.833 1.00 1.08 H new ATOM 0 HE3 MET A 26 -10.248 18.623 -1.512 1.00 1.08 H new ATOM 312 N ILE A 27 -7.106 12.485 -1.885 1.00 0.52 N ATOM 313 CA ILE A 27 -6.262 11.345 -1.529 1.00 0.50 C ATOM 314 C ILE A 27 -4.779 11.721 -1.535 1.00 0.51 C ATOM 315 O ILE A 27 -4.311 12.422 -2.432 1.00 0.58 O ATOM 316 CB ILE A 27 -6.492 10.162 -2.500 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.991 9.864 -2.648 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.745 8.921 -2.027 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.678 9.488 -1.348 1.00 0.57 C ATOM 0 H ILE A 27 -7.275 12.586 -2.886 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.543 11.044 -0.520 1.00 0.50 H new ATOM 0 HB ILE A 27 -6.100 10.445 -3.477 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.485 10.740 -3.068 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -8.120 9.052 -3.363 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.921 8.102 -2.725 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.677 9.135 -1.981 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.102 8.637 -1.037 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.734 9.293 -1.537 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.212 8.593 -0.936 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.583 10.308 -0.636 1.00 0.57 H new ATOM 331 N SER A 28 -4.044 11.247 -0.526 1.00 0.49 N ATOM 332 CA SER A 28 -2.617 11.525 -0.418 1.00 0.54 C ATOM 333 C SER A 28 -1.824 10.251 -0.112 1.00 0.55 C ATOM 334 O SER A 28 -0.597 10.236 -0.211 1.00 0.69 O ATOM 335 CB SER A 28 -2.364 12.581 0.661 1.00 0.61 C ATOM 336 OG SER A 28 -2.932 13.826 0.293 1.00 0.69 O ATOM 0 H SER A 28 -4.418 10.669 0.227 1.00 0.49 H new ATOM 0 HA SER A 28 -2.275 11.910 -1.379 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.789 12.248 1.608 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.292 12.698 0.817 1.00 0.61 H new ATOM 0 HG SER A 28 -2.227 14.505 0.243 1.00 0.69 H new ATOM 342 N ASN A 29 -2.533 9.185 0.258 1.00 0.51 N ATOM 343 CA ASN A 29 -1.895 7.906 0.570 1.00 0.51 C ATOM 344 C ASN A 29 -2.732 6.739 0.045 1.00 0.50 C ATOM 345 O ASN A 29 -3.945 6.698 0.248 1.00 0.51 O ATOM 346 CB ASN A 29 -1.684 7.769 2.085 1.00 0.54 C ATOM 347 CG ASN A 29 -1.189 6.391 2.490 1.00 0.57 C ATOM 348 OD1 ASN A 29 -0.001 6.089 2.392 1.00 0.64 O ATOM 349 ND2 ASN A 29 -2.102 5.549 2.962 1.00 0.78 N ATOM 0 H ASN A 29 -3.549 9.181 0.349 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.923 7.881 0.076 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -0.966 8.519 2.416 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.623 7.978 2.598 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -1.827 4.613 3.259 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -3.078 5.839 3.027 1.00 0.78 H new ATOM 356 N LEU A 30 -2.077 5.794 -0.629 1.00 0.54 N ATOM 357 CA LEU A 30 -2.765 4.628 -1.176 1.00 0.56 C ATOM 358 C LEU A 30 -2.144 3.329 -0.671 1.00 0.57 C ATOM 359 O LEU A 30 -0.933 3.143 -0.734 1.00 0.74 O ATOM 360 CB LEU A 30 -2.735 4.652 -2.706 1.00 0.60 C ATOM 361 CG LEU A 30 -3.391 3.443 -3.383 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.902 3.491 -3.213 1.00 0.69 C ATOM 363 CD2 LEU A 30 -3.022 3.384 -4.857 1.00 0.73 C ATOM 0 H LEU A 30 -1.073 5.814 -0.808 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.800 4.671 -0.837 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -3.234 5.558 -3.051 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.697 4.715 -3.034 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.018 2.539 -2.902 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.351 2.625 -3.700 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.149 3.479 -2.151 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -5.290 4.403 -3.666 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.499 2.518 -5.317 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -3.362 4.292 -5.354 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.940 3.299 -4.958 1.00 0.73 H new ATOM 375 N GLN A 31 -2.985 2.428 -0.181 1.00 0.50 N ATOM 376 CA GLN A 31 -2.527 1.141 0.328 1.00 0.51 C ATOM 377 C GLN A 31 -3.207 -0.008 -0.407 1.00 0.52 C ATOM 378 O GLN A 31 -4.431 -0.141 -0.375 1.00 0.61 O ATOM 379 CB GLN A 31 -2.804 1.034 1.827 1.00 0.54 C ATOM 380 CG GLN A 31 -1.909 1.915 2.679 1.00 0.61 C ATOM 381 CD GLN A 31 -2.212 1.800 4.161 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.027 2.549 4.701 1.00 1.16 O ATOM 383 NE2 GLN A 31 -1.554 0.859 4.828 1.00 1.16 N ATOM 0 H GLN A 31 -3.994 2.566 -0.125 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.453 1.074 0.157 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.844 1.299 2.015 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.679 -0.003 2.137 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -0.868 1.645 2.503 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -2.026 2.953 2.368 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -0.887 0.260 4.341 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -1.715 0.735 5.828 1.00 1.16 H new ATOM 392 N VAL A 32 -2.409 -0.836 -1.075 1.00 0.49 N ATOM 393 CA VAL A 32 -2.941 -1.974 -1.818 1.00 0.51 C ATOM 394 C VAL A 32 -2.741 -3.275 -1.045 1.00 0.50 C ATOM 395 O VAL A 32 -1.620 -3.768 -0.916 1.00 0.61 O ATOM 396 CB VAL A 32 -2.291 -2.098 -3.214 1.00 0.56 C ATOM 397 CG1 VAL A 32 -3.003 -3.154 -4.048 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.302 -0.753 -3.929 1.00 0.59 C ATOM 0 H VAL A 32 -1.394 -0.741 -1.117 1.00 0.49 H new ATOM 0 HA VAL A 32 -4.008 -1.796 -1.948 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.255 -2.410 -3.083 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.529 -3.225 -5.027 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -2.941 -4.119 -3.544 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.050 -2.876 -4.171 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -1.840 -0.859 -4.911 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.331 -0.412 -4.047 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.743 -0.024 -3.342 1.00 0.59 H new ATOM 408 N PHE A 33 -3.839 -3.823 -0.531 1.00 0.48 N ATOM 409 CA PHE A 33 -3.799 -5.064 0.240 1.00 0.49 C ATOM 410 C PHE A 33 -4.194 -6.260 -0.622 1.00 0.52 C ATOM 411 O PHE A 33 -5.239 -6.245 -1.276 1.00 0.57 O ATOM 412 CB PHE A 33 -4.744 -4.974 1.441 1.00 0.52 C ATOM 413 CG PHE A 33 -4.207 -4.165 2.589 1.00 0.53 C ATOM 414 CD1 PHE A 33 -4.364 -2.787 2.622 1.00 0.60 C ATOM 415 CD2 PHE A 33 -3.553 -4.786 3.639 1.00 0.63 C ATOM 416 CE1 PHE A 33 -3.876 -2.047 3.683 1.00 0.68 C ATOM 417 CE2 PHE A 33 -3.060 -4.050 4.701 1.00 0.73 C ATOM 418 CZ PHE A 33 -3.224 -2.679 4.722 1.00 0.72 C ATOM 0 H PHE A 33 -4.772 -3.425 -0.635 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.776 -5.205 0.589 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.688 -4.538 1.114 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.963 -5.982 1.793 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -4.873 -2.287 1.811 1.00 0.60 H new ATOM 0 HD2 PHE A 33 -3.426 -5.858 3.629 1.00 0.63 H new ATOM 0 HE1 PHE A 33 -4.005 -0.975 3.699 1.00 0.68 H new ATOM 0 HE2 PHE A 33 -2.548 -4.546 5.512 1.00 0.73 H new ATOM 0 HZ PHE A 33 -2.842 -2.102 5.551 1.00 0.72 H new ATOM 428 N ALA A 34 -3.356 -7.297 -0.619 1.00 0.53 N ATOM 429 CA ALA A 34 -3.636 -8.504 -1.392 1.00 0.58 C ATOM 430 C ALA A 34 -4.400 -9.531 -0.550 1.00 0.58 C ATOM 431 O ALA A 34 -5.017 -9.185 0.459 1.00 0.62 O ATOM 432 CB ALA A 34 -2.343 -9.106 -1.923 1.00 0.66 C ATOM 0 H ALA A 34 -2.483 -7.324 -0.093 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.265 -8.227 -2.238 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.569 -10.005 -2.497 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.841 -8.382 -2.565 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.691 -9.363 -1.088 1.00 0.66 H new ATOM 438 N ILE A 35 -4.361 -10.790 -0.981 1.00 0.63 N ATOM 439 CA ILE A 35 -5.042 -11.871 -0.275 1.00 0.65 C ATOM 440 C ILE A 35 -4.285 -12.257 0.998 1.00 0.62 C ATOM 441 O ILE A 35 -3.091 -12.554 0.956 1.00 0.68 O ATOM 442 CB ILE A 35 -5.197 -13.108 -1.189 1.00 0.77 C ATOM 443 CG1 ILE A 35 -6.136 -12.784 -2.357 1.00 0.91 C ATOM 444 CG2 ILE A 35 -5.709 -14.311 -0.402 1.00 0.80 C ATOM 445 CD1 ILE A 35 -6.220 -13.883 -3.394 1.00 1.14 C ATOM 0 H ILE A 35 -3.862 -11.087 -1.820 1.00 0.63 H new ATOM 0 HA ILE A 35 -6.032 -11.512 0.005 1.00 0.65 H new ATOM 0 HB ILE A 35 -4.216 -13.366 -1.588 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -7.134 -12.589 -1.965 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.798 -11.867 -2.839 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -5.809 -15.167 -1.070 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -5.004 -14.552 0.394 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -6.680 -14.075 0.033 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -6.903 -13.582 -4.189 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -5.231 -14.063 -3.814 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -6.588 -14.797 -2.927 1.00 1.14 H new ATOM 457 N GLY A 36 -4.992 -12.243 2.127 1.00 0.61 N ATOM 458 CA GLY A 36 -4.377 -12.588 3.397 1.00 0.63 C ATOM 459 C GLY A 36 -5.133 -13.678 4.137 1.00 0.65 C ATOM 460 O GLY A 36 -5.969 -14.364 3.548 1.00 0.66 O ATOM 0 H GLY A 36 -5.981 -11.998 2.184 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.352 -12.916 3.223 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.324 -11.698 4.024 1.00 0.63 H new ATOM 464 N PRO A 37 -4.853 -13.863 5.443 1.00 0.69 N ATOM 465 CA PRO A 37 -5.510 -14.880 6.272 1.00 0.74 C ATOM 466 C PRO A 37 -6.899 -14.453 6.746 1.00 0.72 C ATOM 467 O PRO A 37 -7.632 -15.243 7.341 1.00 0.77 O ATOM 468 CB PRO A 37 -4.566 -15.024 7.481 1.00 0.81 C ATOM 469 CG PRO A 37 -3.393 -14.137 7.209 1.00 0.79 C ATOM 470 CD PRO A 37 -3.862 -13.112 6.219 1.00 0.71 C ATOM 0 HA PRO A 37 -5.669 -15.803 5.715 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.068 -14.732 8.403 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.249 -16.060 7.605 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.044 -13.661 8.126 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -2.557 -14.710 6.809 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.302 -12.244 6.709 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.047 -12.747 5.594 1.00 0.71 H new ATOM 478 N GLN A 38 -7.255 -13.201 6.479 1.00 0.66 N ATOM 479 CA GLN A 38 -8.562 -12.667 6.892 1.00 0.65 C ATOM 480 C GLN A 38 -9.488 -12.360 5.703 1.00 0.61 C ATOM 481 O GLN A 38 -10.697 -12.222 5.869 1.00 0.62 O ATOM 482 CB GLN A 38 -8.342 -11.415 7.749 1.00 0.65 C ATOM 483 CG GLN A 38 -7.657 -10.262 7.008 1.00 0.60 C ATOM 484 CD GLN A 38 -7.479 -9.064 7.936 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.796 -9.107 8.945 1.00 0.73 O ATOM 486 NE2 GLN A 38 -8.060 -7.954 7.553 1.00 0.61 N ATOM 0 H GLN A 38 -6.665 -12.534 5.981 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.068 -13.436 7.475 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.306 -11.070 8.124 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -7.740 -11.683 8.617 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.686 -10.588 6.634 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.252 -9.974 6.142 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.627 -7.941 6.705 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -7.945 -7.102 8.103 1.00 0.61 H new ATOM 495 N CYS A 39 -8.896 -12.192 4.524 1.00 0.57 N ATOM 496 CA CYS A 39 -9.656 -11.850 3.326 1.00 0.55 C ATOM 497 C CYS A 39 -9.103 -12.570 2.102 1.00 0.61 C ATOM 498 O CYS A 39 -7.891 -12.707 1.949 1.00 0.71 O ATOM 499 CB CYS A 39 -9.603 -10.332 3.112 1.00 0.49 C ATOM 500 SG CYS A 39 -11.020 -9.633 2.201 1.00 0.47 S ATOM 0 H CYS A 39 -7.892 -12.287 4.373 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.689 -12.168 3.463 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.540 -9.845 4.085 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.688 -10.088 2.573 1.00 0.49 H new ATOM 505 N SER A 40 -9.999 -13.027 1.233 1.00 0.67 N ATOM 506 CA SER A 40 -9.596 -13.728 0.020 1.00 0.78 C ATOM 507 C SER A 40 -9.838 -12.852 -1.210 1.00 0.74 C ATOM 508 O SER A 40 -10.028 -13.351 -2.319 1.00 0.97 O ATOM 509 CB SER A 40 -10.365 -15.047 -0.105 1.00 0.92 C ATOM 510 OG SER A 40 -9.759 -15.906 -1.056 1.00 1.07 O ATOM 0 H SER A 40 -11.007 -12.924 1.346 1.00 0.67 H new ATOM 0 HA SER A 40 -8.530 -13.947 0.081 1.00 0.78 H new ATOM 0 HB2 SER A 40 -10.402 -15.543 0.865 1.00 0.92 H new ATOM 0 HB3 SER A 40 -11.395 -14.844 -0.399 1.00 0.92 H new ATOM 0 HG SER A 40 -9.666 -15.435 -1.910 1.00 1.07 H new ATOM 516 N LYS A 41 -9.815 -11.538 -1.002 1.00 0.72 N ATOM 517 CA LYS A 41 -10.042 -10.586 -2.082 1.00 0.69 C ATOM 518 C LYS A 41 -9.141 -9.360 -1.926 1.00 0.68 C ATOM 519 O LYS A 41 -8.777 -8.986 -0.810 1.00 0.70 O ATOM 520 CB LYS A 41 -11.513 -10.155 -2.092 1.00 0.68 C ATOM 521 CG LYS A 41 -11.913 -9.333 -3.309 1.00 0.77 C ATOM 522 CD LYS A 41 -13.357 -8.865 -3.210 1.00 0.88 C ATOM 