USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 805 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 1 SER OG : rot -110:sc= 0.0122 USER MOD Set 1.2: A 26 GLN : amide:sc= 0 X(o=0.012,f=0.012) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 143:sc= 1.66 (180deg=0.974) USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0.589 USER MOD Single : A 1 SER N :NH3+ 140:sc= 0.0525 (180deg=0) USER MOD Single : A 6 CYS SG : rot 31:sc= 0.146 USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0147) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.492 F(o=-2.8,f=-0.49) USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00131) USER MOD Single : A 47 LYS NZ :NH3+ -127:sc= -0.602 (180deg=-2.36!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -1.76 F(o=-3.8!,f=-1.8) USER MOD Single : A 62 SER OG : rot -157:sc= 0.968 USER MOD Single : A 72 ASN : amide:sc= 0.136 X(o=0.14,f=-0.21) USER MOD Single : A 84 TYR OH : rot 40:sc= -4.12! USER MOD Single : A 85 GLN :FLIP amide:sc= -2.24! C(o=-3.3!,f=-2.2!) USER MOD Single : A 87 GLN : amide:sc= -0.893 K(o=-0.89,f=-3.2!) USER MOD Single : A 89 GLN : amide:sc= 0.685 K(o=0.68,f=-0.028) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -38:sc= 0.178 USER MOD Single : A 99 HIS : no HD1:sc= -0.298 K(o=-0.3,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.724 -5.475 10.661 1.00 5.35 N ATOM 2 CA SER A 1 13.580 -6.235 9.405 1.00 4.89 C ATOM 3 C SER A 1 14.242 -5.479 8.259 1.00 4.07 C ATOM 4 O SER A 1 14.225 -4.252 8.247 1.00 4.19 O ATOM 5 CB SER A 1 12.097 -6.456 9.106 1.00 5.38 C ATOM 6 OG SER A 1 11.448 -7.102 10.193 1.00 5.96 O ATOM 0 H1 SER A 1 12.841 -5.536 11.207 1.00 5.35 H new ATOM 0 H2 SER A 1 14.505 -5.873 11.220 1.00 5.35 H new ATOM 0 H3 SER A 1 13.927 -4.479 10.443 1.00 5.35 H new ATOM 0 HA SER A 1 14.069 -7.203 9.512 1.00 4.89 H new ATOM 0 HB2 SER A 1 11.616 -5.498 8.908 1.00 5.38 H new ATOM 0 HB3 SER A 1 11.990 -7.059 8.204 1.00 5.38 H new ATOM 0 HG SER A 1 11.210 -8.017 9.935 1.00 5.96 H new ATOM 14 N ALA A 2 14.842 -6.222 7.324 1.00 3.54 N ATOM 15 CA ALA A 2 15.486 -5.653 6.136 1.00 2.75 C ATOM 16 C ALA A 2 16.655 -4.745 6.507 1.00 2.55 C ATOM 17 O ALA A 2 16.469 -3.598 6.922 1.00 2.81 O ATOM 18 CB ALA A 2 14.480 -4.916 5.257 1.00 2.31 C ATOM 0 H ALA A 2 14.895 -7.240 7.370 1.00 3.54 H new ATOM 0 HA ALA A 2 15.888 -6.486 5.560 1.00 2.75 H new ATOM 0 HB1 ALA A 2 14.990 -4.506 4.385 1.00 2.31 H new ATOM 0 HB2 ALA A 2 13.705 -5.610 4.931 1.00 2.31 H new ATOM 0 HB3 ALA A 2 14.025 -4.105 5.826 1.00 2.31 H new ATOM 24 N ALA A 3 17.862 -5.273 6.351 1.00 2.36 N ATOM 25 CA ALA A 3 19.078 -4.527 6.657 1.00 2.24 C ATOM 26 C ALA A 3 19.135 -3.194 5.896 1.00 1.58 C ATOM 27 O ALA A 3 19.413 -2.163 6.502 1.00 2.00 O ATOM 28 CB ALA A 3 20.314 -5.371 6.375 1.00 2.41 C ATOM 0 H ALA A 3 18.026 -6.221 6.012 1.00 2.36 H new ATOM 0 HA ALA A 3 19.060 -4.291 7.721 1.00 2.24 H new ATOM 0 HB1 ALA A 3 21.209 -4.795 6.610 1.00 2.41 H new ATOM 0 HB2 ALA A 3 20.289 -6.270 6.991 1.00 2.41 H new ATOM 0 HB3 ALA A 3 20.330 -5.653 5.322 1.00 2.41 H new ATOM 34 N