USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 556 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 57 SER OG : rot 180:sc= -0.278 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.09 F(o=-3.6!,f=-1.1) USER MOD Single : A 12 SER OG : rot -2:sc= 0.785 USER MOD Single : A 17 SER OG : rot 36:sc= 0.963 USER MOD Single : A 22 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-7!) USER MOD Single : A 27 SER OG : rot -120:sc= 0.0996 USER MOD Single : A 29 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.31) USER MOD Single : A 33 MET CE :methyl 162:sc= -0.0732 (180deg=-0.506) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -164:sc= -0.867 (180deg=-1.56!) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.112 F(o=-2.7,f=-0.11) USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= 1.14 (180deg=0.778) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl -138:sc= -0.179 (180deg=-0.801) USER MOD Single : A 67 THR OG1 : rot 138:sc= 0.221 USER MOD Single : A 74 GLN : amide:sc= -2.13! C(o=-2.1!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 10 N PRO A 2 11.540 -6.524 -6.286 1.00 0.70 N ATOM 11 CA PRO A 2 10.355 -7.174 -6.862 1.00 0.54 C ATOM 12 C PRO A 2 9.053 -6.493 -6.449 1.00 0.42 C ATOM 13 O PRO A 2 8.877 -6.108 -5.289 1.00 0.41 O ATOM 14 CB PRO A 2 10.408 -8.596 -6.294 1.00 0.73 C ATOM 15 CG PRO A 2 11.829 -8.790 -5.907 1.00 0.95 C ATOM 16 CD PRO A 2 12.299 -7.449 -5.431 1.00 0.85 C ATOM 0 HA PRO A 2 10.368 -7.132 -7.951 1.00 0.54 H new ATOM 0 HB2 PRO A 2 9.745 -8.706 -5.436 1.00 0.73 H new ATOM 0 HB3 PRO A 2 10.095 -9.331 -7.035 1.00 0.73 H new ATOM 0 HG2 PRO A 2 11.923 -9.541 -5.122 1.00 0.95 H new ATOM 0 HG3 PRO A 2 12.423 -9.137 -6.753 1.00 0.95 H new ATOM 0 HD2 PRO A 2 12.082 -7.295 -4.374 1.00 0.85 H new ATOM 0 HD3 PRO A 2 13.375 -7.328 -5.557 1.00 0.85 H new ATOM 24 N GLU A 3 8.146 -6.360 -7.404 1.00 0.42 N ATOM 25 CA GLU A 3 6.866 -5.705 -7.168 1.00 0.34 C ATOM 26 C GLU A 3 5.822 -6.714 -6.694 1.00 0.32 C ATOM 27 O GLU A 3 5.736 -7.823 -7.218 1.00 0.45 O ATOM 28 CB GLU A 3 6.390 -5.012 -8.450 1.00 0.40 C ATOM 29 CG GLU A 3 5.064 -4.277 -8.306 1.00 0.46 C ATOM 30 CD GLU A 3 4.562 -3.720 -9.624 1.00 0.75 C ATOM 31 OE1 GLU A 3 4.133 -4.519 -10.484 1.00 1.02 O ATOM 32 OE2 GLU A 3 4.601 -2.488 -9.811 1.00 1.13 O ATOM 0 H GLU A 3 8.273 -6.699 -8.357 1.00 0.42 H new ATOM 0 HA GLU A 3 6.997 -4.957 -6.386 1.00 0.34 H new ATOM 0 HB2 GLU A 3 7.153 -4.303 -8.771 1.00 0.40 H new ATOM 0 HB3 GLU A 3 6.296 -5.758 -9.239 1.00 0.40 H new ATOM 0 HG2 GLU A 3 4.318 -4.957 -7.895 1.00 0.46 H new ATOM 0 HG3 GLU A 3 5.180 -3.462 -7.592 1.00 0.46 H new ATOM 39 N HIS A 4 5.046 -6.331 -5.691 1.00 0.26 N ATOM 40 CA HIS A 4 3.974 -7.172 -5.176 1.00 0.28 C ATOM 41 C HIS A 4 2.689 -6.358 -5.080 1.00 0.27 C ATOM 42 O HIS A 4 2.740 -5.135 -4.966 1.00 0.36 O ATOM 43 CB HIS A 4 4.337 -7.727 -3.793 1.00 0.33 C ATOM 44 CG HIS A 4 5.642 -8.468 -3.748 1.00 0.40 C ATOM 45 ND1 HIS A 4 5.809 -9.744 -4.240 1.00 0.49 N ATOM 46 CD2 HIS A 4 6.850 -8.098 -3.261 1.00 0.46 C ATOM 47 CE1 HIS A 4 7.055 -10.128 -4.052 1.00 0.55 C ATOM 48 NE2 HIS A 4 7.710 -9.148 -3.460 1.00 0.54 N ATOM 0 H HIS A 4 5.140 -5.435 -5.213 1.00 0.26 H new ATOM 0 HA HIS A 4 3.829 -8.009 -5.859 1.00 0.28 H new ATOM 0 HB2 HIS A 4 4.376 -6.902 -3.082 1.00 0.33 H new ATOM 0 HB3 HIS A 4 3.542 -8.395 -3.462 1.00 0.33 H new ATOM 0 HD2 HIS A 4 7.092 -7.151 -2.801 1.00 0.46 H new ATOM 0 HE1 HIS A 4 7.470 -11.084 -4.335 1.00 0.55 H new ATOM 0 HE2 HIS A 4 8.694 -9.168 -3.194 1.00 0.54 H new ATOM 57 N ARG A 5 1.546 -7.029 -5.132 1.00 0.30 N ATOM 58 CA ARG A 5 0.257 -6.352 -5.040 1.00 0.33 C ATOM 59 C ARG A 5 -0.213 -6.284 -3.594 1.00 0.23 C ATOM 60 O ARG A 5 0.062 -7.191 -2.808 1.00 0.32 O ATOM 61 CB ARG A 5 -0.779 -7.073 -5.901 1.00 0.49 C ATOM 62 CG ARG A 5 -0.514 -6.939 -7.388 1.00 0.85 C ATOM 63 CD ARG A 5 -0.601 -5.487 -7.822 1.00 0.80 C ATOM 64 NE ARG A 5 -0.225 -5.300 -9.220 1.00 1.37 N ATOM 65 CZ ARG A 5 -0.545 -4.220 -9.933 1.00 1.81 C ATOM 66 NH1 ARG A 5 -1.291 -3.264 -9.392 1.00 2.17 N ATOM 67 NH2 ARG A 5 -0.125 -4.097 -11.185 1.00 2.51 N ATOM 0 H ARG A 5 1.484 -8.042 -5.237 1.00 0.30 H new ATOM 0 HA ARG A 5 0.375 -5.333 -5.410 1.00 0.33 H new ATOM 0 HB2 ARG A 5 -0.792 -8.130 -5.634 1.00 0.49 H new ATOM 0 HB3 ARG A 5 -1.769 -6.675 -5.677 1.00 0.49 H new ATOM 0 HG2 ARG A 5 0.474 -7.335 -7.623 1.00 0.85 H new ATOM 0 HG3 ARG A 5 -1.237 -7.534 -7.946 1.00 0.85 H new ATOM 0 HD2 ARG A 5 -1.618 -5.126 -7.671 1.00 0.80 H new ATOM 0 HD3 ARG A 5 0.049 -4.882 -7.190 1.00 0.80 H new ATOM 0 HE ARG A 5 0.313 -6.037 -9.677 1.00 1.37 H new ATOM 0 HH11 ARG A 5 -1.619 -3.356 -8.431 1.00 2.17 H new ATOM 0 HH12 ARG A 5 -1.536 -2.438 -9.938 1.00 2.17 H new ATOM 0 HH21 ARG A 5 0.445 -4.830 -11.606 1.00 2.51 H new ATOM 0 HH22 ARG A 5 -0.372 -3.269 -11.727 1.00 2.51 H new ATOM 81 N ALA A 6 -0.918 -5.212 -3.242 1.00 0.18 N ATOM 82 CA ALA A 6 -1.370 -5.027 -1.874 1.00 0.24 C ATOM 83 C ALA A 6 -2.575 -4.099 -1.791 1.00 0.21 C ATOM 84 O ALA A 6 -2.610 -3.042 -2.413 1.00 0.23 O ATOM 85 CB ALA A 6 -0.240 -4.477 -1.027 1.00 0.41 C ATOM 0 H ALA A 6 -1.185 -4.465 -3.883 1.00 0.18 H new ATOM 0 HA ALA A 6 -1.677 -6.002 -1.495 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -0.586 -4.341 -0.002 1.00 0.41 H new ATOM 0 HB2 ALA A 6 0.596 -5.176 -1.038 1.00 0.41 H new ATOM 0 HB3 ALA A 6 0.084 -3.518 -1.431 1.00 0.41 H new ATOM 91 N VAL A 7 -3.563 -4.511 -1.018 1.00 0.19 N ATOM 92 CA VAL A 7 -4.722 -3.679 -0.741 1.00 0.16 C ATOM 93 C VAL A 7 -4.833 -3.442 0.759 1.00 0.16 C ATOM 94 O VAL A 7 -4.423 -4.294 1.551 1.00 0.20 O ATOM 95 CB VAL A 7 -6.027 -4.317 -1.267 1.00 0.19 C ATOM 96 CG1 VAL A 7 -6.035 -4.339 -2.786 1.00 0.20 C ATOM 97 CG2 VAL A 7 -6.209 -5.724 -0.714 1.00 0.24 C ATOM 0 H VAL A 7 -3.586 -5.425 -0.567 1.00 0.19 H new ATOM 0 HA VAL A 7 -4.585 -2.730 -1.260 1.00 0.16 H new ATOM 0 HB VAL A 7 -6.862 -3.707 -0.923 1.00 0.19 H new ATOM 0 HG11 VAL A 7 -6.962 -4.792 -3.138 1.00 0.20 H new ATOM 0 HG12 VAL A 7 -5.962 -3.320 -3.165 1.00 0.20 H new ATOM 0 HG13 VAL A 7 -5.187 -4.921 -3.146 1.00 0.20 H new ATOM 0 HG21 VAL A 7 -7.135 -6.150 -1.100 1.00 0.24 H new ATOM 0 HG22 VAL A 7 -5.368 -6.347 -1.020 1.00 0.24 H new ATOM 0 HG23 VAL A 7 -6.254 -5.684 0.374 1.00 0.24 H new ATOM 107 N GLY A 8 -5.353 -2.289 1.156 1.00 0.19 N ATOM 108 CA GLY A 8 -5.476 -1.997 2.569 1.00 0.23 C ATOM 109 C GLY A 8 -6.042 -0.622 2.842 1.00 0.20 C ATOM 110 O GLY A 8 -6.479 0.073 1.925 1.00 0.28 O ATOM 0 H GLY A 8 -5.689 -1.557 0.531 1.00 0.19 H new ATOM 0 HA2 GLY A 8 -6.116 -2.746 3.035 1.00 0.23 H new ATOM 0 HA3 GLY A 8 -4.496 -2.080 3.038 1.00 0.23 H new ATOM 114 N ARG A 9 -6.022 -0.227 4.105 1.00 0.19 N ATOM 115 CA ARG A 9 -6.580 1.046 4.526 1.00 0.19 C ATOM 116 C ARG A 9 -5.474 1.986 4.981 1.00 0.19 C ATOM 117 O ARG A 9 -4.581 1.592 5.732 1.00 0.24 O ATOM 118 CB ARG A 9 -7.590 0.831 5.651 1.00 0.25 C ATOM 119 CG ARG A 9 -8.274 2.108 6.111 1.00 0.49 C ATOM 120 CD ARG A 9 -9.309 1.822 7.183 1.00 0.63 C ATOM 121 NE ARG A 9 -8.713 1.210 8.371 1.00 1.52 N ATOM 122 CZ ARG A 9 -8.962 -0.039 8.776 1.00 2.08 C ATOM 123 NH1 ARG A 9 -9.832 -0.795 8.118 1.00 2.10 N ATOM 124 NH2 ARG A 9 -8.351 -0.525 9.846 1.00 3.19 N ATOM 0 H ARG A 9 -5.620 -0.778 4.864 1.00 0.19 H new ATOM 0 HA ARG A 9 -7.092 1.500 3.678 1.00 0.19 H new ATOM 0 HB2 ARG A 9 -8.349 0.124 5.316 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -7.082 0.375 6.501 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -7.529 2.803 6.498 1.00 0.49 H new ATOM 0 HG3 ARG A 9 -8.752 2.594 5.261 1.00 0.49 H new ATOM 0 HD2 ARG A 9 -9.806 2.751 7.464 1.00 0.63 H new ATOM 0 HD3 ARG A 9 -10.075 1.160 6.780 1.00 