523 CE LYS A 41 -13.746 -8.007 -4.404 1.00 1.07 C ATOM 524 NZ LYS A 41 -15.136 -7.481 -4.283 1.00 1.29 N ATOM 0 H LYS A 41 -9.641 -11.109 -0.093 1.00 0.72 H new ATOM 0 HA LYS A 41 -9.799 -11.071 -3.027 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.141 -11.045 -2.046 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -11.716 -9.574 -1.192 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -11.254 -8.469 -3.400 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -11.783 -9.929 -4.212 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -14.018 -9.730 -3.151 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -13.494 -8.295 -2.291 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -13.049 -7.174 -4.494 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -13.659 -8.595 -5.317 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.362 -6.902 -5.117 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -15.804 -8.276 -4.223 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -15.213 -6.898 -3.425 1.00 1.29 H new ATOM 538 N VAL A 42 -8.782 -8.747 -3.053 1.00 0.67 N ATOM 539 CA VAL A 42 -7.937 -7.556 -3.045 1.00 0.68 C ATOM 540 C VAL A 42 -8.774 -6.307 -2.782 1.00 0.67 C ATOM 541 O VAL A 42 -9.805 -6.090 -3.424 1.00 0.75 O ATOM 542 CB VAL A 42 -7.167 -7.396 -4.376 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.052 -8.424 -4.473 1.00 0.80 C ATOM 544 CG2 VAL A 42 -8.107 -7.514 -5.569 1.00 0.83 C ATOM 0 H VAL A 42 -9.064 -9.056 -3.983 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.210 -7.679 -2.242 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.724 -6.400 -4.392 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.521 -8.297 -5.416 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.358 -8.287 -3.644 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.477 -9.427 -4.428 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.539 -7.398 -6.492 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -8.587 -8.493 -5.559 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -8.868 -6.736 -5.511 1.00 0.83 H new ATOM 554 N GLU A 43 -8.341 -5.489 -1.825 1.00 0.60 N ATOM 555 CA GLU A 43 -9.070 -4.274 -1.478 1.00 0.59 C ATOM 556 C GLU A 43 -8.113 -3.087 -1.411 1.00 0.58 C ATOM 557 O GLU A 43 -7.069 -3.157 -0.761 1.00 0.63 O ATOM 558 CB GLU A 43 -9.792 -4.455 -0.138 1.00 0.60 C ATOM 559 CG GLU A 43 -10.524 -5.784 -0.028 1.00 0.66 C ATOM 560 CD GLU A 43 -11.320 -5.919 1.247 1.00 0.70 C ATOM 561 OE1 GLU A 43 -10.713 -5.884 2.336 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.552 -6.074 1.156 1.00 0.79 O ATOM 0 H GLU A 43 -7.493 -5.645 -1.279 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.814 -4.077 -2.250 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.066 -4.379 0.672 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.506 -3.642 -0.004 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.194 -5.894 -0.881 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -9.800 -6.596 -0.085 1.00 0.66 H new ATOM 569 N VAL A 44 -8.471 -1.998 -2.086 1.00 0.55 N ATOM 570 CA VAL A 44 -7.623 -0.812 -2.112 1.00 0.56 C ATOM 571 C VAL A 44 -8.106 0.267 -1.145 1.00 0.54 C ATOM 572 O VAL A 44 -9.112 0.938 -1.375 1.00 0.57 O ATOM 573 CB VAL A 44 -7.504 -0.211 -3.529 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.534 -1.021 -4.373 1.00 0.66 C ATOM 575 CG2 VAL A 44 -8.860 -0.136 -4.208 1.00 0.64 C ATOM 0 H VAL A 44 -9.337 -1.913 -2.619 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.638 -1.151 -1.792 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.118 0.804 -3.431 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.463 -0.582 -5.368 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.550 -1.015 -3.903 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -6.891 -2.048 -4.454 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.745 0.291 -5.204 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.282 -1.138 -4.289 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.528 0.492 -3.619 1.00 0.64 H new ATOM 585 N VAL A 45 -7.374 0.407 -0.054 1.00 0.51 N ATOM 586 CA VAL A 45 -7.667 1.424 0.978 1.00 0.50 C ATOM 587 C VAL A 45 -6.859 2.716 0.722 1.00 0.51 C ATOM 588 O VAL A 45 -5.837 2.733 0.034 1.00 0.54 O ATOM 589 CB VAL A 45 -7.490 0.880 2.414 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.464 -0.633 2.460 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.161 1.171 3.073 1.00 0.67 C ATOM 0 H VAL A 45 -6.560 -0.171 0.154 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.723 1.682 0.896 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.329 1.368 2.910 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.338 -0.964 3.491 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -8.401 -1.025 2.065 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -6.634 -1.001 1.857 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.150 0.743 4.075 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.358 0.731 2.482 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -6.015 2.249 3.138 1.00 0.67 H new ATOM 601 N ALA A 46 -7.433 3.829 1.139 1.00 0.52 N ATOM 602 CA ALA A 46 -6.803 5.156 0.978 1.00 0.54 C ATOM 603 C ALA A 46 -7.022 6.027 2.218 1.00 0.55 C ATOM 604 O ALA A 46 -7.978 5.825 2.974 1.00 0.55 O ATOM 605 CB ALA A 46 -7.367 5.853 -0.266 1.00 0.58 C ATOM 0 H ALA A 46 -8.344 3.855 1.598 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.730 5.012 0.855 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.899 6.831 -0.379 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -7.160 5.247 -1.148 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.444 5.977 -0.156 1.00 0.58 H new ATOM 611 N SER A 47 -6.097 6.953 2.425 1.00 0.57 N ATOM 612 CA SER A 47 -6.177 7.927 3.528 1.00 0.60 C ATOM 613 C SER A 47 -6.111 9.355 2.986 1.00 0.64 C ATOM 614 O SER A 47 -5.260 9.702 2.155 1.00 0.65 O ATOM 615 CB SER A 47 -5.040 7.732 4.531 1.00 0.63 C ATOM 616 OG SER A 47 -5.028 6.380 4.997 1.00 0.62 O ATOM 0 H SER A 47 -5.268 7.059 1.840 1.00 0.57 H new ATOM 0 HA SER A 47 -7.129 7.762 4.033 1.00 0.60 H new ATOM 0 HB2 SER A 47 -4.085 7.973 4.063 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.164 8.414 5.372 1.00 0.63 H new ATOM 0 HG SER A 47 -4.296 6.261 5.638 1.00 0.62 H new ATOM 622 N LEU A 48 -7.025 10.189 3.469 1.00 0.66 N ATOM 623 CA LEU A 48 -7.098 11.587 3.059 1.00 0.71 C ATOM 624 C LEU A 48 -6.037 12.417 3.773 1.00 0.74 C ATOM 625 O LEU A 48 -5.388 11.943 4.709 1.00 0.74 O ATOM 626 CB LEU A 48 -8.489 12.160 3.356 1.00 0.72 C ATOM 627 CG LEU A 48 -9.603 11.734 2.391 1.00 0.74 C ATOM 628 CD1 LEU A 48 -10.116 10.342 2.730 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.741 12.745 2.419 1.00 0.79 C ATOM 0 H LEU A 48 -7.732 9.918 4.152 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.915 11.633 1.986 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.775 11.865 4.366 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.423 13.248 3.348 1.00 0.72 H new ATOM 0 HG LEU A 48 -9.188 11.703 1.384 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.905 10.065 2.031 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.298 9.625 2.657 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.513 10.338 3.745 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.524 12.430 1.730 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -11.149 12.806 3.428 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.366 13.724 2.119 1.00 0.79 H new ATOM 641 N LYS A 49 -5.868 13.663 3.334 1.00 0.80 N ATOM 642 CA LYS A 49 -4.889 14.565 3.936 1.00 0.86 C ATOM 643 C LYS A 49 -5.391 15.087 5.282 1.00 0.87 C ATOM 644 O LYS A 49 -4.614 15.584 6.099 1.00 0.93 O ATOM 645 CB LYS A 49 -4.593 15.732 2.989 1.00 0.94 C ATOM 646 CG LYS A 49 -3.374 16.554 3.382 1.00 1.01 C ATOM 647 CD LYS A 49 -2.094 15.737 3.298 1.00 1.07 C ATOM 648 CE LYS A 49 -0.878 16.558 3.695 1.00 1.20 C ATOM 649 NZ LYS A 49 -0.966 17.037 5.103 1.00 1.23 N ATOM 0 H LYS A 49 -6.397 14.071 2.563 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.967 14.009 4.107 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.446 15.341 1.982 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.464 16.387 2.953 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -3.295 17.423 2.728 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -3.500 16.929 4.397 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -2.174 14.867 3.949 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.966 15.364 2.282 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.022 15.956 3.572 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.783 17.413 3.026 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -0.039 17.398 5.406 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.672 17.798 5.167 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -1.249 16.250 5.721 1.00 1.23 H new ATOM 663 N ASN A 50 -6.698 14.962 5.507 1.00 0.84 N ATOM 664 CA ASN A 50 -7.316 15.412 6.752 1.00 0.88 C ATOM 665 C ASN A 50 -7.095 14.394 7.870 1.00 0.84 C ATOM 666 O ASN A 50 -7.199 14.724 9.052 1.00 1.01 O ATOM 667 CB ASN A 50 -8.817 15.640 6.547 1.00 0.90 C ATOM 668 CG ASN A 50 -9.112 16.658 5.461 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.343 17.593 5.243 1.00 1.05 O ATOM 670 ND2 ASN A 50 -10.232 16.476 4.769 1.00 1.01 N ATOM 0 H ASN A 50 -7.351 14.551 4.840 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.847 16.352 7.042 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.292 14.693 6.291 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -9.261 15.976 7.484 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.482 17.126 4.024 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.841 15.687 4.983 1.00 1.01 H new ATOM 677 N GLY A 51 -6.791 13.155 7.487 1.00 0.70 N ATOM 678 CA GLY A 51 -6.559 12.108 8.464 1.00 0.69 C ATOM 679 C GLY A 51 -7.719 11.136 8.558 1.00 0.64 C ATOM 680 O GLY A 51 -8.160 10.789 9.653 1.00 0.69 O ATOM 0 H GLY A 51 -6.702 12.859 6.515 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.653 11.563 8.200 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.386 12.559 9.441 1.00 0.69 H new ATOM 684 N LYS A 52 -8.215 10.700 7.403 1.00 0.60 N ATOM 685 CA LYS A 52 -9.333 9.762 7.348 1.00 0.57 C ATOM 686 C LYS A 52 -8.989 8.562 6.474 1.00 0.53 C ATOM 687 O LYS A 52 -8.150 8.658 5.586 1.00 0.62 O ATOM 688 CB LYS A 52 -10.583 10.454 6.800 1.00 0.62 C ATOM 689 CG LYS A 52 -11.144 11.528 7.721 1.00 0.70 C ATOM 690 CD LYS A 52 -12.303 12.272 7.074 1.00 0.86 C ATOM 691 CE LYS A 52 -13.502 11.362 6.854 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.632 12.079 6.203 1.00 1.19 N ATOM 0 H LYS A 52 -7.859 10.982 6.490 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.531 9.414 8.362 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.345 10.903 5.836 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.353 9.704 6.621 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.479 11.071 8.652 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.356 12.235 7.979 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.594 13.112 7.705 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -11.981 12.687 6.119 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.206 10.515 6.236 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.832 10.958 7.811 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.429 11.424 6.071 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -14.932 12.873 6.804 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.326 12.442 5.278 1.00 1.19 H new ATOM 706 N GLU A 53 -9.639 7.433 6.731 1.00 0.52 N ATOM 707 CA GLU A 53 -9.398 6.207 5.953 1.00 0.49 C ATOM 708 C GLU A 53 -10.734 5.593 5.518 1.00 0.49 C ATOM 709 O GLU A 53 -11.664 5.446 6.317 1.00 0.51 O ATOM 710 CB GLU A 53 -8.585 5.211 6.792 1.00 0.49 C ATOM 711 CG GLU A 53 -9.368 4.711 8.013 1.00 0.63 C ATOM 712 CD GLU A 53 -8.523 3.907 8.984 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.551 4.502 9.497 1.00 0.64 O ATOM 714 OE2 GLU A 53 -8.918 2.752 9.247 1.00 0.69 O ATOM 0 H GLU A 53 -10.337 7.333 7.468 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.826 6.452 5.058 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.301 4.361 6.171 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.662 5.686 7.124 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.795 5.566 8.537 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.202 4.096 7.674 1.00 0.63 H new ATOM 721 N ILE A 54 -10.816 5.304 4.241 1.00 0.47 N ATOM 722 CA ILE A 54 -12.020 4.669 3.671 1.00 0.47 C ATOM 723 C ILE A 54 -11.621 3.421 2.871 1.00 0.45 C ATOM 724 O ILE A 54 -10.437 3.123 2.694 1.00 0.43 O ATOM 725 CB ILE A 54 -12.836 5.680 2.843 1.00 0.49 C ATOM 726 CG1 ILE A 54 -12.026 6.188 1.635 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.363 6.811 3.745 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.814 7.062 0.656 1.00 0.51 C ATOM 0 H ILE A 54 -10.076 5.491 3.565 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.675 4.341 4.478 