PRO A 4 18.881 -3.183 4.564 1.00 0.85 N ATOM 35 CA PRO A 4 18.822 -1.933 3.793 1.00 0.76 C ATOM 36 C PRO A 4 17.729 -0.991 4.303 1.00 0.79 C ATOM 37 O PRO A 4 18.005 0.000 4.979 1.00 1.23 O ATOM 38 CB PRO A 4 18.510 -2.398 2.364 1.00 1.00 C ATOM 39 CG PRO A 4 17.957 -3.772 2.518 1.00 1.18 C ATOM 40 CD PRO A 4 18.663 -4.359 3.699 1.00 1.10 C ATOM 0 HA PRO A 4 19.749 -1.365 3.870 1.00 0.76 H new ATOM 0 HB2 PRO A 4 17.792 -1.735 1.881 1.00 1.00 H new ATOM 0 HB3 PRO A 4 19.407 -2.401 1.745 1.00 1.00 H new ATOM 0 HG2 PRO A 4 16.879 -3.745 2.679 1.00 1.18 H new ATOM 0 HG3 PRO A 4 18.131 -4.367 1.622 1.00 1.18 H new ATOM 0 HD2 PRO A 4 18.060 -5.120 4.194 1.00 1.10 H new ATOM 0 HD3 PRO A 4 19.603 -4.832 3.415 1.00 1.10 H new ATOM 48 N LEU A 5 16.490 -1.321 3.986 1.00 0.43 N ATOM 49 CA LEU A 5 15.344 -0.548 4.424 1.00 0.45 C ATOM 50 C LEU A 5 14.143 -1.467 4.493 1.00 0.37 C ATOM 51 O LEU A 5 14.057 -2.421 3.732 1.00 0.42 O ATOM 52 CB LEU A 5 15.055 0.614 3.461 1.00 0.52 C ATOM 53 CG LEU A 5 14.447 0.230 2.104 1.00 0.60 C ATOM 54 CD1 LEU A 5 14.035 1.472 1.342 1.00 1.28 C ATOM 55 CD2 LEU A 5 15.425 -0.585 1.274 1.00 1.27 C ATOM 0 H LEU A 5 16.251 -2.133 3.417 1.00 0.43 H new ATOM 0 HA LEU A 5 15.556 -0.122 5.405 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.378 1.310 3.956 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.987 1.150 3.280 1.00 0.52 H new ATOM 0 HG LEU A 5 13.566 -0.383 2.294 1.00 0.60 H new ATOM 0 HD11 LEU A 5 13.606 1.184 0.382 1.00 1.28 H new ATOM 0 HD12 LEU A 5 13.294 2.024 1.920 1.00 1.28 H new ATOM 0 HD13 LEU A 5 14.908 2.103 1.175 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.966 -0.842 0.319 1.00 1.27 H new ATOM 0 HD22 LEU A 5 16.328 -0.000 1.097 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.684 -1.498 1.810 1.00 1.27 H new ATOM 67 N CYS A 6 13.234 -1.208 5.402 1.00 0.34 N ATOM 68 CA CYS A 6 12.035 -2.018 5.492 1.00 0.31 C ATOM 69 C CYS A 6 10.812 -1.132 5.502 1.00 0.24 C ATOM 70 O CYS A 6 10.835 -0.027 6.049 1.00 0.27 O ATOM 71 CB CYS A 6 12.074 -2.908 6.732 1.00 0.40 C ATOM 72 SG CYS A 6 10.627 -3.977 6.941 1.00 1.35 S ATOM 0 H CYS A 6 13.296 -0.452 6.084 1.00 0.34 H new ATOM 0 HA CYS A 6 11.986 -2.668 4.618 1.00 0.31 H new ATOM 0 HB2 CYS A 6 12.967 -3.532 6.687 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.172 -2.275 7.614 1.00 0.40 H new ATOM 0 HG CYS A 6 10.147 -4.291 5.774 1.00 1.35 H new ATOM 78 N VAL A 7 9.753 -1.611 4.879 1.00 0.24 N ATOM 79 CA VAL A 7 8.543 -0.838 4.752 1.00 0.25 C ATOM 80 C VAL A 7 7.371 -1.591 5.379 1.00 0.25 C ATOM 81 O VAL A 7 7.266 -2.815 5.263 1.00 0.31 O ATOM 82 CB VAL A 7 8.265 -0.494 3.270 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.416 0.315 2.695 1.00 0.64 C ATOM 84 CG2 VAL A 7 8.031 -1.745 2.440 1.00 0.61 C ATOM 0 H VAL A 7 9.711 -2.537 4.453 1.00 0.24 H new ATOM 0 HA VAL A 7 8.668 0.103 5.288 1.00 0.25 H new ATOM 0 HB VAL A 7 7.354 0.103 3.231 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.209 0.551 1.651 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.529 1.240 3.261 