0.63 H new ATOM 0 HE ARG A 9 -8.067 1.772 8.925 1.00 1.52 H new ATOM 0 HH11 ARG A 9 -10.314 -0.423 7.299 1.00 2.10 H new ATOM 0 HH12 ARG A 9 -10.019 -1.748 8.431 1.00 2.10 H new ATOM 0 HH21 ARG A 9 -7.689 0.054 10.362 1.00 3.19 H new ATOM 0 HH22 ARG A 9 -8.542 -1.479 10.154 1.00 3.19 H new ATOM 138 N ILE A 10 -5.539 3.220 4.521 1.00 0.17 N ATOM 139 CA ILE A 10 -4.511 4.207 4.823 1.00 0.18 C ATOM 140 C ILE A 10 -4.603 4.666 6.275 1.00 0.19 C ATOM 141 O ILE A 10 -5.691 4.951 6.775 1.00 0.22 O ATOM 142 CB ILE A 10 -4.623 5.445 3.906 1.00 0.19 C ATOM 143 CG1 ILE A 10 -4.745 5.022 2.441 1.00 0.20 C ATOM 144 CG2 ILE A 10 -3.419 6.358 4.094 1.00 0.21 C ATOM 145 CD1 ILE A 10 -3.568 4.219 1.938 1.00 0.23 C ATOM 0 H ILE A 10 -6.296 3.568 3.933 1.00 0.17 H new ATOM 0 HA ILE A 10 -3.551 3.721 4.650 1.00 0.18 H new ATOM 0 HB ILE A 10 -5.523 5.994 4.182 1.00 0.19 H new ATOM 0 HG12 ILE A 10 -5.654 4.433 2.317 1.00 0.20 H new ATOM 0 HG13 ILE A 10 -4.856 5.913 1.823 1.00 0.20 H new ATOM 0 HG21 ILE A 10 -3.514 7.225 3.440 1.00 0.21 H new ATOM 0 HG22 ILE A 10 -3.372 6.689 5.131 1.00 0.21 H new ATOM 0 HG23 ILE A 10 -2.508 5.814 3.845 1.00 0.21 H new ATOM 0 HD11 ILE A 10 -3.727 3.956 0.892 1.00 0.23 H new ATOM 0 HD12 ILE A 10 -2.658 4.812 2.029 1.00 0.23 H new ATOM 0 HD13 ILE A 10 -3.469 3.309 2.530 1.00 0.23 H new ATOM 157 N GLN A 11 -3.462 4.725 6.951 1.00 0.21 N ATOM 158 CA GLN A 11 -3.410 5.223 8.316 1.00 0.26 C ATOM 159 C GLN A 11 -3.141 6.719 8.326 1.00 0.26 C ATOM 160 O GLN A 11 -3.880 7.481 8.938 1.00 0.32 O ATOM 161 CB GLN A 11 -2.324 4.503 9.116 1.00 0.34 C ATOM 162 CG GLN A 11 -2.605 3.028 9.338 1.00 0.62 C ATOM 163 CD GLN A 11 -3.778 2.789 10.266 1.00 0.60 C ATOM 164 OE1 GLN A 11 -4.476 1.686 10.065 1.00 1.13 O flip ATOM 165 NE2 GLN A 11 -4.052 3.587 11.162 1.00 0.52 N flip ATOM 0 H GLN A 11 -2.560 4.433 6.574 1.00 0.21 H new ATOM 0 HA GLN A 11 -4.377 5.029 8.780 1.00 0.26 H new ATOM 0 HB2 GLN A 11 -1.372 4.608 8.595 1.00 0.34 H new ATOM 0 HB3 GLN A 11 -2.214 4.992 10.084 1.00 0.34 H new ATOM 0 HG2 GLN A 11 -2.804 2.552 8.378 1.00 0.62 H new ATOM 0 HG3 GLN A 11 -1.716 2.551 9.752 1.00 0.62 H new ATOM 0 HE21 GLN A 11 -3.489 4.428 11.286 1.00 0.52 H new ATOM 0 HE22 GLN A 11 -4.842 3.407 11.781 1.00 0.52 H new ATOM 174 N SER A 12 -2.077 7.130 7.642 1.00 0.24 N ATOM 175 CA SER A 12 -1.680 8.531 7.586 1.00 0.26 C ATOM 176 C SER A 12 -0.673 8.739 6.465 1.00 0.24 C ATOM 177 O SER A 12 0.284 7.975 6.349 1.00 0.31 O ATOM 178 CB SER A 12 -1.057 8.977 8.916 1.00 0.33 C ATOM 179 OG SER A 12 -1.994 8.910 9.980 1.00 0.75 O ATOM 0 H SER A 12 -1.469 6.504 7.114 1.00 0.24 H new ATOM 0 HA SER A 12 -2.571 9.129 7.398 1.00 0.26 H new ATOM 0 HB2 SER A 12 -0.199 8.346 9.146 1.00 0.33 H new ATOM 0 HB3 SER A 12 -0.686 9.998 8.821 1.00 0.33 H new ATOM 0 HG SER A 12 -2.862 8.615 9.634 1.00 0.75 H new ATOM 185 N ILE A 13 -0.896 9.751 5.636 1.00 0.28 N ATOM 186 CA ILE A 13 0.039 10.073 4.569 1.00 0.30 C ATOM 187 C ILE A 13 1.008 11.156 5.009 1.00 0.36 C ATOM 188 O ILE A 13 0.603 12.233 5.448 1.00 0.44 O ATOM 189 CB ILE A 13 -0.684 10.520 3.281 1.00 0.41 C ATOM 190 CG1 ILE A 13 -1.485 9.356 2.710 1.00 0.47 C ATOM 191 CG2 ILE A 13 0.309 11.042 2.250 1.00 0.49 C ATOM 192 CD1 ILE A 13 -2.250 9.701 1.451 1.00 0.77 C ATOM 0 H ILE A 13 -1.713 10.360 5.683 1.00 0.28 H new ATOM 0 HA ILE A 13 0.592 9.160 4.349 1.00 0.30 H new ATOM 0 HB ILE A 13 -1.365 11.334 3.529 1.00 0.41 H new ATOM 0 HG12 ILE A 13 -0.806 8.530 2.497 1.00 0.47 H new ATOM 0 HG13 ILE A 13 -2.187 9.005 3.466 1.00 0.47 H new ATOM 0 HG21 ILE A 13 -0.227 11.350 1.352 1.00 0.49 H new ATOM 0 HG22 ILE A 13 0.847 11.896 2.663 1.00 0.49 H new ATOM 0 HG23 ILE A 13 1.018 10.254 1.997 1.00 0.49 H new ATOM 0 HD11 ILE A 13 -2.795 8.823 1.104 1.00 0.77 H new ATOM 0 HD12 ILE A 13 -2.954 10.506 1.662 1.00 0.77 H new ATOM 0 HD13 ILE A 13 -1.552 10.023 0.678 1.00 0.77 H new ATOM 204 N GLY A 14 2.285 10.846 4.900 1.00 0.44 N ATOM 205 CA GLY A 14 3.321 11.792 5.251 1.00 0.60 C ATOM 206 C GLY A 14 3.841 12.523 4.035 1.00 0.77 C ATOM 207 O GLY A 14 3.173 12.570 3.003 1.00 1.06 O ATOM 0 H GLY A 14 2.629 9.944 4.570 1.00 0.44 H new ATOM 0 HA2 GLY A 14 2.929 12.512 5.969 1.00 0.60 H new ATOM 0 HA3 GLY A 14 4.142 11.268 5.740 1.00 0.60 H new ATOM 211 N GLU A 15 5.033 13.087 4.148 1.00 0.88 N ATOM 212 CA GLU A 15 5.618 13.840 3.046 1.00 1.05 C ATOM 213 C GLU A 15 6.226 12.891 2.021 1.00 0.84 C ATOM 214 O GLU A 15 6.089 13.086 0.816 1.00 1.00 O ATOM 215 CB GLU A 15 6.682 14.814 3.561 1.00 1.34 C ATOM 216 CG GLU A 15 6.215 15.676 4.729 1.00 1.90 C ATOM 217 CD GLU A 15 4.890 16.366 4.471 1.00 2.12 C ATOM 218 OE1 GLU A 15 4.889 17.433 3.817 1.00 2.51 O ATOM 219 OE2 GLU A 15 3.843 15.846 4.905 1.00 2.50 O ATOM 0 H GLU A 15 5.613 13.039 4.986 1.00 0.88 H new ATOM 0 HA GLU A 15 4.827 14.416 2.566 1.00 1.05 H new ATOM 0 HB2 GLU A 15 7.561 14.248 3.869 1.00 1.34 H new ATOM 0 HB3 GLU A 15 6.992 15.464 2.743 1.00 1.34 H new ATOM 0 HG2 GLU A 15 6.125 15.053 5.619 1.00 1.90 H new ATOM 0 HG3 GLU A 15 6.974 16.429 4.942 1.00 1.90 H new ATOM 226 N ARG A 16 6.883 11.848 2.515 1.00 0.60 N ATOM 227 CA ARG A 16 7.542 10.876 1.642 1.00 0.53 C ATOM 228 C ARG A 16 7.334 9.448 2.132 1.00 0.38 C ATOM 229 O ARG A 16 7.944 8.511 1.620 1.00 0.41 O ATOM 230 CB ARG A 16 9.041 11.187 1.499 1.00 0.67 C ATOM 231 CG ARG A 16 9.692 11.825 2.725 1.00 0.91 C ATOM 232 CD ARG A 16 9.743 10.890 3.927 1.00 1.39 C ATOM 233 NE ARG A 16 10.409 11.522 5.066 1.00 2.20 N ATOM 234 CZ ARG A 16 10.265 11.137 6.335 1.00 2.95 C ATOM 235 NH1 ARG A 16 9.494 10.102 6.644 1.00 3.02 N ATOM 236 NH2 ARG A 16 10.901 11.800 7.292 1.00 3.93 N ATOM 0 H ARG A 16 6.975 11.651 3.512 1.00 0.60 H new ATOM 0 HA ARG A 16 7.079 10.960 0.659 1.00 0.53 H new ATOM 0 HB2 ARG A 16 9.568 10.261 1.268 1.00 0.67 H new ATOM 0 HB3 ARG A 16 9.178 11.853 0.647 1.00 0.67 H new ATOM 0 HG2 ARG A 16 10.705 12.136 2.471 1.00 0.91 H new ATOM 0 HG3 ARG A 16 9.140 12.725 2.995 1.00 0.91 H new ATOM 0 HD2 ARG A 16 8.730 10.602 4.209 1.00 1.39 H new ATOM 0 HD3 ARG A 16 10.271 9.975 3.656 1.00 1.39 H new ATOM 0 HE ARG A 16 11.026 12.312 4.877 1.00 2.20 H new ATOM 0 HH11 ARG A 16 9.005 9.593 5.908 1.00 3.02 H new ATOM 0 HH12 ARG A 16 9.391 9.816 7.618 1.00 3.02 H new ATOM 0 HH21 ARG A 16 11.493 12.596 7.054 1.00 3.93 H new ATOM 0 HH22 ARG A 16 10.798 11.514 8.266 1.00 3.93 H new ATOM 250 N SER A 17 6.467 9.288 3.119 1.00 0.33 N ATOM 251 CA SER A 17 6.131 7.972 3.637 1.00 0.37 C ATOM 252 C SER A 17 4.763 7.991 4.288 1.00 0.39 C ATOM 253 O SER A 17 4.359 9.000 4.862 1.00 0.54 O ATOM 254 CB SER A 17 7.187 7.503 4.634 1.00 0.47 C ATOM 255 OG SER A 17 7.620 8.576 5.453 1.00 0.94 O ATOM 0 H SER A 17 5.981 10.058 3.579 1.00 0.33 H new ATOM 0 HA SER A 17 6.108 7.271 2.803 1.00 0.37 H new ATOM 0 HB2 SER A 17 6.778 6.707 5.256 1.00 0.47 H new ATOM 0 HB3 SER A 17 8.038 7.083 4.098 1.00 0.47 H new ATOM 0 HG SER A 17 6.864 9.171 5.640 1.00 0.94 H new ATOM 261 N LEU A 18 4.051 6.886 4.189 1.00 0.35 N ATOM 262 CA LEU A 18 2.726 6.771 4.780 1.00 0.35 C ATOM 263 C LEU A 18 2.509 5.393 5.349 1.00 0.26 C ATOM 264 O LEU A 18 2.972 4.405 4.798 1.00 0.30 O ATOM 265 CB LEU A 18 1.605 7.076 3.780 1.00 0.46 C ATOM 266 CG LEU A 18 1.843 6.636 2.330 1.00 0.45 C ATOM 267 CD1 LEU A 18 0.515 6.455 1.611 1.00 1.03 C ATOM 268 CD2 LEU A 18 2.697 7.654 1.586 1.00 0.78 C ATOM 0 H LEU A 18 4.368 6.048 3.702 1.00 0.35 H new ATOM 0 HA LEU A 18 2.685 7.515 5.576 1.00 0.35 H new ATOM 0 HB2 LEU A 18 0.692 6.599 4.136 1.00 0.46 H new ATOM 0 HB3 LEU A 18 1.426 8.151 3.785 1.00 0.46 H new ATOM 0 HG LEU A 18 2.375 5.685 2.348 1.00 0.45 H new ATOM 0 HD11 LEU A 18 0.698 6.143 0.583 1.00 1.03 H new ATOM 0 