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.710 5.180 2.427 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.172 6.757 2.002 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.629 5.329 1.095 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.937 7.517 3.145 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -14.002 6.390 4.521 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.523 7.328 4.208 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.162 7.372 -0.161 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.653 6.493 0.255 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.189 7.944 1.176 1.00 0.51 H new ATOM 740 N CYS A 55 -12.638 2.772 2.326 1.00 0.46 N ATOM 741 CA CYS A 55 -12.456 1.586 1.479 1.00 0.44 C ATOM 742 C CYS A 55 -13.189 1.792 0.162 1.00 0.46 C ATOM 743 O CYS A 55 -14.340 2.219 0.121 1.00 0.49 O ATOM 744 CB CYS A 55 -13.032 0.357 2.170 1.00 0.45 C ATOM 745 SG CYS A 55 -12.087 -0.166 3.644 1.00 0.43 S ATOM 0 H CYS A 55 -13.613 3.045 2.453 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.391 1.439 1.301 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -14.061 0.565 2.464 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.064 -0.468 1.458 1.00 0.45 H new ATOM 750 N LEU A 56 -12.519 1.384 -0.893 1.00 0.46 N ATOM 751 CA LEU A 56 -13.056 1.532 -2.242 1.00 0.49 C ATOM 752 C LEU A 56 -13.320 0.138 -2.820 1.00 0.50 C ATOM 753 O LEU A 56 -12.654 -0.842 -2.466 1.00 0.48 O ATOM 754 CB LEU A 56 -11.988 2.343 -2.990 1.00 0.49 C ATOM 755 CG LEU A 56 -11.646 3.743 -2.459 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.740 4.446 -3.469 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.887 4.596 -2.183 1.00 0.51 C ATOM 0 H LEU A 56 -11.599 0.945 -0.850 1.00 0.46 H new ATOM 0 HA LEU A 56 -14.013 2.051 -2.306 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.070 1.756 -3.001 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.312 2.448 -4.025 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.137 3.621 -1.503 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.490 5.442 -3.103 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.825 3.868 -3.601 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.257 4.530 -4.425 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.581 5.573 -1.810 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.455 4.721 -3.105 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.510 4.102 -1.437 1.00 0.51 H new ATOM 769 N ASP A 57 -14.255 0.046 -3.753 1.00 0.53 N ATOM 770 CA ASP A 57 -14.552 -1.229 -4.397 1.00 0.54 C ATOM 771 C ASP A 57 -13.900 -1.287 -5.781 1.00 0.57 C ATOM 772 O ASP A 57 -14.318 -0.569 -6.690 1.00 0.62 O ATOM 773 CB ASP A 57 -16.061 -1.434 -4.529 1.00 0.59 C ATOM 774 CG ASP A 57 -16.472 -2.871 -4.274 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.825 -3.783 -4.833 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.439 -3.085 -3.515 1.00 0.67 O ATOM 0 H ASP A 57 -14.818 0.831 -4.081 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.146 -2.026 -3.774 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.577 -0.781 -3.825 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.379 -1.140 -5.529 1.00 0.59 H new ATOM 781 N PRO A 58 -12.865 -2.145 -5.961 1.00 0.58 N ATOM 782 CA PRO A 58 -12.160 -2.292 -7.253 1.00 0.64 C ATOM 783 C PRO A 58 -13.094 -2.782 -8.356 1.00 0.73 C ATOM 784 O PRO A 58 -12.780 -2.707 -9.543 1.00 0.86 O ATOM 785 CB PRO A 58 -11.077 -3.340 -6.965 1.00 0.68 C ATOM 786 CG PRO A 58 -10.959 -3.406 -5.481 1.00 0.63 C ATOM 787 CD PRO A 58 -12.309 -3.040 -4.931 1.00 0.59 C ATOM 0 HA PRO A 58 -11.758 -1.343 -7.608 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.352 -4.310 -7.379 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.128 -3.057 -7.420 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.666 -4.405 -5.159 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.194 -2.718 -5.121 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.935 -3.920 -4.783 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.228 -2.540 -3.966 1.00 0.59 H new ATOM 795 N GLU A 59 -14.244 -3.281 -7.924 1.00 0.69 N ATOM 796 CA GLU A 59 -15.299 -3.786 -8.813 1.00 0.81 C ATOM 797 C GLU A 59 -15.959 -2.687 -9.676 1.00 0.87 C ATOM 798 O GLU A 59 -16.649 -2.981 -10.651 1.00 0.96 O ATOM 799 CB GLU A 59 -16.346 -4.509 -7.957 1.00 0.84 C ATOM 800 CG GLU A 59 -16.956 -5.694 -8.704 1.00 1.11 C ATOM 801 CD GLU A 59 -17.865 -6.540 -7.820 1.00 1.18 C ATOM 802 OE1 GLU A 59 -17.306 -7.447 -7.173 1.00 1.29 O ATOM 803 OE2 GLU A 59 -19.084 -6.257 -7.812 1.00 1.35 O ATOM 0 H GLU A 59 -14.480 -3.350 -6.934 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.839 -4.472 -9.524 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -15.885 -4.858 -7.033 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -17.134 -3.810 -7.676 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -17.525 -5.326 -9.558 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -16.156 -6.320 -9.100 1.00 1.11 H new ATOM 810 N ALA A 60 -15.766 -1.430 -9.297 1.00 0.84 N ATOM 811 CA ALA A 60 -16.356 -0.301 -10.020 1.00 0.92 C ATOM 812 C ALA A 60 -15.315 0.357 -10.948 1.00 0.95 C ATOM 813 O ALA A 60 -14.209 0.678 -10.505 1.00 0.92 O ATOM 814 CB ALA A 60 -16.903 0.682 -8.990 1.00 0.91 C ATOM 0 H ALA A 60 -15.203 -1.162 -8.490 1.00 0.84 H new ATOM 0 HA ALA A 60 -17.169 -0.641 -10.661 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.349 1.535 -9.502 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.660 0.187 -8.381 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -16.091 1.027 -8.350 1.00 0.91 H new ATOM 820 N PRO A 61 -15.715 0.658 -12.190 1.00 1.04 N ATOM 821 CA PRO A 61 -14.832 1.267 -13.206 1.00 1.08 C ATOM 822 C PRO A 61 -14.376 2.687 -12.843 1.00 1.06 C ATOM 823 O PRO A 61 -13.181 2.974 -12.869 1.00 1.05 O ATOM 824 CB PRO A 61 -15.655 1.247 -14.494 1.00 1.20 C ATOM 825 CG PRO A 61 -17.097 1.344 -13.997 1.00 1.24 C ATOM 826 CD PRO A 61 -17.083 0.501 -12.722 1.00 1.13 C ATOM 0 HA PRO A 61 -13.899 0.711 -13.297 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -15.399 2.081 -15.147 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.487 0.333 -15.063 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -17.385 2.376 -13.795 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.803 0.954 -14.730 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.829 0.849 -12.008 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.309 -0.544 -12.935 1.00 1.13 H new ATOM 834 N PHE A 62 -15.304 3.492 -12.319 1.00 1.08 N ATOM 835 CA PHE A 62 -15.007 4.865 -11.858 1.00 1.08 C ATOM 836 C PHE A 62 -13.966 4.874 -10.734 1.00 0.97 C ATOM 837 O PHE A 62 -13.184 5.811 -10.597 1.00 0.97 O ATOM 838 CB PHE A 62 -16.275 5.586 -11.387 1.00 1.15 C ATOM 839 CG PHE A 62 -16.921 4.938 -10.161 1.00 1.13 C ATOM 840 CD1 PHE A 62 -16.525 5.317 -8.885 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.924 3.993 -10.332 1.00 1.18 C ATOM 842 CE1 PHE A 62 -17.134 4.754 -7.775 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.544 3.441 -9.220 1.00 1.19 C ATOM 844 CZ PHE A 62 -18.143 3.814 -7.946 1.00 1.15 C ATOM 0 H PHE A 62 -16.280 3.219 -12.200 1.00 1.08 H new ATOM 0 HA PHE A 62 -14.597 5.397 -12.716 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -16.030 6.622 -11.155 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -16.998 5.605 -12.203 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.742 6.050 -8.758 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -18.220 3.689 -11.325 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.826 5.044 -6.781 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -19.339 2.721 -9.347 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.617 3.372 -7.082 1.00 1.15 H new ATOM 854 N LEU A 63 -13.925 3.790 -9.981 1.00 0.89 N ATOM 855 CA LEU A 63 -12.979 3.659 -8.894 1.00 0.79 C ATOM 856 C LEU A 63 -11.571 3.423 -9.434 1.00 0.80 C ATOM 857 O LEU A 63 -10.588 3.817 -8.812 1.00 0.80 O ATOM 858 CB LEU A 63 -13.401 2.516 -7.988 1.00 0.72 C ATOM 859 CG LEU A 63 -12.977 2.672 -6.541 1.00 0.64 C ATOM 860 CD1 LEU A 63 -14.208 2.664 -5.650 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.997 1.568 -6.162 1.00 0.63 C ATOM 0 H LEU A 63 -14.540 2.986 -10.105 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.969 4.584 -8.318 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.486 2.420 -8.027 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -12.984 1.587 -8.378 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.466 3.625 -6.404 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.904 2.776 -4.609 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.864 3.489 -5.928 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.740 1.721 -5.773 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.698 1.688 -5.121 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.475 0.597 -6.292 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -11.116 1.628 -6.801 1.00 0.63 H new ATOM 873 N LYS A 64 -11.490 2.789 -10.605 1.00 0.85 N ATOM 874 CA LYS A 64 -10.210 2.502 -11.255 1.00 0.90 C ATOM 875 C LYS A 64 -9.573 3.792 -11.783 1.00 0.94 C ATOM 876 O LYS A 64 -8.367 3.862 -11.988 1.00 0.99 O ATOM 877 CB LYS A 64 -10.424 1.504 -12.396 1.00 1.00 C ATOM 878 CG LYS A 64 -9.143 1.057 -13.084 1.00 1.10 C ATOM 879 CD LYS A 64 -9.431 0.170 -14.286 1.00 1.26 C ATOM 880 CE LYS A 64 -10.121 0.940 -15.403 1.00 1.46 C ATOM 881 NZ LYS A 64 -10.337 0.094 -16.609 1.00 1.71 N ATOM 0 H LYS A 64 -12.303 2.462 -11.126 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.531 2.064 -10.523 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -10.938 0.626 -12.004 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.083 1.954 -13.138 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -8.577 1.932 -13.404 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.518 0.516 -12.374 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -8.498 -0.252 -14.658 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -10.059 -0.666 -13.979 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -11.080 1.315 -15.046 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -9.519 1.808 -15.671 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -10.809 0.655 -17.347 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -9.420 -0.244 -16.965 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -10.933 -0.721 -16.359 1.00 1.71 H new ATOM 895 N LYS A 65 -10.409 4.800 -11.994 1.00 0.94 N ATOM 896 CA LYS A 65 -9.985 6.124 -12.482 1.00 0.99 C ATOM 897 C LYS A 65 -9.273 6.958 -11.412 1.00 0.96 C ATOM 898 O LYS A 65 -8.095 7.282 -11.558 1.00 1.01 O ATOM 899 CB LYS A 65 -11.199 6.890 -12.992 1.00 1.02 C ATOM 900 CG LYS A 65 -11.818 6.209 -14.214 1.00 1.09 C ATOM 901 CD LYS A 65 -12.963 7.049 -14.785 1.00 1.15 C ATOM 902 CE LYS A 65 -12.490 8.397 -15.348 1.00 1.21 C ATOM 903 NZ LYS A 65 -11.563 8.217 -16.478 1.00 1.29 N ATOM 0 H LYS A 65 -11.414 4.730 -11.832 1.00 0.94 H new ATOM 0 HA LYS A 65 -9.268 5.952 -13.285 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.943 6.964 -12.199 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.906 7.908 -13.250 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -11.055 6.060 -14.978 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -12.189 5.222 -13.937 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -13.462 6.486 -15.574 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.702 7.226 -14.004 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -13.352 8.979 -15.673 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.998 8.968 -14.561 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -11.410 9.131 -16.950 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -10.655 7.852 -16.127 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -11.969 7.541 -17.156 1.00 1.29 H new ATOM 917 N VAL A 66 -9.967 7.159 -10.292 1.00 0.90 N ATOM 918 CA VAL A 66 -9.425 7.911 -9.168 1.00 0.88 C ATOM 919 C VAL A 66 -8.164 7.241 -8.599 1.00 0.88 C ATOM 920 O VAL A 66 -7.299 7.917 -8.042 1.00 0.91 O ATOM 921 CB VAL A 66 -10.480 8.092 -8.051 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.723 8.764 -8.609 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.846 6.761 -7.408 1.00 0.85 C ATOM 0 H VAL A 66 -10.913 6.807 -10.142 1.00 0.90 H new ATOM 0 HA VAL A 66 -9.150 8.896 -9.546 1.00 0.88 H new ATOM 0 HB VAL A 66 -10.044 8.727 -7.279 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -12.459 8.886 -7.814 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -11.458 9.742 -9.012 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -12.145 8.147 -9.402 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.589 6.926 -6.628 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -11.256 6.092 -8.165 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.955 6.311 -6.971 1.00 0.85 H new ATOM 933 N ILE A 67 -8.058 5.911 -8.743 1.00 0.88 N ATOM 934 CA ILE A 67 -6.874 5.194 -8.263 1.00 0.91 C ATOM 935 C ILE A 67 -5.794 5.193 -9.341 1.00 0.98 C ATOM 936 O ILE A 67 -4.608 5.078 -9.038 1.00 1.05 O ATOM 937 CB ILE A 67 -7.166 3.740 -7.817 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.601 2.881 -9.006 1.00 0.93 C ATOM 939 CG2 ILE A 67 -8.218 3.722 -6.717 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.742 1.408 -8.682 1.00 1.00 C ATOM 0 H ILE A 67 -8.766 5.322 -9.181 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.531 5.728 -7.377 1.00 0.91 H new ATOM 0 HB ILE A 67 -6.247 3.313 -7.417 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.555 3.253 -9.381 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.875 2.998 -9.811 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.411 2.693 -6.415 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.857 4.290 -5.859 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -9.140 4.171 -7.088 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -8.053 0.867 -9.576 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.784 1.018 -8.337 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -8.490 1.277 -7.900 1.00 1.00 H new ATOM 952 N GLN A 68 -6.209 5.304 -10.605 1.00 0.99 N ATOM 953 CA GLN A 68 -5.247 5.374 -11.717 1.00 1.08 C ATOM 954 C GLN A 68 -4.498 6.715 -11.698 1.00 1.06 C ATOM 955 O GLN A 68 -3.273 6.750 -11.821 1.00 1.09 O ATOM 956 CB GLN A 68 -5.981 5.206 -13.041 1.00 1.16 C ATOM 957 CG GLN A 68 -4.994 5.081 -14.195 1.00 1.27 C ATOM 958 CD GLN A 68 -5.737 4.886 -15.508 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.603 5.646 -15.915 1.00 1.41 O ATOM 960 NE2 GLN A 68 -5.344 3.845 -16.205 1.00 1.52 N ATOM 0 H GLN A 68 -7.189 5.347 -10.886 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.519 4.571 -11.603 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.614 4.320 -13.001 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.637 6.060 -13.209 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -4.374 5.976 -14.250 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -4.324 4.239 -14.020 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -4.619 3.229 -15.837 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -5.764 3.652 -17.114 1.00 1.52 H new ATOM 969 N LYS A 69 -5.234 7.804 -11.480 1.00 1.05 N ATOM 970 CA LYS A 69 -4.658 9.154 -11.459 1.00 1.06 C ATOM 971 C LYS A 69 -3.585 9.342 -10.376 1.00 1.08 C ATOM 972 O LYS A 69 -2.648 10.116 -10.566 1.00 1.15 O ATOM 973 CB LYS A 69 -5.762 10.192 -11.257 1.00 1.03 C ATOM 974 CG LYS A 69 -6.792 10.224 -12.376 1.00 1.10 C ATOM 975 CD LYS A 69 -7.939 11.165 -12.040 1.00 1.19 C ATOM 976 CE LYS A 69 -8.998 11.175 -13.130 1.00 1.38 C ATOM 977 NZ LYS A 69 -10.126 12.089 -12.795 1.00 1.58 N ATOM 0 H LYS A 69 -6.240 7.780 -11.314 1.00 1.05 H new ATOM 0 HA LYS A 69 -4.170 9.293 -12.424 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -6.270 9.988 -10.315 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -5.307 11.179 -11.167 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -6.316 10.543 -13.303 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -7.180 9.220 -12.546 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -8.392 10.863 -11.096 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -7.552 12.174 -11.900 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -8.547 11.484 -14.073 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -9.380 10.164 -13.276 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -10.828 12.069 -13.562 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -10.572 11.779 -11.908 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -9.766 13.058 -12.681 1.00 1.58 H new ATOM 991 N ILE A 70 -3.717 8.644 -9.247 1.00 1.07 N ATOM 992 CA ILE A 70 -2.740 8.777 -8.159 1.00 1.12 C ATOM 993 C ILE A 70 -1.500 7.910 -8.384 1.00 1.25 C ATOM 994 O ILE A 70 -0.567 7.929 -7.580 1.00 1.37 O ATOM 995 CB ILE A 70 -3.351 8.437 -6.782 1.00 1.09 C ATOM 996 CG1 ILE A 70 -4.033 7.069 -6.813 1.00 1.09 C ATOM 997 CG2 ILE A 70 -4.335 9.515 -6.358 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.641 6.661 -5.488 1.00 1.19 C ATOM 0 H ILE A 70 -4.477 7.990 -9.061 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.441 9.825 -8.163 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.544 8.397 -6.050 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.814 7.080 -7.573 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -3.305 6.317 -7.115 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.757 9.261 -5.386 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.819 10.473 -6.290 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -5.136 9.586 -7.094 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -5.106 5.680 -5.588 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -3.861 6.617 -4.728 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.394 7.392 -5.193 1.00 1.19 H new ATOM 1122 N LEU B 8 8.435 20.547 16.287 1.00 0.80 N ATOM 1123 CA LEU B 8 8.882 21.112 14.995 1.00 0.77 C ATOM 1124 C LEU B 8 10.364 21.537 15.085 1.00 0.77 C ATOM 1125 O LEU B 8 10.713 22.660 15.447 1.00 0.79 O ATOM 1126 CB LEU B 8 7.960 22.283 14.606 1.00 0.78 C ATOM 1127 CG LEU B 8 8.190 22.880 13.203 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.910 23.574 12.745 1.00 0.77 C ATOM 1129 CD2 LEU B 8 9.293 23.943 13.165 1.00 0.77 C ATOM 0 HA LEU B 8 8.814 20.358 14.211 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.926 21.944 14.671 1.00 0.78 H new ATOM 0 HB3 LEU B 8 8.082 23.077 15.343 1.00 0.78 H new ATOM 0 HG LEU B 8 8.483 22.048 12.563 1.00 0.76 H new ATOM 0 HD11 LEU B 8 7.062 24.000 11.753 1.00 0.77 H new ATOM 0 HD12 LEU B 8 6.097 22.849 12.708 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.656 24.369 13.446 1.00 0.77 H new ATOM 0 HD21 LEU B 8 9.401 24.319 12.148 1.00 0.77 H new ATOM 0 HD22 LEU B 8 9.029 24.765 13.830 1.00 0.77 H new ATOM 0 HD23 LEU B 8 10.235 23.502 13.490 1.00 0.77 H new ATOM 1141 N ARG B 9 11.209 20.526 14.977 1.00 0.75 N ATOM 1142 CA ARG B 9 12.669 20.728 15.043 1.00 0.75 C ATOM 1143 C ARG B 9 13.383 20.010 13.898 1.00 0.72 C ATOM 1144 O ARG B 9 13.954 20.645 13.018 1.00 0.71 O ATOM 1145 CB ARG B 9 13.234 20.367 16.429 1.00 0.79 C ATOM 1146 CG ARG B 9 12.954 18.926 16.870 1.00 0.79 C ATOM 1147 CD ARG B 9 13.713 18.566 18.145 1.00 0.82 C ATOM 1148 NE ARG B 9 13.476 17.146 18.467 1.00 0.82 N ATOM 1149 CZ ARG B 9 12.370 16.617 18.992 1.00 0.83 C ATOM 1150 NH1 ARG B 9 11.307 17.362 19.283 1.00 0.85 N ATOM 1151 NH2 ARG B 9 12.328 15.323 19.276 1.00 0.84 N ATOM 0 H ARG B 9 10.923 19.556 14.843 1.00 0.75 H new ATOM 0 HA ARG B 9 12.866 21.792 14.908 1.00 0.75 H new ATOM 0 HB2 ARG B 9 14.312 20.529 16.422 1.00 0.79 H new ATOM 0 HB3 ARG B 9 12.814 21.049 17.168 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.884 18.798 17.035 1.00 0.79 H new ATOM 0 HG3 ARG B 9 13.238 18.240 16.072 1.00 0.79 H new ATOM 0 HD2 ARG B 9 14.779 18.748 18.011 1.00 0.82 H new ATOM 0 HD3 ARG B 9 13.383 19.198 18.969 1.00 0.82 H new ATOM 0 HE ARG B 9 14.239 16.500 18.267 1.00 0.82 H new ATOM 0 HH11 ARG B 9 11.324 18.366 19.105 1.00 0.85 H new ATOM 0 HH12 ARG B 9 10.475 16.929 19.684 1.00 0.85 H new ATOM 0 HH21 ARG B 9 13.140 14.734 19.093 1.00 0.84 H new ATOM 0 HH22 ARG B 9 11.483 14.916 19.678 1.00 0.84 H new ATOM 1165 N GLU B 10 13.296 18.677 13.910 1.00 0.71 N ATOM 1166 CA GLU B 10 14.018 17.800 12.980 1.00 0.68 C ATOM 1167 C GLU B 10 13.254 16.492 12.774 1.00 0.66 C ATOM 1168 O GLU B 10 12.965 15.767 13.728 1.00 0.68 O ATOM 1169 CB GLU B 10 15.406 17.468 13.542 1.00 0.70 C ATOM 1170 CG GLU B 10 16.313 18.699 13.644 1.00 0.72 C ATOM 1171 CD GLU B 10 17.723 18.380 14.143 1.00 0.75 C ATOM 1172 OE1 GLU B 10 18.175 17.237 13.915 1.00 0.74 O ATOM 1173 OE2 GLU B 10 18.327 19.303 14.730 1.00 0.77 O ATOM 0 H GLU B 10 12.714 18.168 14.575 1.00 0.71 H new ATOM 0 HA GLU B 10 14.113 18.322 12.028 1.00 0.68 H new ATOM 0 HB2 GLU B 10 15.296 17.020 14.530 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.882 16.723 12.905 1.00 0.70 H new ATOM 0 HG2 GLU B 10 16.382 19.172 12.664 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.854 19.424 14.316 1.00 0.72 H new ATOM 1180 N LEU B 11 12.813 16.322 11.540 1.00 0.63 N ATOM 1181 CA LEU B 11 12.071 15.120 11.120 1.00 0.61 C ATOM 1182 C LEU B 11 12.740 14.487 9.900 1.00 0.58 C ATOM 1183 O LEU B 11 13.192 15.182 8.987 1.00 0.57 O ATOM 1184 CB LEU B 11 10.628 15.504 10.789 1.00 0.60 C ATOM 1185 CG LEU B 11 9.895 16.030 12.022 1.00 0.64 C ATOM 1186 CD1 LEU B 11 9.307 17.411 11.729 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.809 15.046 12.455 1.00 0.64 C ATOM 0 H LEU B 11 12.952 17.004 10.794 1.00 0.63 H new ATOM 0 HA LEU B 11 12.074 14.393 11.932 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.622 16.265 10.008 1.00 0.60 H new ATOM 0 HB3 LEU B 11 10.101 14.636 10.393 1.00 0.60 H new ATOM 0 HG LEU B 11 10.603 16.128 12.845 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.786 17.780 12.613 1.00 0.65 H new ATOM 0 HD12 LEU B 11 10.110 18.100 11.467 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.605 17.339 10.898 1.00 0.65 H new ATOM 0 HD21 LEU B 11 8.296 15.435 13.335 1.00 0.64 H new ATOM 0 HD22 LEU B 11 8.092 14.916 11.644 1.00 0.64 H new ATOM 0 HD23 LEU B 11 9.264 14.085 12.695 1.00 0.64 H new ATOM 1199 N ARG B 12 12.767 13.167 9.927 1.00 0.57 N ATOM 1200 CA ARG B 12 13.441 12.366 8.889 1.00 0.55 C ATOM 1201 C ARG B 12 12.374 11.723 8.007 1.00 0.52 C ATOM 1202 O ARG B 12 11.296 11.367 8.487 1.00 0.52 O ATOM 1203 CB ARG B 12 14.281 11.258 9.553 1.00 0.57 C ATOM 1204 CG ARG B 12 15.118 11.713 10.758 1.00 0.60 C ATOM 1205 CD ARG B 12 15.950 12.951 10.420 1.00 0.61 C ATOM 1206 NE ARG B 12 16.853 13.308 11.515 1.00 0.65 N ATOM 1207 CZ ARG B 12 18.159 13.120 11.415 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.688 11.928 11.646 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.947 14.154 11.174 1.00 0.68 N ATOM 0 H ARG B 12 12.328 12.610 10.660 1.00 0.57 H new ATOM 0 HA ARG B 12 14.094 13.004 8.294 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.613 10.459 9.875 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.950 10.832 8.805 1.00 0.57 H new ATOM 0 HG2 ARG B 12 14.460 11.933 11.599 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.777 10.904 11.072 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.529 12.765 9.516 1.00 0.61 H new ATOM 0 HD3 ARG B 12 15.286 13.789 10.207 1.00 0.61 H new ATOM 0 HE ARG B 12 16.469 13.709 12.371 1.00 0.65 H new ATOM 0 HH11 ARG B 12 18.087 11.145 11.904 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.696 11.793 11.566 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.547 15.086 11.067 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.955 14.020 11.095 1.00 0.68 H new ATOM 1223 N CYS B 13 12.690 11.575 6.723 1.00 0.50 N ATOM 1224 CA CYS B 13 11.819 10.836 5.792 1.00 0.48 C ATOM 1225 C CYS B 13 11.545 9.426 6.339 1.00 0.48 C ATOM 1226 O CYS B 13 12.363 8.863 7.065 1.00 0.49 O ATOM 1227 CB CYS B 13 12.505 10.734 4.430 1.00 0.47 C ATOM 1228 SG CYS B 13 12.470 12.278 3.446 1.00 0.48 S ATOM 0 H CYS B 13 13.537 11.952 6.298 1.00 0.50 H new ATOM 0 HA CYS B 13 10.873 11.366 5.686 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.543 10.438 4.581 1.00 0.47 H new ATOM 0 HB3 CYS B 13 12.028 9.941 3.855 1.00 0.47 H new ATOM 1233 N VAL B 14 10.383 8.882 5.986 1.00 0.46 N ATOM 1234 CA VAL B 14 10.010 7.505 6.402 1.00 0.46 C ATOM 1235 C VAL B 14 11.021 6.460 5.876 1.00 0.46 C ATOM 1236 O VAL B 14 11.257 5.424 6.490 1.00 0.47 O ATOM 1237 CB VAL B 14 8.541 7.181 6.039 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.233 7.128 4.541 1.00 0.43 C ATOM 1239 CG2 VAL B 14 8.072 5.874 6.681 1.00 0.46 C ATOM 0 H VAL B 14 9.680 9.356 5.419 1.00 0.46 H new ATOM 0 HA VAL B 14 10.067 7.452 7.489 1.00 0.46 H new ATOM 0 HB VAL B 14 7.990 8.030 6.444 1.00 0.45 H new ATOM 0 HG11 VAL B 14 7.179 6.894 4.394 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.457 8.094 4.089 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.844 6.358 4.071 1.00 0.43 H new ATOM 0 HG21 VAL B 14 7.036 5.683 6.402 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.699 5.053 6.334 1.00 0.46 H new ATOM 0 HG23 VAL B 14 8.146 5.954 7.766 1.00 0.46 H new ATOM 1249 N CYS B 15 11.589 6.777 4.715 1.00 0.45 N ATOM 1250 CA CYS B 15 12.594 5.959 4.024 1.00 0.45 C ATOM 1251 C CYS B 15 13.910 6.715 3.862 1.00 0.47 C ATOM 1252 O CYS B 15 14.002 7.662 3.080 1.00 0.47 O ATOM 1253 CB CYS B 15 12.095 5.591 2.630 1.00 0.43 C ATOM 1254 SG CYS B 15 10.789 4.331 2.662 1.00 0.42 S ATOM 0 H CYS B 15 11.359 7.634 4.211 1.00 0.45 H new ATOM 0 HA CYS B 15 12.758 5.067 4.628 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.718 6.486 2.136 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.931 5.226 2.034 1.00 0.43 H new ATOM 1259 N LEU B 16 14.871 6.336 4.694 1.00 0.49 N ATOM 1260 CA LEU B 16 16.236 6.889 4.598 1.00 0.52 C ATOM 1261 C LEU B 16 17.109 6.205 3.536 1.00 0.54 C ATOM 1262 O LEU B 16 17.938 6.847 2.883 1.00 0.55 O ATOM 1263 CB LEU B 16 16.921 6.865 5.970 1.00 0.55 C ATOM 1264 