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.337 -0.265 2.760 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.839 -1.464 1.405 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.914 -2.382 2.485 1.00 0.61 H new ATOM 0 HG23 VAL A 7 7.172 -2.288 2.834 1.00 0.61 H new ATOM 94 N LYS A 8 6.516 -0.861 6.071 1.00 0.26 N ATOM 95 CA LYS A 8 5.400 -1.457 6.784 1.00 0.28 C ATOM 96 C LYS A 8 4.095 -1.024 6.144 1.00 0.28 C ATOM 97 O LYS A 8 3.808 0.165 6.063 1.00 0.38 O ATOM 98 CB LYS A 8 5.436 -1.050 8.262 1.00 0.35 C ATOM 99 CG LYS A 8 4.400 -1.759 9.128 1.00 0.61 C ATOM 100 CD LYS A 8 3.099 -0.969 9.243 1.00 0.86 C ATOM 101 CE LYS A 8 3.280 0.310 10.050 1.00 1.08 C ATOM 102 NZ LYS A 8 2.007 1.072 10.168 1.00 1.61 N ATOM 0 H LYS A 8 6.574 0.154 6.155 1.00 0.26 H new ATOM 0 HA LYS A 8 5.477 -2.543 6.727 1.00 0.28 H new ATOM 0 HB2 LYS A 8 6.429 -1.256 8.661 1.00 0.35 H new ATOM 0 HB3 LYS A 8 5.280 0.026 8.335 1.00 0.35 H new ATOM 0 HG2 LYS A 8 4.189 -2.742 8.706 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.813 -1.921 10.124 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.736 -0.721 8.246 1.00 0.86 H new ATOM 0 HD3 LYS A 8 2.337 -1.591 9.714 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.650 0.063 11.045 1.00 1.08 H new ATOM 0 HE3 LYS A 8 4.036 0.936 9.575 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 1.947 1.504 11.112 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 1.980 1.818 9.444 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 1.203 0.427 10.031 1.00 1.61 H new ATOM 116 N VAL A 9 3.307 -1.983 5.699 1.00 0.25 N ATOM 117 CA VAL A 9 2.034 -1.686 5.065 1.00 0.26 C ATOM 118 C VAL A 9 0.903 -2.048 6.013 1.00 0.23 C ATOM 119 O VAL A 9 0.946 -3.088 6.659 1.00 0.27 O ATOM 120 CB VAL A 9 1.870 -2.470 3.745 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.544 -2.137 3.082 1.00 0.89 C ATOM 122 CG2 VAL A 9 3.034 -2.190 2.803 1.00 0.77 C ATOM 0 H VAL A 9 3.525 -2.977 5.764 1.00 0.25 H new ATOM 0 HA VAL A 9 2.005 -0.621 4.835 1.00 0.26 H new ATOM 0 HB VAL A 9 1.873 -3.535 3.979 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.450 -2.701 2.154 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.274 -2.401 3.752 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.504 -1.070 2.864 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.898 -2.753 1.879 1.00 0.77 H new ATOM 0 HG22 VAL A 9 3.071 -1.124 2.577 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.967 -2.492 3.278 1.00 0.77 H new ATOM 132 N GLU A 10 -0.087 -1.179 6.129 1.00 0.21 N ATOM 133 CA GLU A 10 -1.181 -1.422 7.052 1.00 0.23 C ATOM 134 C GLU A 10 -2.501 -0.888 6.500 1.00 0.25 C ATOM 135 O GLU A 10 -2.523 -0.105 5.546 1.00 0.26 O ATOM 136 CB GLU A 10 -0.860 -0.781 8.404 1.00 0.28 C ATOM 137 CG GLU A 10 -1.620 -1.382 9.574 1.00 0.37 C ATOM 138 CD GLU A 10 -1.135 -0.859 10.908 1.00 0.48 C ATOM 139 OE1 GLU A 10 0.054 -0.489 11.012 1.00 0.99 O ATOM 140 OE2 GLU A 10 -1.940 -0.817 11.860 1.00 1.08 O ATOM 0 H GLU A 10 -0.156 -0.309 5.602 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.295 -2.498 7.183 