HD12 LEU A 18 -0.075 5.694 2.122 1.00 1.03 H new ATOM 0 HD13 LEU A 18 -0.031 7.398 1.612 1.00 1.03 H new ATOM 0 HD21 LEU A 18 2.851 7.319 0.560 1.00 0.78 H new ATOM 0 HD22 LEU A 18 2.190 8.619 1.580 1.00 0.78 H new ATOM 0 HD23 LEU A 18 3.661 7.753 2.084 1.00 0.78 H new ATOM 280 N ILE A 19 1.781 5.336 6.439 1.00 0.20 N ATOM 281 CA ILE A 19 1.493 4.067 7.083 1.00 0.19 C ATOM 282 C ILE A 19 0.195 3.512 6.529 1.00 0.17 C ATOM 283 O ILE A 19 -0.814 4.216 6.476 1.00 0.19 O ATOM 284 CB ILE A 19 1.377 4.203 8.616 1.00 0.22 C ATOM 285 CG1 ILE A 19 2.494 5.100 9.158 1.00 0.28 C ATOM 286 CG2 ILE A 19 1.436 2.825 9.270 1.00 0.28 C ATOM 287 CD1 ILE A 19 2.420 5.337 10.653 1.00 0.56 C ATOM 0 H ILE A 19 1.376 6.150 6.901 1.00 0.20 H new ATOM 0 HA ILE A 19 2.323 3.392 6.874 1.00 0.19 H new ATOM 0 HB ILE A 19 0.419 4.664 8.856 1.00 0.22 H new ATOM 0 HG12 ILE A 19 3.457 4.649 8.919 1.00 0.28 H new ATOM 0 HG13 ILE A 19 2.456 6.061 8.645 1.00 0.28 H new ATOM 0 HG21 ILE A 19 1.353 2.932 10.352 1.00 0.28 H new ATOM 0 HG22 ILE A 19 0.613 2.212 8.902 1.00 0.28 H new ATOM 0 HG23 ILE A 19 2.384 2.346 9.024 1.00 0.28 H new ATOM 0 HD11 ILE A 19 3.244 5.981 10.961 1.00 0.56 H new ATOM 0 HD12 ILE A 19 1.473 5.817 10.899 1.00 0.56 H new ATOM 0 HD13 ILE A 19 2.490 4.383 11.176 1.00 0.56 H new ATOM 299 N ILE A 20 0.223 2.270 6.092 1.00 0.15 N ATOM 300 CA ILE A 20 -0.952 1.647 5.516 1.00 0.15 C ATOM 301 C ILE A 20 -1.235 0.313 6.189 1.00 0.15 C ATOM 302 O ILE A 20 -0.369 -0.567 6.244 1.00 0.16 O ATOM 303 CB ILE A 20 -0.790 1.417 3.996 1.00 0.17 C ATOM 304 CG1 ILE A 20 -0.429 2.724 3.282 1.00 0.20 C ATOM 305 CG2 ILE A 20 -2.069 0.829 3.413 1.00 0.20 C ATOM 306 CD1 ILE A 20 -0.188 2.563 1.796 1.00 0.21 C ATOM 0 H ILE A 20 1.048 1.671 6.125 1.00 0.15 H new ATOM 0 HA ILE A 20 -1.786 2.329 5.680 1.00 0.15 H new ATOM 0 HB ILE A 20 0.024 0.709 3.841 1.00 0.17 H new ATOM 0 HG12 ILE A 20 -1.233 3.444 3.434 1.00 0.20 H new ATOM 0 HG13 ILE A 20 0.466 3.143 3.742 1.00 0.20 H new ATOM 0 HG21 ILE A 20 -1.942 0.672 2.342 1.00 0.20 H new ATOM 0 HG22 ILE A 20 -2.285 -0.124 3.897 1.00 0.20 H new ATOM 0 HG23 ILE A 20 -2.897 1.518 3.583 1.00 0.20 H new ATOM 0 HD11 ILE A 20 0.062 3.531 1.361 1.00 0.21 H new ATOM 0 HD12 ILE A 20 0.636 1.868 1.634 1.00 0.21 H new ATOM 0 HD13 ILE A 20 -1.089 2.174 1.321 1.00 0.21 H new ATOM 318 N ALA A 21 -2.443 0.163 6.704 1.00 0.17 N ATOM 319 CA ALA A 21 -2.872 -1.111 7.241 1.00 0.18 C ATOM 320 C ALA A 21 -3.387 -1.968 6.107 1.00 0.17 C ATOM 321 O ALA A 21 -4.571 -1.925 5.761 1.00 0.20 O ATOM 322 CB ALA A 21 -3.948 -0.936 8.297 1.00 0.22 C ATOM 0 H ALA A 21 -3.140 0.906 6.760 1.00 0.17 H new ATOM 0 HA ALA A 21 -2.021 -1.595 7.721 1.00 0.18 H new ATOM 0 HB1 ALA A 21 -4.246 -1.913 8.678 1.00 0.22 H new ATOM 0 HB2 ALA A 21 -3.559 -0.330 9.116 1.00 0.22 H new ATOM 0 HB3 ALA A 21 -4.812 -0.439 7.857 1.00 0.22 H new ATOM 328 N HIS A 22 -2.490 -2.721 5.510 1.00 0.17 N ATOM 329 CA HIS A 22 -2.831 -3.532 4.359 1.00 0.19 C ATOM 330 C HIS A 22 -3.281 -4.915 4.789 1.00 0.21 C ATOM 331 O HIS A 22 -2.881 -5.412 5.842 1.00 0.21 O ATOM 332 CB HIS A 22 -1.641 -3.643 3.398 1.00 0.22 C ATOM 333 CG HIS A 22 -0.415 -4.247 4.015 1.00 0.21 C ATOM 334 ND1 HIS A 22 -0.289 -5.595 4.286 1.00 0.24 N ATOM 335 CD2 HIS A 22 0.744 -3.677 4.416 1.00 0.24 C ATOM 336 CE1 HIS A 22 0.893 -5.824 4.822 1.00 0.27 C ATOM 337 NE2 HIS A 22 1.540 -4.678 4.912 1.00 0.27 N ATOM 0 H HIS A 22 -1.515 -2.790 5.803 1.00 0.17 H new ATOM 0 HA HIS A 22 -3.655 -3.043 3.839 1.00 0.19 H new ATOM 0 HB2 HIS A 22 -1.936 -4.244 2.538 1.00 0.22 H new ATOM 0 HB3 HIS A 22 -1.395 -2.649 3.024 1.00 0.22 H new ATOM 0 HD1 HIS A 22 -1.000 -6.303 4.100 1.00 0.24 H new ATOM 0 HD2 HIS A 22 0.996 -2.628 4.357 1.00 0.24 H new ATOM 0 HE1 HIS A 22 1.268 -6.787 5.135 1.00 0.27 H new ATOM 346 N GLU A 23 -4.097 -5.528 3.953 1.00 0.26 N ATOM 347 CA GLU A 23 -4.566 -6.883 4.175 1.00 0.31 C ATOM 348 C GLU A 23 -3.420 -7.888 4.022 1.00 0.33 C ATOM 349 O GLU A 23 -2.244 -7.506 3.999 1.00 0.32 O ATOM 350 CB GLU A 23 -5.706 -7.194 3.203 1.00 0.42 C ATOM 351 CG GLU A 23 -6.954 -6.362 3.464 1.00 1.27 C ATOM 352 CD GLU A 23 -8.040 -6.566 2.424 1.00 2.11 C ATOM 353 OE1 GLU A 23 -8.513 -7.712 2.272 1.00 2.23 O ATOM 354 OE2 GLU A 23 -8.403 -5.594 1.728 1.00 3.05 O ATOM 0 H GLU A 23 -4.454 -5.100 3.099 1.00 0.26 H new ATOM 0 HA GLU A 23 -4.941 -6.969 5.195 1.00 0.31 H new ATOM 0 HB2 GLU A 23 -5.365 -7.017 2.183 1.00 0.42 H new ATOM 0 HB3 GLU A 23 -5.959 -8.252 3.275 1.00 0.42 H new ATOM 0 HG2 GLU A 23 -7.351 -6.614 4.448 1.00 1.27 H new ATOM 0 HG3 GLU A 23 -6.680 -5.307 3.491 1.00 1.27 H new ATOM 361 N ALA A 24 -3.771 -9.163 3.921 1.00 0.41 N ATOM 362 CA ALA A 24 -2.794 -10.251 3.922 1.00 0.49 C ATOM 363 C ALA A 24 -1.680 -10.060 2.902 1.00 0.67 C ATOM 364 O ALA A 24 -0.506 -10.131 3.250 1.00 1.50 O ATOM 365 CB ALA A 24 -3.493 -11.577 3.689 1.00 0.56 C ATOM 0 H ALA A 24 -4.738 -9.475 3.836 1.00 0.41 H new ATOM 0 HA ALA A 24 -2.321 -10.245 4.904 1.00 0.49 H new ATOM 0 HB1 ALA A 24 -2.757 -12.381 3.691 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -4.221 -11.749 4.482 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -4.003 -11.555 2.726 1.00 0.56 H new ATOM 371 N ILE A 25 -2.061 -9.790 1.666 1.00 0.48 N ATOM 372 CA ILE A 25 -1.117 -9.699 0.547 1.00 0.48 C ATOM 373 C ILE A 25 -0.662 -11.089 0.115 1.00 0.58 C ATOM 374 O ILE A 25 0.317 -11.629 0.637 1.00 0.63 O ATOM 375 CB ILE A 25 0.136 -8.848 0.869 1.00 0.41 C ATOM 376 CG1 ILE A 25 -0.259 -7.442 1.314 1.00 0.35 C ATOM 377 CG2 ILE A 25 1.061 -8.782 -0.340 1.00 0.47 C ATOM 378 CD1 ILE A 25 0.925 -6.511 1.482 1.00 0.58 C ATOM 0 H ILE A 25 -3.032 -9.626 1.401 1.00 0.48 H new ATOM 0 HA ILE A 25 -1.660 -9.203 -0.258 1.00 0.48 H new ATOM 0 HB ILE A 25 0.669 -9.328 1.690 1.00 0.41 H new ATOM 0 HG12 ILE A 25 -0.946 -7.016 0.582 1.00 0.35 H new ATOM 0 HG13 ILE A 25 -0.799 -7.506 2.259 1.00 0.35 H new ATOM 0 HG21 ILE A 25 1.936 -8.180 -0.096 1.00 0.47 H new ATOM 0 HG22 ILE A 25 1.377 -9.789 -0.611 1.00 0.47 H new ATOM 0 HG23 ILE A 25 0.532 -8.330 -1.179 1.00 0.47 H new ATOM 0 HD11 ILE A 25 0.574 -5.529 1.799 1.00 0.58 H new ATOM 0 HD12 ILE A 25 1.602 -6.915 2.235 1.00 0.58 H new ATOM 0 HD13 ILE A 25 1.452 -6.418 0.533 1.00 0.58 H new ATOM 390 N PRO A 26 -1.366 -11.690 -0.855 1.00 0.66 N ATOM 391 CA PRO A 26 -1.030 -13.023 -1.355 1.00 0.77 C ATOM 392 C PRO A 26 0.181 -13.000 -2.283 1.00 0.80 C ATOM 393 O PRO A 26 0.609 -14.036 -2.792 1.00 0.96 O ATOM 394 CB PRO A 26 -2.287 -13.437 -2.118 1.00 0.87 C ATOM 395 CG PRO A 26 -2.890 -12.154 -2.580 1.00 0.97 C ATOM 396 CD PRO A 26 -2.551 -11.125 -1.534 1.00 0.70 C ATOM 0 HA PRO A 26 -0.759 -13.709 -0.553 1.00 0.77 H new ATOM 0 HB2 PRO A 26 -2.044 -14.086 -2.959 1.00 0.87 H new ATOM 0 HB3 PRO A 26 -2.975 -13.990 -1.478 1.00 0.87 H new ATOM 0 HG2 PRO A 26 -2.491 -11.865 -3.553 1.00 0.97 H new ATOM 0 HG3 PRO A 26 -3.970 -12.251 -2.694 1.00 0.97 H new ATOM 0 HD2 PRO A 26 -2.331 -10.156 -1.982 1.00 0.70 H new ATOM 0 HD3 PRO A 26 -3.377 -10.974 -0.839 1.00 0.70 H new ATOM 404 N SER A 27 0.723 -11.811 -2.498 1.00 0.72 N ATOM 405 CA SER A 27 1.907 -11.645 -3.321 1.00 0.74 C ATOM 406 C SER A 27 3.176 -11.795 -2.481 1.00 0.73 C ATOM 407 O SER A 27 4.253 -12.067 -3.006 1.00 0.80 O ATOM 408 CB SER A 27 1.890 -10.268 -3.987 1.00 0.73 C ATOM 409 OG SER A 27 0.664 -10.031 -4.661 1.00 1.10 O ATOM 0 H SER A 27 0.357 -10.942 -2.110 1.00 0.72 H new ATOM 0 HA SER A 27 1.904 -12.420 -4.088 1.00 0.74 H new ATOM 0 HB2 SER A 27 2.047 -9.496 -3.233 1.00 0.73 H new ATOM 0 HB3 SER A 27 2.716 -10.195 -4.695 1.00 0.73 H new ATOM 0 HG SER A 27 0.838 -9.877 -5.613 1.00 1.10 H new ATOM 415 N ALA A 28 3.046 -11.614 -1.172 1.00 0.69 N ATOM 416 CA ALA A 28 4.206 -11.663 -0.288 1.00 0.74 C ATOM 417 C ALA A 28 4.041 -12.717 0.800 1.00 0.79 C ATOM 418 O ALA A 28 4.944 -12.921 1.609 1.00 0.89 O ATOM 419 CB ALA A 28 4.450 -10.297 0.329 1.00 0.72 C ATOM 0 H ALA A 28 2.159 -11.434 -0.702 1.00 0.69 H new ATOM 0 HA ALA A 28 5.072 -11.944 -0.888 1.00 0.74 H new ATOM 0 HB1 ALA A 28 5.318 -10.345 0.987 1.00 0.72 H new ATOM 0 HB2 ALA A 28 4.633 -9.568 -0.461 1.00 0.72 H new ATOM 0 HB3 ALA A 28 3.575 -9.996 0.904 1.00 0.72 H new ATOM 425 N GLN A 29 2.885 -13.377 0.807 1.00 0.77 N ATOM 426 CA GLN A 29 2.584 -14.425 1.786 1.00 0.82 C ATOM 427 C GLN A 29 2.483 -13.853 3.198 1.00 0.81 C ATOM 428 O GLN A 29 2.667 -14.568 4.184 1.00 0.96 O ATOM 429 CB GLN A 29 3.632 -15.547 1.754 1.00 0.99 C ATOM 430 CG GLN A 29 3.496 -16.517 0.586 1.00 1.21 C ATOM 431 CD GLN A 29 3.726 -15.873 -0.766 1.00 1.37 C ATOM 432 OE1 GLN A 29 4.859 -15.776 -1.232 1.00 2.21 O ATOM 433 NE2 GLN A 29 2.655 -15.450 -1.416 1.00 1.29 N ATOM 0 H GLN A 29 2.133 -13.204 0.140 1.00 0.77 H new ATOM 0 HA GLN A 29 1.618 -14.847 1.509 1.00 0.82 H new ATOM 0 HB2 GLN A 29 4.624 -15.097 1.720 1.00 0.99 H new ATOM 0 HB3 GLN A 29 3.569 -16.110 2.685 1.00 0.99 H new ATOM 0 HG2 GLN A 29 4.208 -17.332 0.717 1.00 1.21 H new ATOM 0 HG3 GLN A 29 2.499 -16.958 0.605 1.00 1.21 H new ATOM 0 HE21 GLN A 29 1.731 -15.548 -0.995 1.00 1.29 H new ATOM 0 HE22 GLN A 29 2.753 -15.025 -2.338 1.00 1.29 H new ATOM 442 N TRP A 30 2.152 -12.573 3.289 1.00 0.70 N ATOM 443 CA TRP A 30 2.015 -11.916 4.581 1.00 0.73 C ATOM 444 C TRP A 30 0.623 -12.174 5.146 1.00 0.73 C ATOM 445 O TRP A 30 -0.235 -12.742 4.466 1.00 1.02 O ATOM 446 CB TRP A 30 2.285 -10.408 4.472 1.00 0.70 C ATOM 447 CG TRP A 30 3.717 -10.062 4.181 1.00 0.74 C ATOM 448 CD1 TRP A 30 4.780 -10.918 4.141 1.00 0.95 C ATOM 449 CD2 TRP A 30 4.241 -8.756 3.901 1.00 0.65 C ATOM 450 NE1 TRP A 30 5.931 -10.226 3.844 1.00 0.94 N ATOM 451 CE2 TRP A 30 5.627 -8.900 3.693 1.00 0.75 C ATOM 452 CE3 TRP A 30 3.677 -7.483 3.799 1.00 0.64 C ATOM 453 CZ2 TRP A 30 6.451 -7.820 3.394 1.00 0.74 C ATOM 454 CZ3 TRP A 30 4.498 -6.410 3.505 1.00 0.72 C ATOM 455 CH2 TRP A 30 5.871 -6.585 3.302 1.00 0.72 C ATOM 0 H TRP A 30 1.974 -11.970 2.486 1.00 0.70 H new ATOM 0 HA TRP A 30 2.758 -12.334 5.260 1.00 0.73 H new ATOM 0 HB2 TRP A 30 1.655 -9.993 3.686 1.00 0.70 H new ATOM 0 HB3 TRP A 30 1.989 -9.928 5.405 1.00 0.70 H new ATOM 0 HD1 TRP A 30 4.725 -11.982 4.317 1.00 0.95 H new ATOM 0 HE1 TRP A 30 6.861 -10.635 3.751 1.00 0.94 H new ATOM 0 HE3 TRP A 30 2.617 -7.339 3.947 1.00 0.64 H new ATOM 0 HZ2 TRP A 30 7.512 -7.952 3.240 1.00 0.74 H new ATOM 0 HZ3 TRP A 30 4.072 -5.420 3.431 1.00 0.72 H new ATOM 0 HH2 TRP A 30 6.485 -5.728 3.068 1.00 0.72 H new ATOM 466 N GLY A 31 0.408 -11.772 6.388 1.00 0.62 N ATOM 467 CA GLY A 31 -0.858 -12.036 7.042 1.00 0.71 C ATOM 468 C GLY A 31 -1.495 -10.793 7.628 1.00 0.78 C ATOM 469 O GLY A 31 -1.978 -10.824 8.759 1.00 1.67 O ATOM 0 H GLY A 31 1.088 -11.267 6.957 1.00 0.62 H new ATOM 0 HA2 GLY A 31 -1.544 -12.485 6.324 1.00 0.71 H new ATOM 0 HA3 GLY A 31 -0.705 -12.767 7.836 1.00 0.71 H new ATOM 473 N ALA A 32 -1.488 -9.705 6.851 1.00 0.52 N ATOM 474 CA ALA A 32 -2.110 -8.432 7.245 1.00 0.41 C ATOM 475 C ALA A 32 -1.329 -7.744 8.362 1.00 0.42 C ATOM 476 O ALA A 32 -1.081 -8.325 9.417 1.00 0.57 O ATOM 477 CB ALA A 32 -3.572 -8.626 7.645 1.00 0.44 C ATOM 0 H ALA A 32 -1.051 -9.680 5.930 1.00 0.52 H new ATOM 0 HA ALA A 32 -2.083 -7.780 6.372 1.00 0.41 H new ATOM 0 HB1 ALA A 32 -4.002 -7.666 7.931 1.00 0.44 H new ATOM 0 HB2 ALA A 32 -4.128 -9.036 6.802 1.00 0.44 H new ATOM 0 HB3 ALA A 32 -3.630 -9.315 8.488 1.00 0.44 H new ATOM 483 N MET A 33 -0.947 -6.496 8.121 1.00 0.33 N ATOM 484 CA MET A 33 -0.139 -5.745 9.075 1.00 0.32 C ATOM 485 C MET A 33 -0.087 -4.272 8.700 1.00 0.27 C ATOM 486 O MET A 33 -0.092 -3.916 7.519 1.00 0.26 O ATOM 487 CB MET A 33 1.282 -6.320 9.158 1.00 0.39 C ATOM 488 CG MET A 33 1.992 -6.390 7.817 1.00 0.49 C ATOM 489 SD MET A 33 3.650 -7.089 7.917 1.00 0.56 S ATOM 490 CE MET A 33 3.281 -8.768 8.426 1.00 0.84 C ATOM 0 H MET A 33 -1.184 -5.982 7.273 1.00 0.33 H new ATOM 0 HA MET A 33 -0.608 -5.836 10.054 1.00 0.32 H new ATOM 0 HB2 MET A 33 1.873 -5.708 9.840 1.00 0.39 H new ATOM 0 HB3 MET A 33 1.235 -7.321 9.587 1.00 0.39 H new ATOM 0 HG2 MET A 33 1.395 -6.989 7.129 1.00 0.49 H new ATOM 0 HG3 MET A 33 2.054 -5.387 7.395 1.00 0.49 H new ATOM 0 HE1 MET A 33 4.142 -9.406 8.227 1.00 0.84 H new ATOM 0 HE2 MET A 33 3.057 -8.784 9.493 1.00 0.84 H new ATOM 0 HE3 MET A 33 2.420 -9.136 7.869 1.00 0.84 H new ATOM 500 N THR A 34 -0.048 -3.428 9.715 1.00 0.28 N ATOM 501 CA THR A 34 0.039 -1.995 9.524 1.00 0.27 C ATOM 502 C THR A 34 1.497 -1.587 9.362 1.00 0.25 C ATOM 503 O THR A 34 2.261 -1.593 10.328 1.00 0.31 O ATOM 504 CB THR A 34 -0.582 -1.244 10.716 1.00 0.35 C ATOM 505 OG1 THR A 34 -1.892 -1.762 10.984 1.00 0.75 O ATOM 506 CG2 THR A 34 -0.672 0.246 10.437 1.00 0.46 C ATOM 0 H THR A 34 -0.076 -3.718 10.693 1.00 0.28 H new ATOM 0 HA THR A 34 -0.517 -1.732 8.624 1.00 0.27 H new ATOM 0 HB THR A 34 0.060 -1.393 11.585 1.00 0.35 H new ATOM 0 HG1 THR A 34 -2.284 -1.283 11.744 1.00 0.75 H new ATOM 0 HG21 THR A 34 -1.114 0.751 11.296 1.00 0.46 H new ATOM 0 HG22 THR A 34 0.327 0.643 10.257 1.00 0.46 H new ATOM 0 HG23 THR A 34 -1.293 0.415 9.557 1.00 0.46 H new ATOM 514 N MET A 35 1.883 -1.261 8.140 1.00 0.21 N ATOM 515 CA MET A 35 3.272 -0.939 7.840 1.00 0.24 C ATOM 516 C MET A 35 3.377 0.372 7.072 1.00 0.21 C ATOM 517 O MET A 35 2.472 0.731 6.320 1.00 0.29 O ATOM 518 CB MET A 35 3.903 -2.079 7.033 1.00 0.31 C ATOM 519 CG MET A 35 5.376 -1.874 6.711 1.00 1.05 C ATOM 520 SD MET A 35 6.212 -3.419 6.314 1.00 1.60 S ATOM 521 CE MET A 35 6.017 -4.272 7.877 1.00 1.45 C ATOM 0 H MET A 35 1.255 -1.212 7.338 1.00 0.21 H new ATOM 0 HA MET A 35 3.811 -0.820 8.780 1.00 0.24 H new ATOM 0 HB2 MET A 35 3.790 -3.009 7.590 1.00 0.31 H new ATOM 0 HB3 MET A 35 3.352 -2.197 6.100 1.00 0.31 H new ATOM 0 HG2 MET A 35 5.469 -1.187 5.870 1.00 1.05 H new ATOM 0 HG3 MET A 35 5.870 -1.405 7.562 1.00 1.05 H new ATOM 0 HE1 MET A 35 6.706 -5.116 7.919 1.00 1.45 H new ATOM 0 HE2 MET A 35 6.234 -3.586 8.696 1.00 1.45 H new ATOM 0 HE3 MET A 35 4.993 -4.634 7.969 1.00 1.45 H new ATOM 531 N GLU A 36 4.478 1.080 7.276 1.00 0.24 N ATOM 532 CA GLU A 36 4.727 2.331 6.580 1.00 0.26 C ATOM 533 C GLU A 36 5.372 2.060 5.222 1.00 0.25 C ATOM 534 O GLU A 36 6.278 1.233 5.103 1.00 0.34 O ATOM 535 CB GLU A 36 5.625 3.235 7.433 1.00 0.35 C ATOM 536 CG GLU A 36 5.933 4.577 6.793 1.00 0.46 C ATOM 537 CD GLU A 36 6.741 5.477 7.701 1.00 0.63 C ATOM 538 OE1 GLU A 36 7.977 5.310 7.759 1.00 1.00 O ATOM 539 OE2 GLU A 36 6.148 6.357 8.358 1.00 0.89 O ATOM 0 H GLU A 36 5.217 0.806 7.923 1.00 0.24 H new ATOM 0 HA GLU A 36 3.778 2.840 6.414 1.00 0.26 H new ATOM 0 HB2 GLU A 36 5.143 3.405 8.396 1.00 0.35 H new ATOM 0 HB3 GLU A 36 6.562 2.715 7.633 1.00 0.35 H new ATOM 0 HG2 GLU A 36 6.481 4.416 5.864 1.00 0.46 H new ATOM 0 HG3 GLU A 36 4.999 5.074 6.531 1.00 0.46 H new ATOM 546 N PHE A 37 4.886 2.745 4.203 1.00 0.21 N ATOM 547 CA PHE A 37 5.392 2.592 2.851 1.00 0.20 C ATOM 548 C PHE A 37 6.049 3.884 2.390 1.00 0.23 C ATOM 549 O PHE A 37 5.574 4.979 2.706 1.00 0.37 O ATOM 550 CB PHE A 37 4.259 2.211 1.891 1.00 0.24 C ATOM 551 CG PHE A 37 3.783 0.795 2.053 1.00 0.21 C ATOM 552 CD1 PHE A 37 3.036 0.420 3.158 1.00 0.26 C ATOM 553 CD2 PHE A 37 4.086 -0.163 1.100 1.00 0.28 C ATOM 554 CE1 PHE A 37 2.601 -0.882 3.309 1.00 0.25 C ATOM 555 CE2 PHE A 37 3.654 -1.468 1.246 1.00 0.31 C ATOM 556 CZ PHE A 37 2.911 -1.827 2.352 1.00 0.25 C ATOM 0 H PHE A 37 4.129 3.423 4.289 