CG LEU B 16 16.244 7.793 6.988 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.937 7.658 8.344 1.00 0.58 C ATOM 1266 CD2 LEU B 16 16.268 9.261 6.536 1.00 0.54 C ATOM 0 H LEU B 16 14.743 5.654 5.441 1.00 0.49 H new ATOM 0 HA LEU B 16 16.124 7.921 4.267 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.917 5.845 6.355 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.965 7.158 5.855 1.00 0.55 H new ATOM 0 HG LEU B 16 15.200 7.492 7.069 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.455 8.317 9.066 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.863 6.627 8.689 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.987 7.933 8.245 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.778 9.881 7.287 1.00 0.54 H new ATOM 0 HD22 LEU B 16 17.301 9.587 6.414 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.742 9.358 5.586 1.00 0.54 H new ATOM 1278 N GLN B 17 16.887 4.920 3.357 1.00 0.53 N ATOM 1279 CA GLN B 17 17.616 4.067 2.412 1.00 0.55 C ATOM 1280 C GLN B 17 16.686 3.631 1.267 1.00 0.53 C ATOM 1281 O GLN B 17 15.502 3.962 1.231 1.00 0.50 O ATOM 1282 CB GLN B 17 18.225 2.854 3.144 1.00 0.58 C ATOM 1283 CG GLN B 17 17.224 1.804 3.655 1.00 0.56 C ATOM 1284 CD GLN B 17 16.352 2.250 4.839 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.474 3.293 5.457 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.423 1.406 5.209 1.00 0.54 N ATOM 0 H GLN B 17 16.172 4.413 3.878 1.00 0.53 H new ATOM 0 HA GLN B 17 18.438 4.635 1.976 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.925 2.362 2.469 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.803 3.219 3.993 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.570 1.518 2.831 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.777 0.911 3.948 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.303 0.527 4.706 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.819 1.627 6.000 1.00 0.54 H new ATOM 1295 N THR B 18 17.263 2.834 0.385 1.00 0.55 N ATOM 1296 CA THR B 18 16.557 2.271 -0.777 1.00 0.54 C ATOM 1297 C THR B 18 16.745 0.746 -0.861 1.00 0.55 C ATOM 1298 O THR B 18 17.362 0.122 0.007 1.00 0.57 O ATOM 1299 CB THR B 18 17.043 3.016 -2.033 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.260 2.588 -3.143 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.536 2.827 -2.330 1.00 0.60 C ATOM 0 H THR B 18 18.241 2.551 0.446 1.00 0.55 H new ATOM 0 HA THR B 18 15.481 2.417 -0.682 1.00 0.54 H new ATOM 0 HB THR B 18 16.916 4.083 -1.849 1.00 0.56 H new ATOM 0 HG1 THR B 18 16.851 2.336 -3.883 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.801 3.382 -3.230 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.124 3.196 -1.489 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.745 1.768 -2.482 1.00 0.60 H new ATOM 1309 N THR B 19 16.293 0.168 -1.969 1.00 0.55 N ATOM 1310 CA THR B 19 16.357 -1.268 -2.279 1.00 0.57 C ATOM 1311 C THR B 19 16.262 -1.488 -3.800 1.00 0.58 C ATOM 1312 O THR B 19 15.671 -0.692 -4.539 1.00 0.57 O ATOM 1313 CB THR B 19 15.226 -2.017 -1.541 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.346 -1.801 -0.131 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.225 -3.528 -1.778 1.00 0.56 C ATOM 0 H THR B 19 15.851 0.707 -2.714 1.00 0.55 H new ATOM 0 HA THR B 19 17.313 -1.666 -1.938 1.00 0.57 H new ATOM 0 HB THR B 19 14.296 -1.615 -1.943 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.815 -1.019 0.126 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.402 -3.982 -1.227 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.104 -3.729 -2.842 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.169 -3.951 -1.434 1.00 0.56 H new ATOM 1323 N GLN B 20 16.865 -2.591 -4.218 1.00 0.61 N ATOM 1324 CA GLN B 20 16.883 -3.079 -5.600 1.00 0.64 C ATOM 1325 C GLN B 20 16.443 -4.542 -5.698 1.00 0.64 C ATOM 1326 O GLN B 20 17.220 -5.476 -5.895 1.00 0.68 O ATOM 1327 CB GLN B 20 18.252 -2.829 -6.263 1.00 0.68 C ATOM 1328 CG GLN B 20 19.464 -3.572 -5.691 1.00 0.72 C ATOM 1329 CD GLN B 20 19.849 -3.201 -4.256 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.463 -2.214 -3.647 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.709 -4.004 -3.684 1.00 0.73 N ATOM 0 H GLN B 20 17.378 -3.200 -3.581 1.00 0.61 H new ATOM 0 HA GLN B 20 16.147 -2.503 -6.161 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.166 -3.088 -7.318 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.459 -1.760 -6.213 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.263 -4.643 -5.729 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.321 -3.385 -6.338 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.041 -4.832 -4.179 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.048 -3.802 -2.743 1.00 0.73 H new ATOM 1340 N GLY B 21 15.135 -4.713 -5.498 1.00 0.61 N ATOM 1341 CA GLY B 21 14.541 -6.035 -5.679 1.00 0.61 C ATOM 1342 C GLY B 21 14.199 -6.286 -7.163 1.00 0.63 C ATOM 1343 O GLY B 21 14.330 -5.368 -7.965 1.00 0.64 O ATOM 0 H GLY B 21 14.486 -3.977 -5.219 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.232 -6.800 -5.326 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.638 -6.118 -5.074 1.00 0.61 H new ATOM 1347 N VAL B 22 13.599 -7.398 -7.573 1.00 0.64 N ATOM 1348 CA VAL B 22 12.959 -8.579 -6.921 1.00 0.63 C ATOM 1349 C VAL B 22 11.673 -8.876 -7.723 1.00 0.62 C ATOM 1350 O VAL B 22 11.405 -8.230 -8.732 1.00 0.63 O ATOM 1351 CB VAL B 22 12.660 -8.453 -5.398 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.519 -7.485 -5.037 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.532 -9.809 -4.692 1.00 0.61 C ATOM 0 H VAL B 22 13.530 -7.531 -8.582 1.00 0.64 H new ATOM 0 HA VAL B 22 13.678 -9.398 -6.948 1.00 0.63 H new ATOM 0 HB VAL B 22 13.555 -7.978 -4.997 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.387 -7.466 -3.955 1.00 0.56 H new ATOM 0 HG12 VAL B 22 11.766 -6.484 -5.390 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.595 -7.819 -5.510 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.324 -9.650 -3.634 1.00 0.61 H new ATOM 0 HG22 VAL B 22 11.717 -10.377 -5.141 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.464 -10.364 -4.799 1.00 0.61 H new ATOM 1363 N HIS B 23 10.849 -9.796 -7.238 1.00 0.61 N ATOM 1364 CA HIS B 23 9.551 -10.086 -7.851 1.00 0.61 C ATOM 1365 C HIS B 23 8.414 -9.768 -6.858 1.00 0.57 C ATOM 1366 O HIS B 23 8.551 -10.059 -5.662 1.00 0.56 O ATOM 1367 CB HIS B 23 9.530 -11.551 -8.303 1.00 0.64 C ATOM 1368 CG HIS B 23 8.330 -11.851 -9.205 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.087 -12.047 -8.777 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.332 -11.996 -10.526 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.318 -12.331 -9.828 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.093 -12.299 -10.909 1.00 0.68 N ATOM 0 H HIS B 23 11.056 -10.361 -6.414 1.00 0.61 H new ATOM 0 HA HIS B 23 9.396 -9.457 -8.727 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.452 -11.780 -8.837 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.499 -12.201 -7.428 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.188 -11.887 -11.175 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.260 -12.547 -9.806 1.00 0.65 H new ATOM 0 HE2 HIS B 23 6.790 -12.476 -11.867 1.00 0.68 H new ATOM 1380 N PRO B 24 7.288 -9.249 -7.377 1.00 0.57 N ATOM 1381 CA PRO B 24 6.048 -8.992 -6.614 1.00 0.55 C ATOM 1382 C PRO B 24 5.580 -10.211 -5.819 1.00 0.55 C ATOM 1383 O PRO B 24 4.841 -10.048 -4.858 1.00 0.53 O ATOM 1384 CB PRO B 24 4.975 -8.745 -7.666 1.00 0.56 C ATOM 1385 CG PRO B 24 5.745 -8.141 -8.826 1.00 0.58 C ATOM 1386 CD PRO B 24 7.097 -8.838 -8.784 1.00 0.59 C ATOM 0 HA PRO B 24 6.222 -8.172 -5.918 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.476 -9.670 -7.954 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.204 -8.067 -7.300 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.237 -8.315 -9.774 1.00 0.58 H new ATOM 0 HG3 PRO B 24 5.850 -7.062 -8.715 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.114 -9.701 -9.450 1.00 0.59 H new ATOM 0 HD3 PRO B 24 7.894 -8.168 -9.109 1.00 0.59 H new ATOM 1394 N LYS B 25 6.014 -11.401 -6.225 1.00 0.57 N ATOM 1395 CA LYS B 25 5.673 -12.679 -5.580 1.00 0.58 C ATOM 1396 C LYS B 25 5.940 -12.664 -4.065 1.00 0.56 C ATOM 1397 O LYS B 25 5.233 -13.310 -3.301 1.00 0.57 O ATOM 1398 CB LYS B 25 6.494 -13.787 -6.234 1.00 0.61 C ATOM 1399 CG LYS B 25 5.654 -15.057 -6.360 1.00 0.62 C ATOM 1400 CD LYS B 25 6.410 -16.205 -7.031 1.00 0.66 C ATOM 1401 CE LYS B 25 7.514 -16.766 -6.136 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.404 -18.228 -6.065 1.00 0.69 N ATOM 0 H LYS B 25 6.628 -11.513 -7.031 1.00 0.57 H new ATOM 0 HA LYS B 25 4.605 -12.851 -5.714 1.00 0.58 H new ATOM 0 HB2 LYS B 25 6.833 -13.466 -7.219 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.386 -13.989 -5.640 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.330 -15.372 -5.368 1.00 0.62 H new ATOM 0 HG3 LYS B 25 4.754 -14.836 -6.934 1.00 0.62 H new ATOM 0 HD2 LYS B 25 5.710 -17.001 -7.284 1.00 0.66 H new ATOM 0 HD3 LYS B 25 6.845 -15.854 -7.967 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.491 -16.485 -6.529 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.437 -16.338 -5.137 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.158 -18.604 -5.455 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.477 -18.488 -5.670 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 7.499 -18.630 -7.019 1.00 0.69 H new ATOM 1416 N MET B 26 6.918 -11.855 -3.660 1.00 0.55 N ATOM 1417 CA MET B 26 7.258 -11.639 -2.240 1.00 0.55 C ATOM 1418 C MET B 26 6.453 -10.507 -1.580 1.00 0.52 C ATOM 1419 O MET B 26 6.369 -10.414 -0.352 1.00 0.52 O ATOM 1420 CB MET B 26 8.763 -11.393 -2.098 1.00 0.57 C ATOM 1421 CG MET B 26 9.593 -12.643 -2.426 1.00 0.64 C ATOM 1422 SD MET B 26 9.545 -13.945 -1.136 1.00 0.75 S ATOM 1423 CE MET B 26 8.336 -15.072 -1.798 1.00 0.95 C ATOM 0 H MET B 26 7.504 -11.325 -4.305 1.00 0.55 H new ATOM 0 HA MET B 26 6.981 -12.548 -1.707 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.060 -10.579 -2.760 1.00 0.57 H new ATOM 0 HB3 MET B 26 8.982 -11.072 -1.080 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.235 -13.066 -3.365 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.629 -12.345 -2.585 1.00 0.64 H new ATOM 0 HE1 MET B 26 8.585 -16.090 -1.498 1.00 0.95 H new ATOM 0 HE2 MET B 26 7.349 -14.812 -1.416 1.00 0.95 H new ATOM 0 HE3 MET B 26 8.333 -15.005 -2.886 1.00 0.95 H new ATOM 1433 N ILE B 27 5.890 -9.627 -2.400 1.00 0.50 N ATOM 1434 CA ILE B 27 5.116 -8.486 -1.906 1.00 0.48 C ATOM 1435 C ILE B 27 3.639 -8.848 -1.745 1.00 0.49 C ATOM 1436 O ILE B 27 3.091 -9.617 -2.535 1.00 0.56 O ATOM 1437 CB ILE B 27 5.247 -7.274 -2.859 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.714 -7.058 -3.262 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.677 -6.014 -2.218 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.638 -6.759 -2.099 1.00 0.58 C ATOM 0 H ILE B 27 5.954 -9.680 -3.417 1.00 0.50 H new ATOM 0 HA ILE B 27 5.522 -8.218 -0.930 1.00 0.48 H new ATOM 0 HB ILE B 27 4.670 -7.488 -3.759 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.073 -7.949 -3.777 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.766 -6.235 -3.975 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.781 -5.176 -2.907 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.622 -6.167 -1.989 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.220 -5.796 -1.298 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.654 -6.620 -2.468 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.307 -5.851 -1.596 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.618 -7.591 -1.395 1.00 0.58 H new ATOM 1452 N SER B 28 2.998 -8.290 -0.714 1.00 0.47 N ATOM 1453 CA SER B 28 1.588 -8.557 -0.453 1.00 0.54 C ATOM 1454 C SER B 28 0.847 -7.292 -0.013 1.00 0.55 C ATOM 1455 O SER B 28 -0.382 -7.278 0.053 1.00 0.70 O ATOM 1456 CB SER B 28 1.448 -9.644 0.615 1.00 0.61 C ATOM 1457 OG SER B 28 1.956 -10.884 0.153 1.00 0.68 O ATOM 0 H SER B 28 3.436 -7.652 -0.049 1.00 0.47 H new ATOM 0 HA SER B 28 1.137 -8.902 -1.383 1.00 0.54 H new ATOM 0 HB2 SER B 28 1.981 -9.343 1.517 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.399 -9.757 0.888 1.00 0.61 H new ATOM 0 HG SER B 28 1.416 -11.615 0.519 1.00 0.68 H new ATOM 1463 N ASN B 29 1.596 -6.234 0.292 1.00 0.49 N ATOM 1464 CA ASN B 29 1.001 -4.968 0.721 1.00 0.50 C ATOM 1465 C ASN B 29 1.797 -3.782 0.179 1.00 0.49 C ATOM 1466 O ASN B 29 3.028 -3.813 0.151 1.00 0.49 O ATOM 1467 CB ASN B 29 0.941 -4.897 2.251 1.00 0.54 C ATOM 1468 CG ASN B 29 0.189 -3.674 2.749 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.753 -3.204 2.111 1.00 0.67 O ATOM 1470 ND2 ASN B 29 0.603 -3.151 3.898 1.00 0.83 N ATOM 0 H ASN B 29 2.615 -6.227 0.250 1.00 0.49 H new ATOM 0 HA ASN B 29 -0.012 -4.919 0.322 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.459 -5.796 2.634 1.00 0.54 H new ATOM 0 HB3 ASN B 29 1.955 -4.883 2.651 1.00 0.54 H new ATOM 0 HD21 ASN B 29 0.136 -2.330 4.282 1.00 0.83 H