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.209 -0.875 8.593 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -1.082 0.285 8.350 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.682 -1.162 9.465 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -1.515 -2.467 9.553 1.00 0.37 H new ATOM 147 N PHE A 11 -3.597 -1.322 7.104 1.00 0.30 N ATOM 148 CA PHE A 11 -4.926 -0.878 6.718 1.00 0.34 C ATOM 149 C PHE A 11 -5.595 -0.166 7.888 1.00 0.34 C ATOM 150 O PHE A 11 -5.581 -0.666 9.014 1.00 0.74 O ATOM 151 CB PHE A 11 -5.767 -2.074 6.269 1.00 0.74 C ATOM 152 CG PHE A 11 -5.188 -2.783 5.081 1.00 2.12 C ATOM 153 CD1 PHE A 11 -5.074 -2.137 3.862 1.00 2.89 C ATOM 154 CD2 PHE A 11 -4.746 -4.088 5.187 1.00 2.77 C ATOM 155 CE1 PHE A 11 -4.529 -2.783 2.770 1.00 4.21 C ATOM 156 CE2 PHE A 11 -4.203 -4.741 4.100 1.00 4.09 C ATOM 157 CZ PHE A 11 -4.093 -4.088 2.891 1.00 4.80 C ATOM 0 H PHE A 11 -3.589 -1.991 7.874 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.842 -0.180 5.885 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -5.859 -2.778 7.096 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -6.774 -1.733 6.027 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.415 -1.117 3.764 1.00 2.89 H new ATOM 0 HD2 PHE A 11 -4.827 -4.603 6.133 1.00 2.77 H new ATOM 0 HE1 PHE A 11 -4.444 -2.269 1.824 1.00 4.21 H new ATOM 0 HE2 PHE A 11 -3.865 -5.762 4.196 1.00 4.09 H new ATOM 0 HZ PHE A 11 -3.666 -4.596 2.039 1.00 4.80 H new ATOM 167 N GLY A 12 -6.183 0.995 7.626 1.00 0.23 N ATOM 168 CA GLY A 12 -6.721 1.801 8.706 1.00 0.39 C ATOM 169 C GLY A 12 -8.128 2.301 8.445 1.00 0.28 C ATOM 170 O GLY A 12 -8.949 2.343 9.356 1.00 0.34 O ATOM 0 H GLY A 12 -6.297 1.391 6.693 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.717 1.213 9.624 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.065 2.656 8.872 1.00 0.39 H new ATOM 174 N GLY A 13 -8.418 2.668 7.199 1.00 0.24 N ATOM 175 CA GLY A 13 -9.729 3.217 6.869 1.00 0.26 C ATOM 176 C GLY A 13 -10.802 2.151 6.746 1.00 0.29 C ATOM 177 O GLY A 13 -11.589 2.167 5.804 1.00 0.45 O ATOM 0 H GLY A 13 -7.773 2.597 6.412 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.021 3.933 7.637 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.661 3.767 5.930 1.00 0.26 H new ATOM 181 N GLY A 14 -10.833 1.221 7.695 1.00 0.28 N ATOM 182 CA GLY A 14 -11.756 0.102 7.618 1.00 0.35 C ATOM 183 C GLY A 14 -11.467 -0.768 6.415 1.00 0.36 C ATOM 184 O GLY A 14 -12.317 -1.532 5.961 1.00 0.41 O ATOM 0 H GLY A 14 -10.233 1.222 8.520 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.683 -0.495 8.527 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.779 0.475 7.562 1.00 0.35 H new ATOM 188 N ALA A 15 -10.244 -0.653 5.914 1.00 0.35 N ATOM 189 CA ALA A 15 -9.846 -1.316 4.686 1.00 0.39 C ATOM 190 C ALA A 15 -9.726 -2.818 4.896 1.00 0.39 C ATOM 191 O ALA A 15 -10.013 -3.596 3.996 1.00 0.42 O ATOM 192 CB ALA A 15 -8.538 -0.725 4.174 1.00 0.44 C ATOM 0 H ALA A 15 -9.505 -0.099 6.348 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.616 -1.150 3.933 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -8.247 -1.229 3.252 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.671 0.339 3.979 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.759 -0.862 4.924 1.00 0.44 H new ATOM 198 N GLU A 16 -9.345 -3.207 6.106 1.00 0.38 N ATOM 199 CA GLU A 16 -9.173 -4.616 6.467 1.00 0.38 C ATOM 200 C GLU A 16 -10.419 -5.444 6.178 1.00 0.36 C ATOM 201 O GLU A 16 -10.326 -6.643 5.940 1.00 0.37 O ATOM 202 CB GLU A 16 -8.826 -4.730 7.943 1.00 0.45 C ATOM 203 CG GLU A 16 -9.832 -3.999 8.824 1.00 0.57 C ATOM 204 CD GLU A 16 -9.702 -4.318 10.296 1.00 1.19 C ATOM 205 OE1 GLU A 16 -9.680 -5.515 10.642 1.00 1.54 O ATOM 206 OE2 GLU A 16 -9.616 -3.381 11.111 1.00 1.60 O ATOM 0 H GLU A 16 -9.146 -2.558 6.867 1.00 0.38 H new ATOM 0 HA GLU A 16 -8.362 -5.010 5.854 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.792 -5.782 8.227 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.830 -4.321 8.114 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.711 -2.925 8.683 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.840 -4.252 8.495 1.00 0.57 H new ATOM 213 N LEU A 17 -11.584 -4.810 6.211 1.00 0.35 N ATOM 214 CA LEU A 17 -12.846 -5.501 5.958 1.00 0.37 C ATOM 215 C LEU A 17 -12.907 -6.028 4.522 1.00 0.36 C ATOM 216 O LEU A 17 -13.793 -6.808 4.171 1.00 0.41 O ATOM 217 CB LEU A 17 -14.024 -4.568 6.236 1.00 0.39 C ATOM 218 CG LEU A 17 -14.096 -4.035 7.669 1.00 0.41 C ATOM 219 CD1 LEU A 17 -15.292 -3.113 7.836 1.00 0.88 C ATOM 220 CD2 LEU A 17 -14.167 -5.181 8.666 1.00 0.83 C ATOM 0 H LEU A 17 -11.683 -3.815 6.411 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.907 -6.356 6.632 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.969 -3.722 5.551 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.950 -5.098 6.014 1.00 0.39 H new ATOM 0 HG LEU A 17 -13.189 -3.464 7.866 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -15.327 -2.744 8.861 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -15.201 -2.271 7.150 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -16.208 -3.662 7.617 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -14.217 -4.780 9.678 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -15.056 -5.781 8.468 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -13.279 -5.805 8.567 1.00 0.83 H new ATOM 232 N LEU A 18 -11.963 -5.585 3.700 1.00 0.35 N ATOM 233 CA LEU A 18 -11.812 -6.079 2.338 1.00 0.39 C ATOM 234 C LEU A 18 -10.853 -7.263 2.310 1.00 0.42 C ATOM 235 O LEU A 18 -10.789 -8.011 1.333 1.00 0.49 O ATOM 236 CB LEU A 18 -11.250 -4.967 1.455 1.00 0.38 C ATOM 237 CG LEU A 18 -12.130 -3.723 1.333 1.00 0.42 C ATOM 238 CD1 LEU A 18 -11.347 -2.577 0.719 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.359 -4.028 0.495 1.00 0.49 C ATOM 0 H LEU A 18 -11.281 -4.873 3.960 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.787 -6.396 1.969 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.279 -4.668 1.850 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.078 -5.370 0.457 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.451 -3.427 2.332 