1.00 0.21 H new ATOM 0 HA PHE A 37 6.134 1.793 2.849 1.00 0.20 H new ATOM 0 HB2 PHE A 37 3.419 2.888 2.047 1.00 0.24 H new ATOM 0 HB3 PHE A 37 4.599 2.356 0.866 1.00 0.24 H new ATOM 0 HD1 PHE A 37 2.791 1.155 3.910 1.00 0.26 H new ATOM 0 HD2 PHE A 37 4.667 0.113 0.232 1.00 0.28 H new ATOM 0 HE1 PHE A 37 2.019 -1.160 4.175 1.00 0.25 H new ATOM 0 HE2 PHE A 37 3.898 -2.205 0.496 1.00 0.31 H new ATOM 0 HZ PHE A 37 2.573 -2.846 2.469 1.00 0.25 H new ATOM 566 N ALA A 38 7.138 3.754 1.653 1.00 0.19 N ATOM 567 CA ALA A 38 7.857 4.909 1.148 1.00 0.21 C ATOM 568 C ALA A 38 7.219 5.394 -0.140 1.00 0.24 C ATOM 569 O ALA A 38 6.922 4.601 -1.030 1.00 0.34 O ATOM 570 CB ALA A 38 9.321 4.566 0.927 1.00 0.28 C ATOM 0 H ALA A 38 7.545 2.856 1.390 1.00 0.19 H new ATOM 0 HA ALA A 38 7.803 5.710 1.886 1.00 0.21 H new ATOM 0 HB1 ALA A 38 9.847 5.442 0.548 1.00 0.28 H new ATOM 0 HB2 ALA A 38 9.768 4.254 1.871 1.00 0.28 H new ATOM 0 HB3 ALA A 38 9.399 3.755 0.203 1.00 0.28 H new ATOM 576 N ALA A 39 6.996 6.692 -0.223 1.00 0.26 N ATOM 577 CA ALA A 39 6.347 7.282 -1.381 1.00 0.35 C ATOM 578 C ALA A 39 7.373 7.784 -2.385 1.00 0.42 C ATOM 579 O ALA A 39 8.467 8.208 -2.007 1.00 0.56 O ATOM 580 CB ALA A 39 5.447 8.426 -0.949 1.00 0.60 C ATOM 0 H ALA A 39 7.256 7.362 0.501 1.00 0.26 H new ATOM 0 HA ALA A 39 5.745 6.511 -1.861 1.00 0.35 H new ATOM 0 HB1 ALA A 39 4.966 8.861 -1.825 1.00 0.60 H new ATOM 0 HB2 ALA A 39 4.686 8.052 -0.265 1.00 0.60 H new ATOM 0 HB3 ALA A 39 6.043 9.188 -0.447 1.00 0.60 H new ATOM 586 N PRO A 40 7.036 7.724 -3.680 1.00 0.60 N ATOM 587 CA PRO A 40 7.860 8.308 -4.736 1.00 0.90 C ATOM 588 C PRO A 40 7.987 9.821 -4.568 1.00 0.96 C ATOM 589 O PRO A 40 7.065 10.474 -4.070 1.00 0.80 O ATOM 590 CB PRO A 40 7.100 7.969 -6.028 1.00 1.10 C ATOM 591 CG PRO A 40 5.708 7.670 -5.590 1.00 1.00 C ATOM 592 CD PRO A 40 5.834 7.070 -4.220 1.00 0.71 C ATOM 0 HA PRO A 40 8.879 7.921 -4.728 1.00 0.90 H new ATOM 0 HB2 PRO A 40 7.122 8.803 -6.729 1.00 1.10 H new ATOM 0 HB3 PRO A 40 7.546 7.114 -6.535 1.00 1.10 H new ATOM 0 HG2 PRO A 40 5.102 8.576 -5.567 1.00 1.00 H new ATOM 0 HG3 PRO A 40 5.221 6.978 -6.277 1.00 1.00 H new ATOM 0 HD2 PRO A 40 4.955 7.273 -3.608 1.00 0.71 H new ATOM 0 HD3 PRO A 40 5.949 5.987 -4.263 1.00 0.71 H new ATOM 600 N PRO A 41 9.127 10.397 -4.989 1.00 1.32 N ATOM 601 CA PRO A 41 9.402 11.838 -4.854 1.00 1.56 C ATOM 602 C PRO A 41 8.354 12.719 -5.536 1.00 1.53 C ATOM 603 O PRO A 41 8.279 13.923 -5.278 1.00 1.74 O ATOM 604 CB PRO A 41 10.761 12.015 -5.538 1.00 1.94 C ATOM 605 CG PRO A 41 11.386 10.664 -5.509 1.00 2.05 C ATOM 606 CD PRO A 41 10.252 9.685 -5.619 1.00 1.62 C ATOM 0 HA PRO A 41 9.386 12.143 -3.808 1.00 1.56 H new ATOM 0 HB2 PRO A 41 10.644 12.374 -6.561 1.00 1.94 H new ATOM 0 HB3 PRO A 41 11.375 12.746 -5.012 1.00 1.94 H new ATOM 0 HG2 PRO A 41 12.090 10.541 -6.332 1.00 2.05 H new ATOM 0 HG3 PRO A 41 11.946 10.512 -4.586 1.00 2.05 H new ATOM 0 HD2 PRO A 41 10.038 9.433 -6.658 1.00 1.62 H new ATOM 0 HD3 PRO A 41 10.476 8.751 -5.104 1.00 1.62 H new ATOM 614 N ALA A 42 7.553 12.118 -6.408 1.00 1.33 N ATOM 615 CA ALA A 42 6.473 12.830 -7.078 1.00 1.29 C ATOM 616 C ALA A 42 5.356 13.187 -6.097 1.00 1.14 C ATOM 617 O ALA A 42 4.611 14.144 -6.316 1.00 1.25 O ATOM 618 CB ALA A 42 5.922 11.998 -8.225 1.00 1.28 C ATOM 0 H ALA A 42 7.632 11.135 -6.668 1.00 1.33 H new ATOM 0 HA ALA A 42 6.880 13.758 -7.479 1.00 1.29 H new ATOM 0 HB1 ALA A 42 5.116 12.543 -8.716 1.00 1.28 H new ATOM 0 HB2 ALA A 42 6.716 11.799 -8.945 1.00 1.28 H new ATOM 0 HB3 ALA A 42 5.538 11.054 -7.838 1.00 1.28 H new ATOM 624 N GLY A 43 5.247 12.419 -5.018 1.00 0.93 N ATOM 625 CA GLY A 43 4.235 12.680 -4.018 1.00 0.86 C ATOM 626 C GLY A 43 2.974 11.877 -4.249 1.00 0.66 C ATOM 627 O GLY A 43 2.814 11.235 -5.288 1.00 0.67 O ATOM 0 H GLY A 43 5.846 11.617 -4.820 1.00 0.93 H new ATOM 0 HA2 GLY A 43 4.635 12.447 -3.031 1.00 0.86 H new ATOM 0 HA3 GLY A 43 3.991 13.742 -4.021 1.00 0.86 H new ATOM 631 N LEU A 44 2.080 11.916 -3.279 1.00 0.62 N ATOM 632 CA LEU A 44 0.832 11.176 -3.348 1.00 0.50 C ATOM 633 C LEU A 44 -0.291 12.085 -3.828 1.00 0.54 C ATOM 634 O LEU A 44 -0.227 13.301 -3.648 1.00 0.61 O ATOM 635 CB LEU A 44 0.453 10.600 -1.970 1.00 0.59 C ATOM 636 CG LEU A 44 1.465 9.641 -1.326 1.00 0.63 C ATOM 637 CD1 LEU A 44 1.958 8.613 -2.333 1.00 0.97 C ATOM 638 CD2 LEU A 44 2.630 10.412 -0.715 1.00 0.87 C ATOM 0 H LEU A 44 2.197 12.459 -2.424 1.00 0.62 H new ATOM 0 HA LEU A 44 0.972 10.354 -4.051 1.00 0.50 H new ATOM 0 HB2 LEU A 44 0.289 11.432 -1.286 1.00 0.59 H new ATOM 0 HB3 LEU A 44 -0.498 10.076 -2.069 1.00 0.59 H new ATOM 0 HG LEU A 44 0.959 9.105 -0.523 1.00 0.63 H new ATOM 0 HD11 LEU A 44 2.673 7.946 -1.852 1.00 0.97 H new ATOM 0 HD12 LEU A 44 1.113 8.032 -2.703 1.00 0.97 H new ATOM 0 HD13 LEU A 44 2.441 9.123 -3.166 1.00 0.97 H new ATOM 0 HD21 LEU A 44 3.334 9.712 -0.265 1.00 0.87 H new ATOM 0 HD22 LEU A 44 3.135 10.985 -1.493 1.00 0.87 H new ATOM 0 HD23 LEU A 44 2.255 11.092 0.050 1.00 0.87 H new ATOM 650 N PRO A 45 -1.321 11.514 -4.466 1.00 0.54 N ATOM 651 CA PRO A 45 -2.539 12.236 -4.807 1.00 0.61 C ATOM 652 C PRO A 45 -3.488 12.301 -3.620 1.00 0.56 C ATOM 653 O PRO A 45 -3.107 12.010 -2.486 1.00 0.51 O ATOM 654 CB PRO A 45 -3.173 11.399 -5.927 1.00 0.69 C ATOM 655 CG PRO A 45 -2.288 10.205 -6.119 1.00 0.64 C ATOM 656 CD PRO A 45 -1.384 10.126 -4.918 1.00 0.54 C ATOM 0 HA PRO A 45 -2.332 13.265 -5.101 1.00 0.61 H new ATOM 0 HB2 PRO A 45 -4.184 11.093 -5.658 1.00 0.69 H new ATOM 0 HB3 PRO A 45 -3.249 11.977 -6.848 1.00 0.69 H new ATOM 0 HG2 PRO A 45 -2.882 9.296 -6.214 1.00 0.64 H new ATOM 0 HG3 PRO A 45 -1.704 10.301 -7.035 1.00 0.64 H new ATOM 0 HD2 PRO A 45 -1.790 9.469 -4.149 1.00 0.54 H new ATOM 0 HD3 PRO A 45 -0.398 9.741 -5.179 1.00 0.54 H new ATOM 664 N GLN A 46 -4.725 12.671 -3.886 1.00 0.62 N ATOM 665 CA GLN A 46 -5.752 12.675 -2.863 1.00 0.61 C ATOM 666 C GLN A 46 -6.834 11.677 -3.229 1.00 0.57 C ATOM 667 O GLN A 46 -6.786 11.062 -4.296 1.00 0.64 O ATOM 668 CB GLN A 46 -6.348 14.073 -2.670 1.00 0.79 C ATOM 669 CG GLN A 46 -5.337 15.100 -2.183 1.00 1.44 C ATOM 670 CD GLN A 46 -4.823 15.998 -3.294 1.00 1.70 C ATOM 671 OE1 GLN A 46 -4.929 15.537 -4.531 1.00 2.12 O flip ATOM 672 NE2 GLN A 46 -4.384 17.122 -3.042 1.00 1.82 N flip ATOM 0 H GLN A 46 -5.044 12.974 -4.806 1.00 0.62 H new ATOM 0 HA GLN A 46 -5.298 12.384 -1.916 1.00 0.61 H new ATOM 0 HB2 GLN A 46 -6.773 14.412 -3.615 1.00 0.79 H new ATOM 0 HB3 GLN A 46 -7.168 14.014 -1.955 1.00 0.79 H new ATOM 0 HG2 GLN A 46 -5.796 15.715 -1.409 1.00 1.44 H new ATOM 0 HG3 GLN A 46 -4.495 14.583 -1.722 1.00 1.44 H new ATOM 0 HE21 GLN A 46 -4.319 17.439 -2.075 1.00 1.82 H new ATOM 0 HE22 GLN A 46 -4.086 17.735 -3.801 1.00 1.82 H new ATOM 681 N GLY A 47 -7.803 11.507 -2.348 1.00 0.57 N ATOM 682 CA GLY A 47 -8.833 10.522 -2.578 1.00 0.60 C ATOM 683 C GLY A 47 -8.387 9.153 -2.108 1.00 0.55 C ATOM 684 O GLY A 47 -9.059 8.146 -2.335 1.00 0.63 O ATOM 0 H GLY A 47 -7.895 12.033 -1.479 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -9.743 10.812 -2.053 1.00 0.60 H new ATOM 0 HA3 GLY A 47 -9.076 10.485 -3.640 1.00 0.60 H new ATOM 688 N LEU A 48 -7.224 9.138 -1.471 1.00 0.47 N ATOM 689 CA LEU A 48 -6.603 7.933 -0.981 1.00 0.49 C ATOM 690 C LEU A 48 -5.819 8.231 0.297 1.00 0.38 C ATOM 691 O LEU A 48 -4.743 7.684 0.529 1.00 0.47 O ATOM 692 CB LEU A 48 -5.694 7.389 -2.082 1.00 0.64 C ATOM 693 CG LEU A 48 -4.856 8.428 -2.842 1.00 0.64 C ATOM 694 CD1 LEU A 48 -3.562 8.748 -2.108 1.00 0.59 C ATOM 695 CD2 LEU A 48 -4.565 7.938 -4.250 1.00 1.06 C ATOM 0 H LEU A 48 -6.683 9.982 -1.281 1.00 0.47 H new ATOM 0 HA LEU A 48 -7.355 7.184 -0.732 1.00 0.49 H new