new ATOM 0 HD22 ASN B 29 1.388 -3.571 4.396 1.00 0.83 H new ATOM 1477 N LEU B 30 1.086 -2.739 -0.248 1.00 0.53 N ATOM 1478 CA LEU B 30 1.724 -1.542 -0.786 1.00 0.55 C ATOM 1479 C LEU B 30 1.297 -0.297 -0.009 1.00 0.56 C ATOM 1480 O LEU B 30 0.188 -0.231 0.512 1.00 0.75 O ATOM 1481 CB LEU B 30 1.388 -1.379 -2.271 1.00 0.60 C ATOM 1482 CG LEU B 30 2.121 -0.235 -2.980 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.618 -0.499 -3.021 1.00 0.74 C ATOM 1484 CD2 LEU B 30 1.577 -0.038 -4.387 1.00 0.75 C ATOM 0 H LEU B 30 0.067 -2.701 -0.231 1.00 0.53 H new ATOM 0 HA LEU B 30 2.803 -1.658 -0.679 1.00 0.55 H new ATOM 0 HB2 LEU B 30 1.619 -2.312 -2.785 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.314 -1.219 -2.370 1.00 0.60 H new ATOM 0 HG LEU B 30 1.949 0.680 -2.414 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.119 0.325 -3.529 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.000 -0.585 -2.004 1.00 0.74 H new ATOM 0 HD13 LEU B 30 3.809 -1.427 -3.560 1.00 0.74 H new ATOM 0 HD21 LEU B 30 2.111 0.779 -4.873 1.00 0.75 H new ATOM 0 HD22 LEU B 30 1.714 -0.954 -4.962 1.00 0.75 H new ATOM 0 HD23 LEU B 30 0.515 0.202 -4.336 1.00 0.75 H new ATOM 1496 N GLN B 31 2.194 0.685 0.060 1.00 0.50 N ATOM 1497 CA GLN B 31 1.928 1.937 0.762 1.00 0.50 C ATOM 1498 C GLN B 31 2.536 3.118 0.005 1.00 0.51 C ATOM 1499 O GLN B 31 3.756 3.270 -0.049 1.00 0.60 O ATOM 1500 CB GLN B 31 2.500 1.884 2.182 1.00 0.53 C ATOM 1501 CG GLN B 31 1.590 1.208 3.193 1.00 0.57 C ATOM 1502 CD GLN B 31 2.290 0.909 4.503 1.00 0.75 C ATOM 1503 OE1 GLN B 31 2.872 -0.160 4.680 1.00 1.08 O ATOM 1504 NE2 GLN B 31 2.231 1.855 5.435 1.00 1.01 N ATOM 0 H GLN B 31 3.119 0.635 -0.366 1.00 0.50 H new ATOM 0 HA GLN B 31 0.848 2.073 0.818 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.454 1.357 2.158 1.00 0.53 H new ATOM 0 HB3 GLN B 31 2.706 2.901 2.517 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.728 1.847 3.384 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.210 0.279 2.769 1.00 0.57 H new ATOM 0 HE21 GLN B 31 1.737 2.727 5.246 1.00 1.01 H new ATOM 0 HE22 GLN B 31 2.679 1.709 6.339 1.00 1.01 H new ATOM 1513 N VAL B 32 1.676 3.947 -0.582 1.00 0.49 N ATOM 1514 CA VAL B 32 2.119 5.115 -1.339 1.00 0.51 C ATOM 1515 C VAL B 32 1.941 6.391 -0.520 1.00 0.49 C ATOM 1516 O VAL B 32 0.823 6.867 -0.333 1.00 0.61 O ATOM 1517 CB VAL B 32 1.350 5.251 -2.671 1.00 0.56 C ATOM 1518 CG1 VAL B 32 2.003 6.295 -3.563 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.266 3.910 -3.388 1.00 0.59 C ATOM 0 H VAL B 32 0.663 3.830 -0.547 1.00 0.49 H new ATOM 0 HA VAL B 32 3.177 4.972 -1.560 1.00 0.51 H new ATOM 0 HB VAL B 32 0.335 5.579 -2.444 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.446 6.376 -4.497 1.00 0.61 H new ATOM 0 HG12 VAL B 32 2.002 7.260 -3.055 1.00 0.61 H new ATOM 0 HG13 VAL B 32 3.030 5.999 -3.778 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.720 4.031 -4.324 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.272 3.547 -3.599 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.746 3.191 -2.755 1.00 0.59 H new ATOM 1529 N PHE B 33 3.052 6.938 -0.041 1.00 0.48 N ATOM 1530 CA PHE B 33 3.028 8.153 0.770 1.00 0.48 C ATOM 1531 C PHE B 33 3.460 9.376 -0.034 1.00 0.50 C ATOM 1532 O PHE B 33 4.474 9.343 -0.737 1.00 0.56 O ATOM 1533 CB PHE B 33 3.941 7.988 1.988 1.00 0.53 C ATOM 1534 CG PHE B 33 3.242 7.435 3.196 1.00 0.57 C ATOM 1535 CD1 PHE B 33 2.617 8.286 4.091 1.00 0.70 C ATOM 1536 CD2 PHE B 33 3.214 6.070 3.440 1.00 0.65 C ATOM 1537 CE1 PHE B 33 1.972 7.787 5.206 1.00 0.85 C ATOM 1538 CE2 PHE B 33 2.570 5.565 4.555 1.00 0.78 C ATOM 1539 CZ PHE B 33 1.951 6.426 5.440 1.00 0.86 C ATOM 0 H PHE B 33 3.985 6.559 -0.200 1.00 0.48 H new ATOM 0 HA PHE B 33 2.001 8.311 1.098 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.768 7.329 1.724 1.00 0.53 H new ATOM 0 HB3 PHE B 33 4.373 8.956 2.241 1.00 0.53 H new ATOM 0 HD1 PHE B 33 2.634 9.352 3.916 1.00 0.70 H new ATOM 0 HD2 PHE B 33 3.700 5.394 2.752 1.00 0.65 H new ATOM 0 HE1 PHE B 33 1.484 8.461 5.895 1.00 0.85 H new ATOM 0 HE2 PHE B 33 2.551 4.500 4.733 1.00 0.78 H new ATOM 0 HZ PHE B 33 1.451 6.035 6.314 1.00 0.86 H new ATOM 1549 N ALA B 34 2.688 10.458 0.079 1.00 0.50 N ATOM 1550 CA ALA B 34 2.994 11.695 -0.634 1.00 0.55 C ATOM 1551 C ALA B 34 3.858 12.641 0.210 1.00 0.54 C ATOM 1552 O ALA B 34 4.732 12.202 0.959 1.00 0.58 O ATOM 1553 CB ALA B 34 1.706 12.386 -1.060 1.00 0.61 C ATOM 0 H ALA B 34 1.848 10.501 0.657 1.00 0.50 H new ATOM 0 HA ALA B 34 3.570 11.434 -1.522 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.946 13.307 -1.591 1.00 0.61 H new ATOM 0 HB2 ALA B 34 1.139 11.726 -1.717 1.00 0.61 H new ATOM 0 HB3 ALA B 34 1.110 12.620 -0.178 1.00 0.61 H new ATOM 1559 N ILE B 35 3.602 13.944 0.074 1.00 0.60 N ATOM 1560 CA ILE B 35 4.347 14.975 0.798 1.00 0.63 C ATOM 1561 C ILE B 35 3.883 15.089 2.254 1.00 0.59 C ATOM 1562 O ILE B 35 2.690 14.992 2.545 1.00 0.63 O ATOM 1563 CB ILE B 35 4.181 16.345 0.101 1.00 0.75 C ATOM 1564 CG1 ILE B 35 4.330 16.187 -1.416 1.00 0.90 C ATOM 1565 CG2 ILE B 35 5.193 17.351 0.636 1.00 0.77 C ATOM 1566 CD1 ILE B 35 3.953 17.427 -2.199 1.00 1.10 C ATOM 0 H ILE B 35 2.875 14.313 -0.539 1.00 0.60 H new ATOM 0 HA ILE B 35 5.397 14.682 0.793 1.00 0.63 H new ATOM 0 HB ILE B 35 3.182 16.723 0.317 1.00 0.75 H new ATOM 0 HG12 ILE B 35 5.363 15.924 -1.645 1.00 0.90 H new ATOM 0 HG13 ILE B 35 3.708 15.356 -1.748 1.00 0.90 H new ATOM 0 HG21 ILE B 35 5.057 18.307 0.131 1.00 0.77 H new ATOM 0 HG22 ILE B 35 5.044 17.482 1.708 1.00 0.77 H new ATOM 0 HG23 ILE B 35 6.203 16.984 0.452 1.00 0.77 H new ATOM 0 HD11 ILE B 35 4.084 17.238 -3.264 1.00 1.10 H new ATOM 0 HD12 ILE B 35 2.911 17.680 -2.001 1.00 1.10 H new ATOM 0 HD13 ILE B 35 4.592 18.257 -1.896 1.00 1.10 H new ATOM 1578 N GLY B 36 4.837 15.300 3.162 1.00 0.58 N ATOM 1579 CA GLY B 36 4.512 15.426 4.574 1.00 0.59 C ATOM 1580 C GLY B 36 5.437 16.389 5.302 1.00 0.63 C ATOM 1581 O GLY B 36 6.237 17.080 4.669 1.00 0.63 O ATOM 0 H GLY B 36 5.830 15.386 2.943 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.482 15.769 4.677 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.570 14.445 5.046 1.00 0.59 H new ATOM 1585 N PRO B 37 5.343 16.464 6.644 1.00 0.67 N ATOM 1586 CA PRO B 37 6.184 17.348 7.464 1.00 0.73 C ATOM 1587 C PRO B 37 7.580 16.773 7.703 1.00 0.71 C ATOM 1588 O PRO B 37 8.463 17.453 8.227 1.00 0.77 O ATOM 1589 CB PRO B 37 5.418 17.443 8.797 1.00 0.79 C ATOM 1590 CG PRO B 37 4.146 16.677 8.607 1.00 0.77 C ATOM 1591 CD PRO B 37 4.397 15.718 7.479 1.00 0.69 C ATOM 0 HA PRO B 37 6.348 18.309 6.977 1.00 0.73 H new ATOM 0 HB2 PRO B 37 6.006 17.024 9.614 1.00 0.79 H new ATOM 0 HB3 PRO B 37 5.211 18.482 9.053 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.873 16.144 9.518 1.00 0.77 H new ATOM 0 HG3 PRO B 37 3.320 17.348 8.371 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.819 14.777 7.831 1.00 0.69 H new ATOM 0 HD3 PRO B 37 3.481 15.475 6.940 1.00 0.69 H new ATOM 1599 N GLN B 38 7.766 15.518 7.315 1.00 0.65 N ATOM 1600 CA GLN B 38 9.053 14.827 7.492 1.00 0.65 C ATOM 1601 C GLN B 38 9.789 14.578 6.164 1.00 0.61 C ATOM 1602 O GLN B 38 10.990 14.315 6.150 1.00 0.63 O ATOM 1603 CB GLN B 38 8.815 13.509 8.238 1.00 0.65 C ATOM 1604 CG GLN B 38 7.930 12.512 7.481 1.00 0.59 C ATOM 1605 CD GLN B 38 7.746 11.237 8.297 1.00 0.63 C ATOM 1606 OE1 GLN B 38 7.200 11.224 9.386 1.00 0.71 O ATOM 1607 NE2 GLN B 38 8.157 10.131 7.727 1.00 0.61 N ATOM 0 H GLN B 38 7.044 14.949 6.873 1.00 0.65 H new ATOM 0 HA GLN B 38 9.703 15.477 8.077 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.778 13.041 8.443 1.00 0.65 H new ATOM 0 HB3 GLN B 38 8.355 13.727 9.202 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.959 12.962 7.274 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.382 12.273 6.518 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.612 10.166 6.815 1.00 0.61 H new ATOM 0 HE22 GLN B 38 8.022 9.235 8.196 1.00 0.61 H new ATOM 1616 N CYS B 39 9.049 14.590 5.061 1.00 0.56 N ATOM 1617 CA CYS B 39 9.636 14.322 3.751 1.00 0.54 C ATOM 1618 C CYS B 39 8.986 15.182 2.670 1.00 0.59 C ATOM 1619 O CYS B 39 7.883 15.693 2.850 1.00 0.67 O ATOM 1620 CB CYS B 39 9.469 12.835 3.411 1.00 0.48 C ATOM 1621 SG CYS B 39 10.773 12.145 2.336 1.00 0.47 S ATOM 0 H CYS B 39 8.047 14.781 5.046 1.00 0.56 H new ATOM 0 HA CYS B 39 10.696 14.573 3.788 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.444 12.265 4.340 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.504 12.694 2.924 1.00 0.48 H new ATOM 1626 N SER B 40 9.678 15.334 1.547 1.00 0.64 N ATOM 1627 CA SER B 40 9.167 16.135 0.440 1.00 0.73 C ATOM 1628 C SER B 40 8.902 15.269 -0.786 1.00 0.72 C ATOM 1629 O SER B 40 7.868 15.411 -1.441 1.00 1.00 O ATOM 1630 CB SER B 40 10.158 17.249 0.098 1.00 0.87 C ATOM 1631 OG SER B 40 9.646 18.098 -0.916 1.00 1.01 O ATOM 0 H SER B 40 10.592 14.914 1.379 1.00 0.64 H new ATOM 0 HA SER B 40 8.222 16.581 0.749 1.00 0.73 H new ATOM 0 HB2 SER B 40 10.373 17.835 0.992 1.00 0.87 H new ATOM 0 HB3 SER B 40 11.101 16.812 -0.232 1.00 0.87 H new ATOM 0 HG SER B 40 10.299 18.802 -1.114 1.00 1.01 H new ATOM 1637 N LYS B 41 9.836 14.373 -1.094 1.00 0.66 N ATOM 1638 CA LYS B 41 9.692 13.487 -2.244 1.00 0.64 C ATOM 1639 C LYS B 41 8.853 12.264 -1.876 1.00 0.61 C ATOM 1640 O LYS B 41 8.831 11.840 -0.720 1.00 0.61 O ATOM 1641 CB LYS B 41 11.069 13.048 -2.752 1.00 0.64 C ATOM 1642 CG LYS B 41 11.040 12.441 -4.147 1.00 0.71 C ATOM 1643 CD LYS B 41 12.434 12.063 -4.620 1.00 0.81 C ATOM 1644 CE LYS B 41 12.395 11.418 -5.995 1.00 0.97 C ATOM 1645 NZ LYS B 41 13.752 11.034 -6.471 1.00 1.16 N ATOM 0 H LYS B 41 10.698 14.242 -0.565 1.00 0.66 H new ATOM 0 HA LYS B 41 9.182 14.033 -3.038 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.738 13.909 -2.754 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.488 12.320 -2.057 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.403 11.557 -4.147 1.00 0.71 H new ATOM 0 HG3 LYS B 41 10.598 13.152 -4.845 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.063 12.952 -4.651 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.888 11.376 -3.906 1.00 0.81 H new ATOM 0 HE2 LYS B 41 11.759 10.534 -5.962 1.00 0.97 H new ATOM 0 HE3 LYS B 41 11.944 12.109 -6.707 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 13.679 10.598 -7.412 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 14.353 11.881 -6.527 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.174 10.354 -5.806 1.00 1.16 H new ATOM 1659 N VAL B 42 8.156 11.708 -2.863 1.00 0.61 N ATOM 1660 CA VAL B 42 7.322 10.534 -2.640 1.00 0.62 C ATOM 1661 C VAL B 42 8.161 9.265 -2.537 1.00 0.60 C ATOM 1662 O VAL B 42 9.117 9.065 -3.290 1.00 0.68 O ATOM 1663 CB VAL B 42 6.260 10.356 -3.749 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.243 11.487 -3.710 1.00 0.72 C ATOM 1665 CG2 VAL B 42 6.918 10.271 -5.119 1.00 0.78 C ATOM 0 H VAL B 42 8.153 12.052 -3.823 1.00 0.61 H new ATOM 0 HA VAL B 42 6.808 10.701 -1.693 1.00 0.62 H new ATOM 0 HB VAL B 42 5.734 9.419 -3.566 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.506 11.341 -4.499 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.742 11.493 -2.742 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.752 12.439 -3.861 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.151 10.146 -5.884 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.477 11.187 -5.312 1.00 0.78 H new ATOM 0 HG23 VAL B 42 7.598 9.419 -5.144 1.00 0.78 H new ATOM 1675 N GLU B 43 7.793 8.416 -1.589 1.00 0.56 N ATOM 1676 CA GLU B 43 8.489 7.153 -1.367 1.00 0.54 C ATOM 1677 C GLU B 43 7.484 6.013 -1.233 1.00 0.53 C ATOM 1678 O GLU B 43 6.525 6.109 -0.466 1.00 0.57 O ATOM 1679 CB GLU B 43 9.364 7.246 -0.111 1.00 0.54 C ATOM 1680 CG GLU B 43 10.170 8.533 -0.036 1.00 0.61 C ATOM 1681 CD GLU B 43 11.108 8.579 1.145 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.624 8.540 2.294 1.00 0.80 O ATOM 1683 OE2 GLU B 43 12.330 8.665 0.921 1.00 0.77 O ATOM 0 H GLU B 43 7.010 8.579 -0.956 1.00 0.56 H new ATOM 0 HA GLU B 43 9.131 6.950 -2.224 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.730 7.170 0.772 1.00 0.54 H new ATOM 0 HB3 GLU B 43 10.046 6.396 -0.087 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.746 8.647 -0.954 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.486 9.380 0.018 1.00 0.61 H new ATOM 1690 N VAL B 44 7.705 4.934 -1.981 1.00 0.51 N ATOM 1691 CA VAL B 44 6.797 3.795 -1.949 1.00 0.51 C ATOM 1692 C VAL B 44 7.324 2.658 -1.079 1.00 0.49 C ATOM 1693 O VAL B 44 8.264 1.950 -1.439 1.00 0.53 O ATOM 1694 CB VAL B 44 6.491 3.254 -3.364 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.426 4.100 -4.041 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.749 3.209 -4.216 1.00 0.59 C ATOM 0 H VAL B 44 8.500 4.827 -2.612 1.00 0.51 H new ATOM 0 HA VAL B 44 5.873 4.171 -1.509 1.00 0.51 H new ATOM 0 HB VAL B 44 6.114 2.236 -3.259 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.224 3.703 -5.036 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.511 