ATOM 0 HB2 LEU A 48 -5.016 6.660 -1.638 1.00 0.64 H new ATOM 0 HB3 LEU A 48 -6.311 6.853 -2.803 1.00 0.64 H new ATOM 0 HG LEU A 48 -5.436 9.349 -2.901 1.00 0.64 H new ATOM 0 HD11 LEU A 48 -2.995 9.486 -2.675 1.00 0.59 H new ATOM 0 HD12 LEU A 48 -3.793 9.148 -1.121 1.00 0.59 H new ATOM 0 HD13 LEU A 48 -2.970 7.839 -2.002 1.00 0.59 H new ATOM 0 HD21 LEU A 48 -3.970 8.683 -4.779 1.00 1.06 H new ATOM 0 HD22 LEU A 48 -4.012 7.000 -4.202 1.00 1.06 H new ATOM 0 HD23 LEU A 48 -5.503 7.779 -4.781 1.00 1.06 H new ATOM 707 N LYS A 49 -6.403 9.066 1.144 1.00 0.32 N ATOM 708 CA LYS A 49 -5.709 9.592 2.312 1.00 0.34 C ATOM 709 C LYS A 49 -6.041 8.787 3.566 1.00 0.29 C ATOM 710 O LYS A 49 -6.726 7.769 3.489 1.00 0.27 O ATOM 711 CB LYS A 49 -6.069 11.074 2.496 1.00 0.48 C ATOM 712 CG LYS A 49 -7.566 11.361 2.512 1.00 1.15 C ATOM 713 CD LYS A 49 -8.158 11.225 3.905 1.00 1.58 C ATOM 714 CE LYS A 49 -9.669 11.380 3.888 1.00 2.11 C ATOM 715 NZ LYS A 49 -10.350 10.192 3.309 1.00 3.00 N ATOM 0 H LYS A 49 -7.363 9.396 1.043 1.00 0.32 H new ATOM 0 HA LYS A 49 -4.635 9.504 2.151 1.00 0.34 H new ATOM 0 HB2 LYS A 49 -5.634 11.428 3.431 1.00 0.48 H new ATOM 0 HB3 LYS A 49 -5.610 11.649 1.692 1.00 0.48 H new ATOM 0 HG2 LYS A 49 -7.746 12.369 2.139 1.00 1.15 H new ATOM 0 HG3 LYS A 49 -8.074 10.675 1.834 1.00 1.15 H new ATOM 0 HD2 LYS A 49 -7.896 10.251 4.319 1.00 1.58 H new ATOM 0 HD3 LYS A 49 -7.722 11.978 4.561 1.00 1.58 H new ATOM 0 HE2 LYS A 49 -10.027 11.542 4.905 1.00 2.11 H new ATOM 0 HE3 LYS A 49 -9.935 12.266 3.311 1.00 2.11 H new ATOM 0 HZ1 LYS A 49 -11.053 10.502 2.608 1.00 3.00 H new ATOM 0 HZ2 LYS A 49 -9.647 9.580 2.848 1.00 3.00 H new ATOM 0 HZ3 LYS A 49 -10.827 9.662 4.066 1.00 3.00 H new ATOM 729 N ALA A 50 -5.531 9.240 4.711 1.00 0.31 N ATOM 730 CA ALA A 50 -5.771 8.584 5.996 1.00 0.30 C ATOM 731 C ALA A 50 -7.252 8.273 6.211 1.00 0.29 C ATOM 732 O ALA A 50 -8.073 9.180 6.358 1.00 0.35 O ATOM 733 CB ALA A 50 -5.255 9.469 7.117 1.00 0.37 C ATOM 0 H ALA A 50 -4.941 10.070 4.774 1.00 0.31 H new ATOM 0 HA ALA A 50 -5.237 7.634 5.996 1.00 0.30 H new ATOM 0 HB1 ALA A 50 -5.433 8.982 8.076 1.00 0.37 H new ATOM 0 HB2 ALA A 50 -4.186 9.635 6.987 1.00 0.37 H new ATOM 0 HB3 ALA A 50 -5.776 10.426 7.094 1.00 0.37 H new ATOM 739 N GLY A 51 -7.580 6.988 6.234 1.00 0.27 N ATOM 740 CA GLY A 51 -8.958 6.569 6.394 1.00 0.30 C ATOM 741 C GLY A 51 -9.486 5.861 5.164 1.00 0.29 C ATOM 742 O GLY A 51 -10.430 5.072 5.247 1.00 0.38 O ATOM 0 H GLY A 51 -6.911 6.224 6.144 1.00 0.27 H new ATOM 0 HA2 GLY A 51 -9.037 5.905 7.255 1.00 0.30 H new ATOM 0 HA3 GLY A 51 -9.579 7.440 6.605 1.00 0.30 H new ATOM 746 N ASP A 52 -8.874 6.142 4.020 1.00 0.24 N ATOM 747 CA ASP A 52 -9.273 5.532 2.759 1.00 0.25 C ATOM 748 C ASP A 52 -8.756 4.114 2.654 1.00 0.24 C ATOM 749 O ASP A 52 -7.706 3.782 3.191 1.00 0.28 O ATOM 750 CB ASP A 52 -8.752 6.332 1.561 1.00 0.28 C ATOM 751 CG ASP A 52 -9.593 7.551 1.244 1.00 0.38 C ATOM 752 OD1 ASP A 52 -10.701 7.392 0.688 1.00 0.53 O ATOM 753 OD2 ASP A 52 -9.153 8.675 1.557 1.00 0.48 O ATOM 0 H ASP A 52 -8.093 6.794 3.941 1.00 0.24 H new ATOM 0 HA ASP A 52 -10.363 5.528 2.743 1.00 0.25 H new ATOM 0 HB2 ASP A 52 -7.728 6.648 1.761 1.00 0.28 H new ATOM 0 HB3 ASP A 52 -8.720 5.683 0.686 1.00 0.28 H new ATOM 758 N ARG A 53 -9.502 3.279 1.967 1.00 0.27 N ATOM 759 CA ARG A 53 -9.067 1.937 1.673 1.00 0.31 C ATOM 760 C ARG A 53 -8.819 1.823 0.176 1.00 0.31 C ATOM 761 O ARG A 53 -9.736 1.956 -0.628 1.00 0.50 O ATOM 762 CB ARG A 53 -10.116 0.950 2.157 1.00 0.45 C ATOM 763 CG ARG A 53 -9.752 -0.504 1.945 1.00 0.75 C ATOM 764 CD ARG A 53 -10.740 -1.414 2.655 1.00 1.03 C ATOM 765 NE ARG A 53 -10.399 -2.833 2.532 1.00 1.87 N ATOM 766 CZ ARG A 53 -11.121 -3.817 3.074 1.00 2.33 C ATOM 767 NH1 ARG A 53 -12.233 -3.540 3.743 1.00 2.43 N ATOM 768 NH2 ARG A 53 -10.740 -5.077 2.936 1.00 3.26 N ATOM 0 H ARG A 53 -10.424 3.512 1.598 1.00 0.27 H new ATOM 0 HA ARG A 53 -8.136 1.705 2.191 1.00 0.31 H new ATOM 0 HB2 ARG A 53 -10.291 1.117 3.220 1.00 0.45 H new ATOM 0 HB3 ARG A 53 -11.055 1.155 1.643 1.00 0.45 H new ATOM 0 HG2 ARG A 53 -9.743 -0.730 0.879 1.00 0.75 H new ATOM 0 HG3 ARG A 53 -8.745 -0.690 2.319 1.00 0.75 H new ATOM 0 HD2 ARG A 53 -10.780 -1.145 3.711 1.00 1.03 H new ATOM 0 HD3 ARG A 53 -11.737 -1.248 2.246 1.00 1.03 H new ATOM 0 HE ARG A 53 -9.564 -3.084 2.003 1.00 1.87 H new ATOM 0 HH11 ARG A 53 -12.539 -2.572 3.845 1.00 2.43 H new ATOM 0 HH12 ARG A 53 -12.781 -4.295 4.155 1.00 2.43 H new ATOM 0 HH21 ARG A 53 -9.892 -5.299 2.414 1.00 3.26 H new ATOM 0 HH22 ARG A 53 -11.294 -5.826 3.351 1.00 3.26 H new ATOM 782 N VAL A 54 -7.568 1.609 -0.195 1.00 0.19 N ATOM 783 CA VAL A 54 -7.151 1.707 -1.585 1.00 0.19 C ATOM 784 C VAL A 54 -6.451 0.439 -2.052 1.00 0.15 C ATOM 785 O VAL A 54 -6.117 -0.433 -1.245 1.00 0.19 O ATOM 786 CB VAL A 54 -6.214 2.917 -1.776 1.00 0.23 C ATOM 787 CG1 VAL A 54 -6.999 4.214 -1.677 1.00 0.30 C ATOM 788 CG2 VAL A 54 -5.104 2.883 -0.740 1.00 0.25 C ATOM 0 H VAL A 54 -6.818 1.364 0.452 1.00 0.19 H new ATOM 0 HA VAL A 54 -8.049 1.840 -2.189 1.00 0.19 H new ATOM 0 HB VAL A 54 -5.766 2.864 -2.768 1.00 0.23 H new ATOM 0 HG11 VAL A 54 -6.324 5.059 -1.814 1.00 0.30 H new ATOM 0 HG12 VAL A 54 -7.767 4.234 -2.450 1.00 0.30 H new ATOM 0 HG13 VAL A 54 -7.469 4.281 -0.696 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -4.447 3.741 -0.882 1.00 0.25 H new ATOM 0 HG22 VAL A 54 -5.538 2.920 0.259 1.00 0.25 H new ATOM 0 HG23 VAL A 54 -4.529 1.964 -0.852 1.00 0.25 H new ATOM 798 N ALA A 55 -6.265 0.335 -3.358 1.00 0.14 N ATOM 799 CA ALA A 55 -5.572 -0.790 -3.960 1.00 0.13 C ATOM 800 C ALA A 55 -4.277 -0.315 -4.600 1.00 0.13 C ATOM 801 O ALA A 55 -4.288 0.584 -5.444 1.00 0.16 O ATOM 802 CB ALA A 55 -6.466 -1.463 -4.991 1.00 0.15 C ATOM 0 H ALA A 55 -6.591 1.029 -4.030 1.00 0.14 H new ATOM 0 HA ALA A 55 -5.331 -1.519 -3.187 1.00 0.13 H new ATOM 0 HB1 ALA A 55 -5.937 -2.305 -5.437 1.00 0.15 H new ATOM 0 HB2 ALA A 55 -7.375 -1.820 -4.507 1.00 0.15 H new ATOM 0 HB3 ALA A 55 -6.727 -0.746 -5.769 1.00 0.15 H new ATOM 808 N PHE A 56 -3.167 -0.906 -4.196 1.00 0.16 N ATOM 809 CA PHE A 56 -1.858 -0.453 -4.640 1.00 0.16 C ATOM 810 C PHE A 56 -0.918 -1.621 -4.886 1.00 0.15 C ATOM 811 O PHE A 56 -1.311 -2.788 -4.806 1.00 0.17 O ATOM 812 CB PHE A 56 -1.239 0.493 -3.598 1.00 0.19 C ATOM 813 CG PHE A 56 -1.286 -0.017 -2.180 1.00 0.21 C ATOM 814 CD1 PHE A 56 -2.402 0.198 -1.385 1.00 0.26 C ATOM 815 CD2 PHE A 56 -0.206 -0.698 -1.641 1.00 0.27 C ATOM 816 CE1 PHE A 56 -2.438 -0.259 -0.080 1.00 0.34 C ATOM 817 CE2 PHE A 56 -0.238 -1.158 -0.338 1.00 0.33 C ATOM 818 CZ PHE A 56 -1.355 -0.938 0.441 1.00 0.36 C ATOM 0 H PHE A 56 -3.144 -1.703 -3.560 1.00 0.16 H new ATOM 0 HA PHE A 56 -1.997 0.080 -5.581 1.00 0.16 H new ATOM 0 HB2 PHE A 56 -0.200 0.680 -3.869 1.00 0.19 H new ATOM 0 HB3 PHE A 56 -1.757 1.451 -3.643 1.00 0.19 H new ATOM 0 HD1 PHE A 56 -3.252 0.728 -1.789 1.00 0.26 H new ATOM 0 HD2 PHE A 56 0.671 -0.871 -2.246 1.00 0.27 H new ATOM 0 HE1 PHE A 56 -3.312 -0.085 0.530 1.00 0.34 H new ATOM 0 HE2 PHE A 56 0.610 -1.689 0.069 1.00 0.33 H new ATOM 0 HZ PHE A 56 -1.382 -1.297 1.459 1.00 0.36 H new ATOM 828 N SER A 57 0.317 -1.302 -5.224 1.00 0.23 N ATOM 829 CA SER A 57 1.365 -2.286 -5.253 1.00 0.27 C ATOM 830 C SER A 57 2.587 -1.709 -4.558 1.00 0.30 C ATOM 831 O SER A 57 2.542 -0.573 -4.077 1.00 0.51 O ATOM 832 CB SER A 57 1.650 -2.677 -6.701 1.00 0.37 C ATOM 833 OG SER A 57 1.250 -1.642 -7.589 1.00 1.08 O ATOM 0 H SER A 57 0.613 -0.361 -5.483 1.00 0.23 H new ATOM 0 HA SER A 57 1.071 -3.193 -4.724 1.00 0.27 H new ATOM 0 HB2 SER A 57 2.714 -2.879 -6.826 1.00 0.37 H new ATOM 0 HB3 SER A 57 1.120 -3.598 -6.945 1.00 0.37 H new ATOM 0 HG SER A 57 1.442 -1.910 -8.512 1.00 1.08 H new ATOM 839 N PHE A 58 3.673 -2.453 -4.513 1.00 0.21 N ATOM 840 CA PHE A 58 4.892 -1.961 -3.899 1.00 0.23 C ATOM 841 C PHE A 58 6.059 -2.849 -4.273 1.00 0.20 C ATOM 842 O PHE A 58 5.868 -3.978 -4.718 1.00 0.23 O ATOM 843 CB PHE A 58 4.758 -1.892 -2.373 1.00 0.29 C ATOM 844 CG PHE A 58 4.653 -3.237 -1.697 1.00 0.30 C ATOM 845 CD1 PHE A 58 3.451 -3.927 -1.674 1.00 0.33 C ATOM 846 CD2 PHE A 58 5.759 -3.807 -1.086 1.00 0.36 C ATOM 847 CE1 PHE A 58 3.355 -5.159 -1.055 1.00 0.37 C ATOM 848 CE2 PHE A 58 5.667 -5.039 -0.465 1.00 0.41 C ATOM 849 CZ PHE A 58 4.465 -5.715 -0.450 1.00 0.40 C ATOM 0 H PHE A 58 3.738 -3.398 -4.892 1.00 0.21 H new ATOM 0 HA PHE A 58 5.071 -0.952 -4.271 1.00 0.23 H new ATOM 0 HB2 PHE A 58 5.620 -1.361 -1.968 1.00 0.29 H new ATOM 0 HB3 PHE A 58 3.875 -1.303 -2.124 1.00 0.29 H new ATOM 0 HD1 PHE A 58 2.580 -3.497 -2.145 1.00 0.33 H new ATOM 0 HD2 PHE A 58 6.703 -3.283 -1.095 1.00 0.36 H new ATOM 0 HE1 PHE A 58 2.413 -5.687 -1.044 1.00 0.37 H new ATOM 0 HE2 PHE A 58 6.536 -5.472 0.008 1.00 0.41 H new ATOM 0 HZ PHE A 58 4.392 -6.678 0.034 1.00 0.40 H new ATOM 859 N ARG A 59 7.259 -2.338 -4.096 1.00 0.23 N ATOM 860 CA ARG A 59 8.454 -3.113 -4.357 1.00 0.29 C ATOM 861 C ARG A 59 9.284 -3.238 -3.089 1.00 0.38 C ATOM 862 O ARG A 59 9.436 -2.274 -2.335 1.00 0.53 O ATOM 863 CB ARG A 59 9.283 -2.473 -5.469 1.00 0.42 C ATOM 864 CG ARG A 59 8.544 -2.357 -6.792 1.00 0.59 C ATOM 865 CD ARG A 59 9.450 -1.839 -7.893 1.00 0.63 C ATOM 866 NE ARG A 59 10.049 -0.550 -7.555 1.00 1.59 N ATOM 867 CZ ARG A 59 10.834 0.141 -8.376 1.00 2.06 C ATOM 868 NH1 ARG A 59 11.109 -0.332 -9.585 1.00 1.94 N ATOM 869 NH2 ARG A 59 11.344 1.299 -7.981 1.00 3.07 N ATOM 0 H ARG A 59 7.433 -1.387 -3.772 1.00 0.23 H new ATOM 0 HA ARG A 59 8.153 -4.109 -4.684 1.00 0.29 H new ATOM 0 HB2 ARG A 59 9.597 -1.479 -5.150 1.00 0.42 H new ATOM 0 HB3 ARG A 59 10.189 -3.061 -5.619 1.00 0.42 H new ATOM 0 HG2 ARG A 59 8.147 -3.332 -7.075 1.00 0.59 H new ATOM 0 HG3 ARG A 59 7.692 -1.688 -6.676 1.00 0.59 H new ATOM 0 HD2 ARG A 59 10.240 -2.566 -8.083 1.00 0.63 H new ATOM 0 HD3 ARG A 59 8.878 -1.741 -8.816 1.00 0.63 H new ATOM 0 HE ARG A 59 9.853 -0.157 -6.634 1.00 1.59 H new ATOM 0 HH11 ARG A 59 10.718 -1.225 -9.884 1.00 1.94 H new ATOM 0 HH12 ARG A 59 11.711 0.198 -10.215 1.00 1.94 H new ATOM 0 HH21 ARG A 59 11.134 1.658 -7.050 1.00 3.07 H new ATOM 0 HH22 ARG A 59 11.947 1.831 -8.609 1.00 3.07 H new ATOM 883 N LEU A 60 9.804 -4.432 -2.855 1.00 0.37 N ATOM 884 CA LEU A 60 10.631 -4.682 -1.688 1.00 0.46 C ATOM 885 C LEU A 60 12.100 -4.557 -2.035 1.00 0.59 C ATOM 886 O LEU A 60 12.587 -5.203 -2.964 1.00 0.71 O ATOM 887 CB LEU A 60 10.351 -6.068 -1.103 1.00 0.53 C ATOM 888 CG LEU A 60 9.154 -6.148 -0.154 1.00 0.57 C ATOM 889 CD1 LEU A 60 8.929 -7.582 0.295 1.00 1.04 C ATOM 890 CD2 LEU A 60 9.373 -5.244 1.052 1.00 0.83 C ATOM 0 H LEU A 60 9.667 -5.243 -3.459 1.00 0.37 H new ATOM 0 HA LEU A 60 10.380 -3.932 -0.938 1.00 0.46 H new ATOM 0 HB2 LEU A 60 10.189 -6.765 -1.925 1.00 0.53 H new ATOM 0 HB3 LEU A 60 11.240 -6.405 -0.570 1.00 0.53 H new ATOM 0 HG LEU A 60 8.266 -5.808 -0.687 1.00 0.57 H new ATOM 0 HD11 LEU A 60 8.074 -7.622 0.970 1.00 1.04 H new ATOM 0 HD12 LEU A 60 8.735 -8.209 -0.575 1.00 1.04 H new ATOM 0 HD13 LEU A 60 9.817 -7.945 0.813 1.00 1.04 H new ATOM 0 HD21 LEU A 60 8.513 -5.311 1.718 1.00 0.83 H new ATOM 0 HD22 LEU A 60 10.270 -5.559 1.585 1.00 0.83 H new ATOM 0 HD23 LEU A 60 9.493 -4.214 0.717 1.00 0.83 H new ATOM 902 N ASP A 61 12.796 -3.711 -1.298 1.00 0.69 N ATOM 903 CA ASP A 61 14.231 -3.568 -1.456 1.00 0.92 C ATOM 904 C ASP A 61 14.939 -4.557 -0.539 1.00 1.02 C ATOM 905 O ASP A 61 14.322 -5.108 0.374 1.00 0.96 O ATOM 906 CB ASP A 61 14.682 -2.133 -1.155 1.00 1.08 C ATOM 907 CG ASP A 61 14.256 -1.145 -2.222 1.00 1.45 C ATOM 908 OD1 ASP A 61 13.124 -0.625 -2.150 1.00 1.77 O ATOM 909 OD2 ASP A 61 15.061 -0.875 -3.138 1.00 1.87 O ATOM 0 H ASP A 61 12.388 -3.110 -0.581 1.00 0.69 H new ATOM 0 HA ASP A 61 14.494 -3.782 -2.492 1.00 0.92 H new ATOM 0 HB2 ASP A 61 14.271 -1.822 -0.194 1.00 1.08 H new ATOM 0 HB3 ASP A 61 15.768 -2.111 -1.059 1.00 1.08 H new ATOM 914 N PRO A 62 16.248 -4.772 -0.742 1.00 1.24 N ATOM 915 CA PRO A 62 17.010 -5.818 -0.047 1.00 1.37 C ATOM 916 C PRO A 62 17.159 -5.567 1.454 1.00 1.40 C ATOM 917 O PRO A 62 17.727 -6.383 2.173 1.00 1.57 O ATOM 918 CB PRO A 62 18.387 -5.783 -0.729 1.00 1.62 C ATOM 919 CG PRO A 62 18.190 -4.989 -1.977 1.00 1.62 C ATOM 920 CD PRO A 62 17.099 -4.013 -1.664 1.00 1.42 C ATOM 0 HA PRO A 62 16.502 -6.780 -0.116 1.00 1.37 H new ATOM 0 HB2 PRO A 62 19.134 -5.321 -0.083 1.00 1.62 H new ATOM 0 HB3 PRO A 62 18.739 -6.789 -0.955 1.00 1.62 H new ATOM 0 HG2 PRO A 62 19.107 -4.474 -2.263 1.00 1.62 H new ATOM 0 HG3 PRO A 62 17.913 -5.633 -2.812 1.00 1.62 H new ATOM 0 HD2 PRO A 62 17.487 -3.105 -1.203 1.00 1.42 H new ATOM 0 HD3 PRO A 62 16.557 -3.709 -2.560 1.00 1.42 H new ATOM 928 N HIS A 63 16.648 -4.442 1.924 1.00 1.30 N ATOM 929 CA HIS A 63 16.712 -4.109 3.337 1.00 1.38 C ATOM 930 C HIS A 63 15.378 -4.369 4.010 1.00 1.28 C ATOM 931 O HIS A 63 15.211 -4.124 5.203 1.00 1.42 O ATOM 932 CB HIS A 63 17.095 -2.648 3.511 1.00 1.49 C ATOM 933 CG HIS A 63 18.568 -2.422 3.651 1.00 1.71 C ATOM 934 ND1 HIS A 63 19.156 -1.972 4.812 1.00 2.10 N ATOM 935 CD2 HIS A 63 19.572 -2.581 2.761 1.00 1.99 C ATOM 936 CE1 HIS A 63 20.458 -1.862 4.627 1.00 2.43 C ATOM 937 NE2 HIS A 63 20.738 -2.229 3.391 1.00 2.36 N ATOM 0 H HIS A 63 16.183 -3.742 1.346 1.00 1.30 H new ATOM 0 HA HIS A 63 17.468 -4.740 3.803 1.00 1.38 H new ATOM 0 HB2 HIS A 63 16.730 -2.082 2.654 1.00 1.49 H new ATOM 0 HB3 HIS A 63 16.591 -2.252 4.393 1.00 1.49 H new ATOM 0 HD2 HIS A 63 19.474 -2.922 1.741 1.00 1.99 H new ATOM 0 HE1 HIS A 63 21.174 -1.528 5.363 1.00 2.43 H new ATOM 0 HE2 HIS A 63 21.668 -2.248 2.973 1.00 2.36 H new ATOM 946 N GLY A 64 14.434 -4.864 3.230 1.00 1.08 N ATOM 947 CA GLY A 64 13.089 -5.065 3.726 1.00 1.04 C ATOM 948 C GLY A 64 12.276 -3.799 3.602 1.00 0.92 C ATOM 949 O GLY A 64 11.304 -3.591 4.330 1.00 1.01 O ATOM 0 H GLY A 64 14.575 -5.132 2.256 1.00 1.08 H new ATOM 0 HA2 GLY A 64 12.607 -5.868 3.168 1.00 1.04 H new ATOM 0 HA3 GLY A 64 13.125 -5.379 4.769 1.00 1.04 H new ATOM 953 N MET A 65 12.689 -2.950 2.671 1.00 0.80 N ATOM 954 CA MET A 65 12.050 -1.659 2.470 1.00 0.75 C ATOM 955 C MET A 65 10.801 -1.818 1.632 1.00 0.57 C ATOM 956 O MET A 65 10.821 -2.470 0.588 1.00 0.53 O ATOM 957 CB MET A 65 13.006 -0.677 1.793 1.00 0.88 C ATOM 958 CG MET A 65 14.205 -0.314 2.646 1.00 1.22 C ATOM 959 SD MET A 65 13.774 0.670 4.096 1.00 1.93 S ATOM 960 CE MET A 65 13.106 2.143 3.323 1.00 2.74 C ATOM 0 H MET A 65 13.469 -3.135 2.040 1.00 0.80 H new ATOM 0 HA MET A 65 11.778 -1.260 3.447 1.00 0.75 H new ATOM 0 HB2 MET A 65 13.355 -1.110 0.856 1.00 0.88 H new ATOM 0 HB3 MET A 65 12.461 0.233 1.541 1.00 0.88 H new ATOM 0 HG2 MET A 65 14.702 -1.228 2.970 1.00 1.22 H new ATOM 0 HG3 MET A 65 14.921 0.240 2.039 1.00 1.22 H new ATOM 0 HE1 MET A 65 13.467 3.026 3.850 1.00 2.74 H new ATOM 0 HE2 MET A 65 13.427 2.185 2.282 1.00 2.74 H new ATOM 0 HE3 MET A 65 12.017 2.115 3.366 1.00 2.74 H new ATOM 970 N ALA A 66 9.727 -1.208 2.087 1.00 0.52 N ATOM 971 CA ALA A 66 8.449 -1.310 1.414 1.00 0.43 C ATOM 972 C ALA A 66 8.163 -0.007 0.699 1.00 0.36 C ATOM 973 O ALA A 66 7.732 0.973 1.308 1.00 0.42 O ATOM 974 CB ALA A 66 7.344 -1.644 2.406 1.00 0.54 C ATOM 0 H ALA A 66 9.714 -0.631 2.928 1.00 0.52 H new ATOM 0 HA ALA A 66 8.486 -2.118 0.683 1.00 0.43 H new ATOM 0 HB1 ALA A 66 6.392 -1.716 1.880 1.00 0.54 H new ATOM 0 HB2 ALA A 66 7.564 -2.596 2.889 