4.076 -3.449 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.777 5.128 -4.125 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.504 2.824 -5.206 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.162 4.214 -4.309 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.484 2.557 -3.745 1.00 0.59 H new ATOM 1706 N VAL B 45 6.709 2.511 0.081 1.00 0.47 N ATOM 1707 CA VAL B 45 7.058 1.442 1.040 1.00 0.46 C ATOM 1708 C VAL B 45 6.158 0.203 0.832 1.00 0.48 C ATOM 1709 O VAL B 45 5.067 0.264 0.263 1.00 0.51 O ATOM 1710 CB VAL B 45 7.069 1.938 2.506 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.404 3.409 2.615 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.735 1.933 3.214 1.00 0.62 C ATOM 0 H VAL B 45 5.954 3.120 0.397 1.00 0.47 H new ATOM 0 HA VAL B 45 8.084 1.136 0.833 1.00 0.46 H new ATOM 0 HB VAL B 45 7.786 1.242 2.942 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.399 3.707 3.664 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.392 3.589 2.192 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.663 3.992 2.068 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.862 2.299 4.233 1.00 0.62 H new ATOM 0 HG22 VAL B 45 5.038 2.579 2.681 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.341 0.917 3.241 1.00 0.62 H new ATOM 1722 N ALA B 46 6.712 -0.953 1.147 1.00 0.48 N ATOM 1723 CA ALA B 46 5.996 -2.238 1.013 1.00 0.51 C ATOM 1724 C ALA B 46 6.304 -3.168 2.190 1.00 0.51 C ATOM 1725 O ALA B 46 7.346 -3.043 2.840 1.00 0.50 O ATOM 1726 CB ALA B 46 6.382 -2.914 -0.307 1.00 0.55 C ATOM 0 H ALA B 46 7.664 -1.043 1.502 1.00 0.48 H new ATOM 0 HA ALA B 46 4.925 -2.034 1.015 1.00 0.51 H new ATOM 0 HB1 ALA B 46 5.851 -3.861 -0.400 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.114 -2.265 -1.140 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.456 -3.098 -0.321 1.00 0.55 H new ATOM 1732 N SER B 47 5.358 -4.052 2.468 1.00 0.54 N ATOM 1733 CA SER B 47 5.504 -5.073 3.522 1.00 0.57 C ATOM 1734 C SER B 47 5.302 -6.474 2.943 1.00 0.60 C ATOM 1735 O SER B 47 4.348 -6.745 2.203 1.00 0.63 O ATOM 1736 CB SER B 47 4.496 -4.859 4.653 1.00 0.60 C ATOM 1737 OG SER B 47 4.610 -3.528 5.162 1.00 0.58 O ATOM 0 H SER B 47 4.465 -4.091 1.977 1.00 0.54 H new ATOM 0 HA SER B 47 6.513 -4.978 3.923 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.484 -5.032 4.287 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.674 -5.579 5.451 1.00 0.60 H new ATOM 0 HG SER B 47 3.961 -3.397 5.884 1.00 0.58 H new ATOM 1743 N LEU B 48 6.214 -7.374 3.296 1.00 0.62 N ATOM 1744 CA LEU B 48 6.157 -8.756 2.831 1.00 0.67 C ATOM 1745 C LEU B 48 5.132 -9.553 3.634 1.00 0.71 C ATOM 1746 O LEU B 48 4.686 -9.115 4.697 1.00 0.70 O ATOM 1747 CB LEU B 48 7.534 -9.419 2.946 1.00 0.68 C ATOM 1748 CG LEU B 48 8.539 -9.053 1.846 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.165 -7.692 2.110 1.00 0.70 C ATOM 1750 CD2 LEU B 48 9.615 -10.125 1.737 1.00 0.75 C ATOM 0 H LEU B 48 7.006 -7.170 3.906 1.00 0.62 H new ATOM 0 HA LEU B 48 5.854 -8.747 1.784 1.00 0.67 H new ATOM 0 HB2 LEU B 48 7.966 -9.154 3.911 1.00 0.68 H new ATOM 0 HB3 LEU B 48 7.398 -10.500 2.944 1.00 0.68 H new ATOM 0 HG LEU B 48 8.003 -8.998 0.898 1.00 0.70 H new ATOM 0 HD11 LEU B 48 9.873 -7.457 1.316 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.385 -6.932 2.137 1.00 0.70 H new ATOM 0 HD13 LEU B 48 9.686 -7.711 3.067 1.00 0.70 H new ATOM 0 HD21 LEU B 48 10.322 -9.853 0.953 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.142 -10.209 2.687 1.00 0.75 H new ATOM 0 HD23 LEU B 48 9.152 -11.081 1.493 1.00 0.75 H new ATOM 1762 N LYS B 49 4.768 -10.726 3.122 1.00 0.76 N ATOM 1763 CA LYS B 49 3.799 -11.591 3.792 1.00 0.82 C ATOM 1764 C LYS B 49 4.427 -12.273 5.009 1.00 0.84 C ATOM 1765 O LYS B 49 3.723 -12.755 5.898 1.00 0.89 O ATOM 1766 CB LYS B 49 3.265 -12.643 2.812 1.00 0.89 C ATOM 1767 CG LYS B 49 2.053 -13.409 3.324 1.00 0.98 C ATOM 1768 CD LYS B 49 0.853 -12.495 3.526 1.00 1.05 C ATOM 1769 CE LYS B 49 -0.344 -13.257 4.074 1.00 1.23 C ATOM 1770 NZ LYS B 49 -0.042 -13.902 5.382 1.00 1.27 N ATOM 0 H LYS B 49 5.129 -11.100 2.245 1.00 0.76 H new ATOM 0 HA LYS B 49 2.970 -10.974 4.137 1.00 0.82 H new ATOM 0 HB2 LYS B 49 3.002 -12.151 1.875 1.00 0.89 H new ATOM 0 HB3 LYS B 49 4.062 -13.352 2.587 1.00 0.89 H new ATOM 0 HG2 LYS B 49 1.795 -14.197 2.616 1.00 0.98 H new ATOM 0 HG3 LYS B 49 2.302 -13.896 4.267 1.00 0.98 H new ATOM 0 HD2 LYS B 49 1.119 -11.691 4.212 1.00 1.05 H new ATOM 0 HD3 LYS B 49 0.586 -12.029 2.577 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -1.186 -12.574 4.192 1.00 1.23 H new ATOM 0 HE3 LYS B 49 -0.649 -14.018 3.356 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -0.821 -13.720 6.047 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 0.066 -14.928 5.247 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 0.841 -13.509 5.767 1.00 1.27 H new ATOM 1784 N ASN B 50 5.757 -12.298 5.042 1.00 0.81 N ATOM 1785 CA ASN B 50 6.493 -12.913 6.143 1.00 0.84 C ATOM 1786 C ASN B 50 6.491 -12.012 7.376 1.00 0.80 C ATOM 1787 O ASN B 50 6.495 -12.497 8.508 1.00 0.97 O ATOM 1788 CB ASN B 50 7.932 -13.211 5.716 1.00 0.86 C ATOM 1789 CG ASN B 50 8.001 -14.155 4.531 1.00 0.94 C ATOM 1790 OD1 ASN B 50 7.142 -15.019 4.357 1.00 0.99 O ATOM 1791 ND2 ASN B 50 9.029 -13.992 3.704 1.00 0.97 N ATOM 0 H ASN B 50 6.349 -11.897 4.315 1.00 0.81 H new ATOM 0 HA ASN B 50 5.995 -13.848 6.401 1.00 0.84 H new ATOM 0 HB2 ASN B 50 8.433 -12.277 5.462 1.00 0.86 H new ATOM 0 HB3 ASN B 50 8.474 -13.646 6.555 1.00 0.86 H new ATOM 0 HD21 ASN B 50 9.128 -14.596 2.888 1.00 0.97 H new ATOM 0 HD22 ASN B 50 9.719 -13.263 3.885 1.00 0.97 H new ATOM 1798 N GLY B 51 6.480 -10.699 7.151 1.00 0.67 N ATOM 1799 CA GLY B 51 6.474 -9.754 8.254 1.00 0.65 C ATOM 1800 C GLY B 51 7.651 -8.799 8.210 1.00 0.60 C ATOM 1801 O GLY B 51 8.265 -8.512 9.238 1.00 0.67 O ATOM 0 H GLY B 51 6.475 -10.274 6.224 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.546 -9.182 8.233 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.490 -10.301 9.197 1.00 0.65 H new ATOM 1805 N LYS B 52 7.965 -8.306 7.014 1.00 0.57 N ATOM 1806 CA LYS B 52 9.077 -7.375 6.836 1.00 0.55 C ATOM 1807 C LYS B 52 8.629 -6.121 6.093 1.00 0.51 C ATOM 1808 O LYS B 52 7.550 -6.091 5.510 1.00 0.60 O ATOM 1809 CB LYS B 52 10.217 -8.048 6.064 1.00 0.59 C ATOM 1810 CG LYS B 52 10.946 -9.123 6.856 1.00 0.66 C ATOM 1811 CD LYS B 52 12.104 -9.713 6.063 1.00 0.79 C ATOM 1812 CE LYS B 52 13.236 -8.712 5.891 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.402 -9.306 5.180 1.00 1.05 N ATOM 0 H LYS B 52 7.466 -8.535 6.155 1.00 0.57 H new ATOM 0 HA LYS B 52 9.431 -7.086 7.826 1.00 0.55 H new ATOM 0 HB2 LYS B 52 9.814 -8.491 5.153 1.00 0.59 H new ATOM 0 HB3 LYS B 52 10.934 -7.287 5.757 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.321 -8.699 7.788 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.247 -9.915 7.125 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.478 -10.601 6.572 1.00 0.79 H new ATOM 0 HD3 LYS B 52 11.749 -10.032 5.083 1.00 0.79 H new ATOM 0 HE2 LYS B 52 12.874 -7.847 5.335 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.553 -8.351 6.870 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 15.151 -8.591 5.084 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.764 -10.116 5.723 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.106 -9.627 4.236 1.00 1.05 H new ATOM 1827 N GLU B 53 9.464 -5.088 6.130 1.00 0.53 N ATOM 1828 CA GLU B 53 9.172 -3.817 5.447 1.00 0.50 C ATOM 1829 C GLU B 53 10.466 -3.208 4.900 1.00 0.50 C ATOM 1830 O GLU B 53 11.482 -3.122 5.596 1.00 0.52 O ATOM 1831 CB GLU B 53 8.480 -2.854 6.419 1.00 0.51 C ATOM 1832 CG GLU B 53 9.402 -2.433 7.570 1.00 0.66 C ATOM 1833 CD GLU B 53 8.688 -1.665 8.667 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.765 -2.267 9.252 1.00 0.67 O ATOM 1835 OE2 GLU B 53 9.141 -0.534 8.943 1.00 0.71 O ATOM 0 H GLU B 53 10.355 -5.099 6.627 1.00 0.53 H new ATOM 0 HA GLU B 53 8.501 -4.001 4.608 1.00 0.50 H new ATOM 0 HB2 GLU B 53 8.150 -1.968 5.877 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.587 -3.330 6.826 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.862 -3.322 8.000 1.00 0.66 H new ATOM 0 HG3 GLU B 53 10.209 -1.817 7.172 1.00 0.66 H new ATOM 1842 N ILE B 54 10.415 -2.856 3.636 1.00 0.47 N ATOM 1843 CA ILE B 54 11.568 -2.214 2.970 1.00 0.47 C ATOM 1844 C ILE B 54 11.114 -0.918 2.283 1.00 0.45 C ATOM 1845 O ILE B 54 9.926 -0.587 2.251 1.00 0.43 O ATOM 1846 CB ILE B 54 12.262 -3.194 2.006 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.313 -3.625 0.873 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.856 -4.382 2.788 1.00 0.52 C ATOM 1849 CD1 ILE B 54 11.968 -4.461 -0.230 1.00 0.49 C ATOM 0 H ILE B 54 9.602 -2.994 3.036 1.00 0.47 H new ATOM 0 HA ILE B 54 12.316 -1.943 3.715 1.00 0.47 H new ATOM 0 HB ILE B 54 13.096 -2.687 1.520 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.492 -4.197 1.304 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.878 -2.733 0.423 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.344 -5.067 2.094 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.587 -4.014 3.509 1.00 0.52 H new ATOM 0 HG23 ILE B 54 12.059 -4.906 3.315 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.223 -4.717 -0.983 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.770 -3.887 -0.694 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.378 -5.375 0.201 1.00 0.49 H new ATOM 1861 N CYS B 55 12.083 -0.261 1.660 1.00 0.45 N ATOM 1862 CA CYS B 55 11.840 0.971 0.901 1.00 0.44 C ATOM 1863 C CYS B 55 12.419 0.822 -0.499 1.00 0.45 C ATOM 1864 O CYS B 55 13.547 0.374 -0.686 1.00 0.48 O ATOM 1865 CB CYS B 55 12.517 2.152 1.585 1.00 0.44 C ATOM 1866 SG CYS B 55 11.754 2.614 3.179 1.00 0.44 S ATOM 0 H CYS B 55 13.058 -0.561 1.663 1.00 0.45 H new ATOM 0 HA CYS B 55 10.766 1.147 0.850 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.567 1.911 1.751 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.489 3.012 0.916 1.00 0.44 H new ATOM 1871 N LEU B 56 11.648 1.295 -1.450 1.00 0.44 N ATOM 1872 CA LEU B 56 12.030 1.209 -2.856 1.00 0.47 C ATOM 1873 C LEU B 56 12.265 2.625 -3.389 1.00 0.48 C ATOM 1874 O LEU B 56 11.667 3.597 -2.916 1.00 0.46 O ATOM 1875 CB LEU B 56 10.869 0.458 -3.523 1.00 0.46 C ATOM 1876 CG LEU B 56 10.550 -0.960 -3.028 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.523 -1.592 -3.968 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.793 -1.849 -2.931 1.00 0.49 C ATOM 0 H LEU B 56 10.748 1.746 -1.284 1.00 0.44 H new ATOM 0 HA LEU B 56 12.961 0.676 -3.051 1.00 0.47 H new ATOM 0 HB2 LEU B 56 9.969 1.063 -3.407 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.078 0.400 -4.591 1.00 0.46 H new ATOM 0 HG LEU B 56 10.148 -0.879 -2.018 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.289 -2.600 -3.626 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.614 -0.990 -3.972 1.00 0.47 H new ATOM 0 HD13 LEU B 56 9.933 -1.637 -4.977 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.506 -2.839 -2.576 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.255 -1.936 -3.914 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.504 -1.406 -2.234 1.00 0.49 H new ATOM 1890 N ASP B 57 13.134 2.752 -4.386 1.00 0.50 N ATOM 1891 CA ASP B 57 13.404 4.055 -4.992 1.00 0.52 C ATOM 1892 C ASP B 57 12.632 4.199 -6.302 1.00 0.54 C ATOM 1893 O ASP B 57 12.946 3.523 -7.282 1.00 0.59 O ATOM 1894 CB ASP B 57 14.899 4.234 -5.258 1.00 0.57 C ATOM 1895 CG ASP B 57 15.333 5.683 -5.153 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.672 6.548 -5.765 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.332 5.953 -4.457 1.00 0.63 O ATOM 0 H ASP B 57 13.660 1.977 -4.790 1.00 0.50 H new ATOM 0 HA ASP B 57 13.078 4.825 -4.293 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.467 3.635 -4.546 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.136 3.857 -6.253 1.00 0.57 H new ATOM 1902 N PRO B 58 11.613 5.088 -6.344 1.00 0.55 N ATOM 1903 CA PRO B 58 10.791 5.300 -7.544 1.00 0.61 C ATOM 1904 C PRO B 58 11.570 5.940 -8.690 1.00 0.69 C ATOM 1905 O PRO B 58 11.059 6.074 -9.803 1.00 0.83 O ATOM 1906 CB PRO B 58 9.679 6.247 -7.075 1.00 0.64 C ATOM 1907 CG PRO B 58 9.765 6.283 -5.588 1.00 0.60 C ATOM 1908 CD PRO B 58 11.189 5.959 -5.234 1.00 0.57 C ATOM 0 HA PRO B 58 10.425 4.352 -7.938 1.00 0.61 H new ATOM 0 HB2 PRO B 58 9.812 7.243 -7.497 1.00 0.64 H new ATOM 0 HB3 PRO B 58 8.701 5.891 -7.400 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.485 7.265 -5.207 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.081 5.561 -5.142 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.803 6.857 -5.168 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.261 5.452 -4.272 1.00 0.57 H new ATOM 1916 N GLU B 59 12.811 6.330 -8.409 1.00 0.65 N ATOM 1917 CA GLU B 59 13.670 6.955 -9.406 1.00 0.77 C ATOM 1918 C GLU B 59 14.280 5.906 -10.337 1.00 0.82 C ATOM 1919 O GLU B 59 14.852 6.246 -11.375 1.00 0.91 O ATOM 1920 CB GLU B 59 14.773 7.762 -8.712 1.00 0.83 C