1.00 0.54 H new ATOM 0 HB3 ALA A 66 7.283 -0.860 3.160 1.00 0.54 H new ATOM 980 N THR A 67 8.443 0.017 -0.584 1.00 0.30 N ATOM 981 CA THR A 67 8.315 1.234 -1.341 1.00 0.30 C ATOM 982 C THR A 67 7.084 1.186 -2.228 1.00 0.25 C ATOM 983 O THR A 67 6.953 0.314 -3.088 1.00 0.26 O ATOM 984 CB THR A 67 9.572 1.480 -2.186 1.00 0.36 C ATOM 985 OG1 THR A 67 10.726 0.990 -1.486 1.00 0.71 O ATOM 986 CG2 THR A 67 9.741 2.964 -2.443 1.00 0.66 C ATOM 0 H THR A 67 8.759 -0.791 -1.121 1.00 0.30 H new ATOM 0 HA THR A 67 8.203 2.060 -0.639 1.00 0.30 H new ATOM 0 HB THR A 67 9.467 0.957 -3.137 1.00 0.36 H new ATOM 0 HG1 THR A 67 11.314 0.519 -2.113 1.00 0.71 H new ATOM 0 HG21 THR A 67 10.636 3.130 -3.043 1.00 0.66 H new ATOM 0 HG22 THR A 67 8.870 3.342 -2.978 1.00 0.66 H new ATOM 0 HG23 THR A 67 9.839 3.489 -1.493 1.00 0.66 H new ATOM 994 N LEU A 68 6.183 2.129 -1.998 1.00 0.24 N ATOM 995 CA LEU A 68 4.923 2.199 -2.715 1.00 0.23 C ATOM 996 C LEU A 68 5.177 2.541 -4.175 1.00 0.22 C ATOM 997 O LEU A 68 6.055 3.349 -4.486 1.00 0.34 O ATOM 998 CB LEU A 68 4.039 3.266 -2.073 1.00 0.27 C ATOM 999 CG LEU A 68 2.569 3.254 -2.479 1.00 0.56 C ATOM 1000 CD1 LEU A 68 1.923 1.935 -2.094 1.00 1.18 C ATOM 1001 CD2 LEU A 68 1.839 4.419 -1.826 1.00 1.09 C ATOM 0 H LEU A 68 6.307 2.868 -1.306 1.00 0.24 H new ATOM 0 HA LEU A 68 4.420 1.233 -2.665 1.00 0.23 H new ATOM 0 HB2 LEU A 68 4.097 3.153 -0.990 1.00 0.27 H new ATOM 0 HB3 LEU A 68 4.453 4.245 -2.314 1.00 0.27 H new ATOM 0 HG LEU A 68 2.502 3.363 -3.561 1.00 0.56 H new ATOM 0 HD11 LEU A 68 0.874 1.943 -2.391 1.00 1.18 H new ATOM 0 HD12 LEU A 68 2.437 1.117 -2.599 1.00 1.18 H new ATOM 0 HD13 LEU A 68 1.994 1.796 -1.015 1.00 1.18 H new ATOM 0 HD21 LEU A 68 0.790 4.403 -2.121 1.00 1.09 H new ATOM 0 HD22 LEU A 68 1.912 4.332 -0.742 1.00 1.09 H new ATOM 0 HD23 LEU A 68 2.292 5.357 -2.146 1.00 1.09 H new ATOM 1013 N VAL A 69 4.419 1.930 -5.067 1.00 0.21 N ATOM 1014 CA VAL A 69 4.609 2.154 -6.484 1.00 0.23 C ATOM 1015 C VAL A 69 3.455 2.955 -7.079 1.00 0.23 C ATOM 1016 O VAL A 69 3.641 4.082 -7.535 1.00 0.30 O ATOM 1017 CB VAL A 69 4.786 0.826 -7.241 1.00 0.29 C ATOM 1018 CG1 VAL A 69 6.146 0.222 -6.957 1.00 1.01 C ATOM 1019 CG2 VAL A 69 3.728 -0.165 -6.873 1.00 0.98 C ATOM 0 H VAL A 69 3.670 1.278 -4.835 1.00 0.21 H new ATOM 0 HA VAL A 69 5.523 2.737 -6.599 1.00 0.23 H new ATOM 0 HB VAL A 69 4.700 1.054 -8.303 1.00 0.29 H new ATOM 0 HG11 VAL A 69 6.249 -0.716 -7.503 1.00 1.01 H new ATOM 0 HG12 VAL A 69 6.925 0.914 -7.276 1.00 1.01 H new ATOM 0 HG13 VAL A 69 6.244 0.033 -5.888 1.00 1.01 H new ATOM 0 HG21 VAL A 69 3.887 -1.090 -7.428 1.00 0.98 H new ATOM 0 HG22 VAL A 69 3.778 -0.370 -5.804 1.00 0.98 H new ATOM 0 HG23 VAL A 69 2.747 0.242 -7.119 1.00 0.98 H new ATOM 1029 N THR A 70 2.268 2.372 -7.062 1.00 0.19 N ATOM 1030 CA THR A 70 1.081 3.019 -7.586 1.00 0.21 C ATOM 1031 C THR A 70 -0.102 2.669 -6.706 1.00 0.22 C ATOM 1032 O THR A 70 -0.182 1.548 -6.208 1.00 0.32 O ATOM 1033 CB THR A 70 0.781 2.567 -9.031 1.00 0.28 C ATOM 1034 OG1 THR A 70 0.768 1.136 -9.094 1.00 0.42 O ATOM 1035 CG2 THR A 70 1.806 3.116 -10.013 1.00 0.37 C ATOM 0 H THR A 70 2.102 1.439 -6.685 1.00 0.19 H new ATOM 0 HA THR A 70 1.254 4.095 -7.593 1.00 0.21 H new ATOM 0 HB THR A 70 -0.196 2.960 -9.312 1.00 0.28 H new ATOM 0 HG1 THR A 70 0.576 0.851 -10.012 1.00 0.42 H new ATOM 0 HG21 THR A 70 1.563 2.777 -11.020 1.00 0.37 H new ATOM 0 HG22 THR A 70 1.791 4.205 -9.983 1.00 0.37 H new ATOM 0 HG23 THR A 70 2.799 2.759 -9.740 1.00 0.37 H new ATOM 1043 N VAL A 71 -1.001 3.614 -6.497 1.00 0.20 N ATOM 1044 CA VAL A 71 -2.183 3.351 -5.700 1.00 0.20 C ATOM 1045 C VAL A 71 -3.423 3.940 -6.364 1.00 0.20 C ATOM 1046 O VAL A 71 -3.384 5.039 -6.921 1.00 0.25 O ATOM 1047 CB VAL A 71 -2.038 3.896 -4.259 1.00 0.24 C ATOM 1048 CG1 VAL A 71 -1.996 5.414 -4.235 1.00 0.32 C ATOM 1049 CG2 VAL A 71 -3.163 3.386 -3.381 1.00 0.24 C ATOM 0 H VAL A 71 -0.936 4.563 -6.865 1.00 0.20 H new ATOM 0 HA VAL A 71 -2.296 2.269 -5.636 1.00 0.20 H new ATOM 0 HB VAL A 71 -1.089 3.531 -3.865 1.00 0.24 H new ATOM 0 HG11 VAL A 71 -1.894 5.759 -3.206 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -1.146 5.764 -4.821 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -2.918 5.810 -4.660 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -3.044 3.780 -2.372 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -4.119 3.714 -3.788 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -3.136 2.297 -3.351 1.00 0.24 H new ATOM 1059 N ALA A 72 -4.504 3.181 -6.331 1.00 0.23 N ATOM 1060 CA ALA A 72 -5.766 3.615 -6.894 1.00 0.27 C ATOM 1061 C ALA A 72 -6.873 3.467 -5.861 1.00 0.26 C ATOM 1062 O ALA A 72 -6.871 2.517 -5.075 1.00 0.24 O ATOM 1063 CB ALA A 72 -6.090 2.813 -8.148 1.00 0.29 C ATOM 0 H ALA A 72 -4.530 2.250 -5.914 1.00 0.23 H new ATOM 0 HA ALA A 72 -5.687 4.666 -7.172 1.00 0.27 H new ATOM 0 HB1 ALA A 72 -7.041 3.150 -8.560 1.00 0.29 H new ATOM 0 HB2 ALA A 72 -5.302 2.959 -8.887 1.00 0.29 H new ATOM 0 HB3 ALA A 72 -6.159 1.755 -7.896 1.00 0.29 H new ATOM 1069 N PRO A 73 -7.817 4.414 -5.828 1.00 0.37 N ATOM 1070 CA PRO A 73 -8.939 4.372 -4.891 1.00 0.42 C ATOM 1071 C PRO A 73 -9.844 3.171 -5.141 1.00 0.40 C ATOM 1072 O PRO A 73 -10.295 2.933 -6.266 1.00 0.52 O ATOM 1073 CB PRO A 73 -9.692 5.678 -5.156 1.00 0.59 C ATOM 1074 CG PRO A 73 -9.278 6.093 -6.525 1.00 0.81 C ATOM 1075 CD PRO A 73 -7.870 5.600 -6.699 1.00 0.50 C ATOM 0 HA PRO A 73 -8.603 4.273 -3.859 1.00 0.42 H new ATOM 0 HB2 PRO A 73 -10.770 5.530 -5.098 1.00 0.59 H new ATOM 0 HB3 PRO A 73 -9.434 6.438 -4.419 1.00 0.59 H new ATOM 0 HG2 PRO A 73 -9.938 5.664 -7.279 1.00 0.81 H new ATOM 0 HG3 PRO A 73 -9.329 7.176 -6.636 1.00 0.81 H new ATOM 0 HD2 PRO A 73 -7.658 5.346 -7.738 1.00 0.50 H new ATOM 0 HD3 PRO A 73 -7.140 6.352 -6.399 1.00 0.50 H new ATOM 1083 N GLN A 74 -10.092 2.409 -4.095 1.00 0.39 N ATOM 1084 CA GLN A 74 -10.955 1.250 -4.185 1.00 0.42 C ATOM 1085 C GLN A 74 -11.998 1.312 -3.086 1.00 0.38 C ATOM 1086 O GLN A 74 -12.003 2.238 -2.275 1.00 0.49 O ATOM 1087 CB GLN A 74 -10.169 -0.059 -4.094 1.00 0.59 C ATOM 1088 CG GLN A 74 -9.730 -0.412 -2.686 1.00 0.72 C ATOM 1089 CD GLN A 74 -9.479 -1.891 -2.509 1.00 0.55 C ATOM 1090 OE1 GLN A 74 -10.091 -2.724 -3.179 1.00 1.08 O ATOM 1091 NE2 GLN A 74 -8.585 -2.234 -1.603 1.00 0.47 N ATOM 0 H GLN A 74 -9.704 2.574 -3.166 1.00 0.39 H new ATOM 0 HA GLN A 74 -11.441 1.267 -5.160 1.00 0.42 H new ATOM 0 HB2 GLN A 74 -10.783 -0.869 -4.487 1.00 0.59 H new ATOM 0 HB3 GLN A 74 -9.288 0.012 -4.732 1.00 0.59 H new ATOM 0 HG2 GLN A 74 -8.821 0.138 -2.444 1.00 0.72 H new ATOM 0 HG3 GLN A 74 -10.495 -0.090 -1.979 1.00 0.72 H new ATOM 0 HE21 GLN A 74 -8.099 -1.514 -1.068 1.00 0.47 H new ATOM 0 HE22 GLN A 74 -8.379 -3.219 -1.437 1.00 0.47 H new ATOM 1100 N VAL A 75 -12.880 0.336 -3.065 1.00 0.41 N ATOM 1101 CA VAL A 75 -13.949 0.308 -2.096 1.00 0.54 C ATOM 1102 C VAL A 75 -13.982 -1.058 -1.441 1.00 0.60 C ATOM 1103 O VAL A 75 -14.453 -2.035 -2.026 1.00 0.78 O ATOM 1104 CB VAL A 75 -15.325 0.679 -2.705 1.00 0.73 C ATOM 1105 CG1 VAL A 75 -15.343 2.148 -3.102 1.00 1.32 C ATOM 1106 CG2 VAL A 75 -15.666 -0.190 -3.906 1.00 1.64 C ATOM 0 H VAL A 75 -12.876 -0.452 -3.713 1.00 0.41 H new ATOM 0 HA VAL A 75 -13.748 1.072 -1.345 1.00 0.54 H new ATOM 0 HB VAL A 75 -16.082 0.499 -1.942 1.00 0.73 H new ATOM 0 HG11 VAL A 75 -16.314 2.398 -3.529 1.00 1.32 H new ATOM 0 HG12 VAL A 75 -15.164 2.765 -2.222 1.00 1.32 H new ATOM 0 HG13 VAL A 75 -14.563 2.335 -3.841 1.00 1.32 H new ATOM 0 HG21 VAL A 75 -16.638 0.103 -4.303 1.00 1.64 H new ATOM 0 HG22 VAL A 75 -14.906 -0.061 -4.676 1.00 1.64 H new ATOM 0 HG23 VAL A 75 -15.699 -1.236 -3.601 1.00 1.64 H new