ATOM 1921 CG GLU B 59 15.550 8.687 -9.637 1.00 1.10 C ATOM 1922 CD GLU B 59 16.513 9.586 -8.880 1.00 1.18 C ATOM 1923 OE1 GLU B 59 16.057 10.600 -8.309 1.00 1.28 O ATOM 1924 OE2 GLU B 59 17.723 9.278 -8.865 1.00 1.40 O ATOM 0 H GLU B 59 13.245 6.222 -7.492 1.00 0.65 H new ATOM 0 HA GLU B 59 13.064 7.629 -10.011 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.325 8.356 -7.916 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.471 7.070 -8.240 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.106 8.090 -10.360 1.00 1.10 H new ATOM 0 HG3 GLU B 59 14.850 9.303 -10.203 1.00 1.10 H new ATOM 1931 N ALA B 60 14.149 4.621 -9.981 1.00 0.80 N ATOM 1932 CA ALA B 60 14.710 3.563 -10.827 1.00 0.88 C ATOM 1933 C ALA B 60 13.615 2.933 -11.708 1.00 0.91 C ATOM 1934 O ALA B 60 12.560 2.544 -11.199 1.00 0.89 O ATOM 1935 CB ALA B 60 15.370 2.534 -9.913 1.00 0.88 C ATOM 0 H ALA B 60 13.674 4.296 -9.139 1.00 0.80 H new ATOM 0 HA ALA B 60 15.456 3.971 -11.509 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.797 1.733 -10.516 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.160 3.014 -9.335 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.625 2.119 -9.234 1.00 0.88 H new ATOM 1941 N PRO B 61 13.916 2.730 -12.996 1.00 0.99 N ATOM 1942 CA PRO B 61 12.970 2.159 -13.977 1.00 1.03 C ATOM 1943 C PRO B 61 12.588 0.703 -13.679 1.00 1.03 C ATOM 1944 O PRO B 61 11.405 0.376 -13.624 1.00 1.01 O ATOM 1945 CB PRO B 61 13.683 2.295 -15.323 1.00 1.15 C ATOM 1946 CG PRO B 61 15.164 2.213 -14.955 1.00 1.19 C ATOM 1947 CD PRO B 61 15.232 2.971 -13.629 1.00 1.07 C ATOM 0 HA PRO B 61 12.016 2.686 -13.952 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.396 1.500 -16.011 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.443 3.240 -15.810 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.496 1.181 -14.847 1.00 1.19 H new ATOM 0 HG3 PRO B 61 15.795 2.673 -15.716 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.046 2.605 -13.004 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.407 4.035 -13.789 1.00 1.07 H new ATOM 1955 N PHE B 62 13.582 -0.101 -13.288 1.00 1.06 N ATOM 1956 CA PHE B 62 13.364 -1.512 -12.901 1.00 1.08 C ATOM 1957 C PHE B 62 12.421 -1.633 -11.699 1.00 0.98 C ATOM 1958 O PHE B 62 11.682 -2.603 -11.563 1.00 0.98 O ATOM 1959 CB PHE B 62 14.688 -2.218 -12.587 1.00 1.15 C ATOM 1960 CG PHE B 62 15.416 -1.631 -11.375 1.00 1.11 C ATOM 1961 CD1 PHE B 62 15.142 -2.108 -10.101 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.373 -0.641 -11.561 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.824 -1.599 -9.009 1.00 1.07 C ATOM 1964 CE2 PHE B 62 17.067 -0.145 -10.469 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.785 -0.614 -9.194 1.00 1.10 C ATOM 0 H PHE B 62 14.555 0.198 -13.229 1.00 1.06 H new ATOM 0 HA PHE B 62 12.898 -2.000 -13.757 1.00 1.08 H new ATOM 0 HB2 PHE B 62 14.494 -3.276 -12.408 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.340 -2.156 -13.458 1.00 1.15 H new ATOM 0 HD1 PHE B 62 14.396 -2.877 -9.961 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.575 -0.260 -12.551 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.609 -1.967 -8.017 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.828 0.608 -10.611 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.315 -0.212 -8.343 1.00 1.10 H new ATOM 1975 N LEU B 63 12.401 -0.596 -10.881 1.00 0.90 N ATOM 1976 CA LEU B 63 11.541 -0.561 -9.717 1.00 0.80 C ATOM 1977 C LEU B 63 10.110 -0.203 -10.122 1.00 0.83 C ATOM 1978 O LEU B 63 9.154 -0.627 -9.479 1.00 0.83 O ATOM 1979 CB LEU B 63 12.082 0.452 -8.721 1.00 0.71 C ATOM 1980 CG LEU B 63 11.617 0.255 -7.289 1.00 0.64 C ATOM 1981 CD1 LEU B 63 12.825 0.173 -6.370 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.673 1.385 -6.884 1.00 0.62 C ATOM 0 H LEU B 63 12.976 0.238 -11.005 1.00 0.90 H new ATOM 0 HA LEU B 63 11.525 -1.547 -9.252 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.171 0.414 -8.742 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.792 1.451 -9.047 1.00 0.71 H new ATOM 0 HG LEU B 63 11.063 -0.680 -7.205 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.491 0.032 -5.342 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.452 -0.668 -6.667 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.400 1.097 -6.441 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.345 1.234 -5.855 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.193 2.340 -6.963 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.806 1.389 -7.544 1.00 0.62 H new ATOM 1994 N LYS B 64 9.980 0.567 -11.204 1.00 0.87 N ATOM 1995 CA LYS B 64 8.677 0.984 -11.723 1.00 0.93 C ATOM 1996 C LYS B 64 7.951 -0.194 -12.388 1.00 0.97 C ATOM 1997 O LYS B 64 6.732 -0.181 -12.558 1.00 1.03 O ATOM 1998 CB LYS B 64 8.864 2.131 -12.723 1.00 1.02 C ATOM 1999 CG LYS B 64 7.565 2.720 -13.251 1.00 1.12 C ATOM 2000 CD LYS B 64 7.800 3.578 -14.486 1.00 1.30 C ATOM 2001 CE LYS B 64 8.119 2.728 -15.707 1.00 1.47 C ATOM 2002 NZ LYS B 64 8.297 3.556 -16.931 1.00 1.71 N ATOM 0 H LYS B 64 10.772 0.918 -11.743 1.00 0.87 H new ATOM 0 HA LYS B 64 8.063 1.330 -10.892 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.441 2.923 -12.245 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.454 1.770 -13.565 1.00 1.02 H new ATOM 0 HG2 LYS B 64 6.872 1.915 -13.493 1.00 1.12 H new ATOM 0 HG3 LYS B 64 7.095 3.322 -12.473 1.00 1.12 H new ATOM 0 HD2 LYS B 64 6.914 4.182 -14.684 1.00 1.30 H new ATOM 0 HD3 LYS B 64 8.622 4.269 -14.298 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.027 2.154 -15.522 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.315 2.010 -15.869 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 8.513 2.938 -17.740 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 7.422 4.085 -17.123 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 9.081 4.224 -16.787 1.00 1.71 H new ATOM 2016 N LYS B 65 8.726 -1.206 -12.757 1.00 0.98 N ATOM 2017 CA LYS B 65 8.206 -2.430 -13.392 1.00 1.04 C ATOM 2018 C LYS B 65 7.511 -3.370 -12.402 1.00 1.02 C ATOM 2019 O LYS B 65 6.312 -3.617 -12.516 1.00 1.07 O ATOM 2020 CB LYS B 65 9.348 -3.172 -14.075 1.00 1.07 C ATOM 2021 CG LYS B 65 9.932 -2.358 -15.229 1.00 1.14 C ATOM 2022 CD LYS B 65 10.997 -3.162 -15.980 1.00 1.20 C ATOM 2023 CE LYS B 65 10.422 -4.395 -16.689 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.445 -4.021 -17.723 1.00 1.36 N ATOM 0 H LYS B 65 9.738 -1.210 -12.628 1.00 0.98 H new ATOM 0 HA LYS B 65 7.456 -2.118 -14.119 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.130 -3.387 -13.347 1.00 1.07 H new ATOM 0 HB3 LYS B 65 8.988 -4.130 -14.449 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.136 -2.070 -15.916 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.370 -1.437 -14.845 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.480 -2.518 -16.715 1.00 1.20 H new ATOM 0 HD3 LYS B 65 11.768 -3.479 -15.278 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.233 -4.965 -17.143 1.00 1.27 H new ATOM 0 HE3 LYS B 65 9.946 -5.047 -15.957 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.218 -4.854 -18.303 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.578 -3.668 -17.270 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 9.847 -3.277 -18.328 1.00 1.36 H new ATOM 2038 N VAL B 66 8.250 -3.763 -11.366 1.00 0.96 N ATOM 2039 CA VAL B 66 7.722 -4.637 -10.326 1.00 0.95 C ATOM 2040 C VAL B 66 6.536 -3.992 -9.592 1.00 0.95 C ATOM 2041 O VAL B 66 5.662 -4.698 -9.089 1.00 0.97 O ATOM 2042 CB VAL B 66 8.817 -5.031 -9.310 1.00 0.92 C ATOM 2043 CG1 VAL B 66 9.915 -5.820 -10.002 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.398 -3.805 -8.619 1.00 0.91 C ATOM 0 H VAL B 66 9.222 -3.487 -11.226 1.00 0.96 H new ATOM 0 HA VAL B 66 7.369 -5.540 -10.824 1.00 0.95 H new ATOM 0 HB VAL B 66 8.358 -5.658 -8.545 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.681 -6.092 -9.276 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.493 -6.724 -10.440 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.361 -5.211 -10.788 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.166 -4.116 -7.910 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.839 -3.142 -9.364 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.606 -3.277 -8.087 1.00 0.91 H new ATOM 2054 N ILE B 67 6.502 -2.652 -9.534 1.00 0.95 N ATOM 2055 CA ILE B 67 5.390 -1.962 -8.881 1.00 0.97 C ATOM 2056 C ILE B 67 4.210 -1.838 -9.839 1.00 1.02 C ATOM 2057 O ILE B 67 3.067 -1.720 -9.408 1.00 1.08 O ATOM 2058 CB ILE B 67 5.763 -0.569 -8.320 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.140 0.393 -9.446 1.00 1.00 C ATOM 2060 CG2 ILE B 67 6.892 -0.692 -7.305 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.301 1.830 -8.994 1.00 1.07 C ATOM 0 H ILE B 67 7.218 -2.039 -9.924 1.00 0.95 H new ATOM 0 HA ILE B 67 5.116 -2.576 -8.023 1.00 0.97 H new ATOM 0 HB ILE B 67 4.890 -0.158 -7.814 1.00 0.99 H new ATOM 0 HG12 ILE B 67 7.072 0.058 -9.900 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.374 0.349 -10.220 1.00 1.00 H new ATOM 0 HG21 ILE B 67 7.144 0.296 -6.919 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.574 -1.333 -6.483 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.768 -1.127 -7.786 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.569 2.452 -9.848 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.363 2.184 -8.567 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.088 1.889 -8.242 1.00 1.07 H new ATOM 2073 N GLN B 68 4.486 -1.840 -11.148 1.00 1.04 N ATOM 2074 CA GLN B 68 3.400 -1.801 -12.142 1.00 1.12 C ATOM 2075 C GLN B 68 2.614 -3.122 -12.133 1.00 1.11 C ATOM 2076 O GLN B 68 1.384 -3.116 -12.114 1.00 1.15 O ATOM 2077 CB GLN B 68 3.983 -1.552 -13.527 1.00 1.19 C ATOM 2078 CG GLN B 68 2.875 -1.315 -14.544 1.00 1.30 C ATOM 2079 CD GLN B 68 3.467 -1.038 -15.920 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.255 -1.784 -16.478 1.00 1.39 O ATOM 2081 NE2 GLN B 68 3.033 0.062 -16.488 1.00 1.52 N ATOM 0 H GLN B 68 5.427 -1.867 -11.540 1.00 1.04 H new ATOM 0 HA GLN B 68 2.717 -0.991 -11.886 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.647 -0.688 -13.497 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.586 -2.407 -13.832 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.223 -2.187 -14.591 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.259 -0.473 -14.230 1.00 1.30 H new ATOM 0 HE21 GLN B 68 2.374 0.665 -15.995 1.00 1.52 H new ATOM 0 HE22 GLN B 68 3.354 0.314 -17.423 1.00 1.52 H new ATOM 2090 N LYS B 69 3.338 -4.241 -12.057 1.00 1.10 N ATOM 2091 CA LYS B 69 2.728 -5.578 -12.055 1.00 1.13 C ATOM 2092 C LYS B 69 1.714 -5.789 -10.920 1.00 1.15 C ATOM 2093 O LYS B 69 0.777 -6.574 -11.070 1.00 1.23 O ATOM 2094 CB LYS B 69 3.812 -6.653 -11.959 1.00 1.11 C ATOM 2095 CG LYS B 69 4.744 -6.703 -13.158 1.00 1.16 C ATOM 2096 CD LYS B 69 5.767 -7.819 -13.010 1.00 1.24 C ATOM 2097 CE LYS B 69 6.649 -7.949 -14.240 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.612 -9.078 -14.114 1.00 1.61 N ATOM 0 H LYS B 69 4.356 -4.250 -11.995 1.00 1.10 H new ATOM 0 HA LYS B 69 2.183 -5.660 -12.995 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.403 -6.478 -11.060 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.335 -7.626 -11.843 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.163 -6.856 -14.068 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.257 -5.747 -13.264 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.390 -7.627 -12.136 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.251 -8.763 -12.832 1.00 1.24 H new ATOM 0 HE2 LYS B 69 6.025 -8.101 -15.120 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.197 -7.019 -14.394 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 8.196 -9.134 -14.973 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.225 -8.921 -13.289 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 7.089 -9.969 -13.992 1.00 1.61 H new ATOM 2112 N ILE B 70 1.893 -5.105 -9.790 1.00 1.14 N ATOM 2113 CA ILE B 70 0.974 -5.266 -8.656 1.00 1.20 C ATOM 2114 C ILE B 70 -0.236 -4.334 -8.755 1.00 1.31 C ATOM 2115 O ILE B 70 -1.120 -4.360 -7.897 1.00 1.43 O ATOM 2116 CB ILE B 70 1.675 -5.034 -7.298 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.341 -3.656 -7.257 1.00 1.17 C ATOM 2118 CG2 ILE B 70 2.694 -6.133 -7.033 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.033 -3.348 -5.945 1.00 1.30 C ATOM 0 H ILE B 70 2.653 -4.443 -9.633 1.00 1.14 H new ATOM 0 HA ILE B 70 0.631 -6.299 -8.706 1.00 1.20 H new ATOM 0 HB ILE B 70 0.920 -5.066 -6.512 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.070 -3.591 -8.065 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.586 -2.893 -7.447 1.00 1.17 H new ATOM 0 HG21 ILE B 70 3.179 -5.956 -6.073 1.00 1.29 H new ATOM 0 HG22 ILE B 70 2.190 -7.099 -7.012 1.00 1.29 H new ATOM 0 HG23 ILE B 70 3.444 -6.132 -7.824 1.00 1.29 H new ATOM 0 HD11 ILE B 70 3.480 -2.355 -5.994 1.00 1.30 H new ATOM 0 HD12 ILE B 70 2.305 -3.379 -5.134 1.00 1.30 H new ATOM 0 HD13 ILE B 70 3.812 -4.088 -5.762 1.00 1.30 H new