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.989 -1.699 0.639 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.489 -2.343 1.350 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -11.000 -2.864 -0.274 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.977 -3.133 0.416 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -13.051 -4.345 -0.501 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.933 -4.825 0.968 1.00 0.49 H new ATOM 251 N PHE A 19 -10.108 -7.419 3.401 1.00 0.39 N ATOM 252 CA PHE A 19 -9.004 -8.367 3.457 1.00 0.47 C ATOM 253 C PHE A 19 -9.156 -9.337 4.632 1.00 0.60 C ATOM 254 O PHE A 19 -8.165 -9.852 5.151 1.00 0.97 O ATOM 255 CB PHE A 19 -7.690 -7.596 3.586 1.00 0.45 C ATOM 256 CG PHE A 19 -7.574 -6.456 2.615 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.294 -6.688 1.282 1.00 0.42 C ATOM 258 CD2 PHE A 19 -7.740 -5.154 3.036 1.00 0.71 C ATOM 259 CE1 PHE A 19 -7.186 -5.642 0.388 1.00 0.52 C ATOM 260 CE2 PHE A 19 -7.634 -4.105 2.150 1.00 0.75 C ATOM 261 CZ PHE A 19 -7.363 -4.353 0.819 1.00 0.59 C ATOM 0 H PHE A 19 -10.253 -6.895 4.264 1.00 0.39 H new ATOM 0 HA PHE A 19 -9.006 -8.956 2.540 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.601 -7.210 4.601 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -6.857 -8.282 3.432 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.158 -7.702 0.935 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -7.956 -4.954 4.075 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -6.962 -5.839 -0.650 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -7.763 -3.090 2.496 1.00 0.75 H new ATOM 0 HZ PHE A 19 -7.291 -3.533 0.119 1.00 0.59 H new ATOM 271 N ASP A 20 -10.402 -9.571 5.040 1.00 0.55 N ATOM 272 CA ASP A 20 -10.732 -10.541 6.096 1.00 0.69 C ATOM 273 C ASP A 20 -10.312 -10.049 7.491 1.00 0.72 C ATOM 274 O ASP A 20 -10.385 -10.789 8.473 1.00 1.07 O ATOM 275 CB ASP A 20 -10.099 -11.911 5.785 1.00 0.80 C ATOM 276 CG ASP A 20 -10.570 -13.014 6.713 1.00 1.16 C ATOM 277 OD1 ASP A 20 -11.735 -13.439 6.597 1.00 1.55 O ATOM 278 OD2 ASP A 20 -9.776 -13.463 7.568 1.00 1.28 O ATOM 0 H ASP A 20 -11.216 -9.095 4.651 1.00 0.55 H new ATOM 0 HA ASP A 20 -11.817 -10.649 6.111 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -10.333 -12.186 4.757 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -9.014 -11.826 5.854 1.00 0.80 H new ATOM 283 N GLY A 21 -9.901 -8.793 7.584 1.00 0.57 N ATOM 284 CA GLY A 21 -9.568 -8.221 8.878 1.00 0.59 C ATOM 285 C GLY A 21 -8.080 -8.168 9.150 1.00 0.59 C ATOM 286 O GLY A 21 -7.662 -7.811 10.251 1.00 0.79 O ATOM 0 H GLY A 21 -9.792 -8.160 6.792 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.976 -7.212 8.936 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -10.052 -8.806 9.660 1.00 0.59 H new ATOM 290 N VAL A 22 -7.267 -8.536 8.171 1.00 0.51 N ATOM 291 CA VAL A 22 -5.831 -8.360 8.303 1.00 0.53 C ATOM 292 C VAL A 22 -5.484 -6.916 7.968 1.00 0.45 C ATOM 293 O VAL A 22 -5.959 -6.369 6.970 1.00 0.47 O ATOM 294 CB VAL A 22 -5.020 -9.337 7.412 1.00 0.68 C ATOM 295 CG1 VAL A 22 -5.232 -9.060 5.931 1.00 1.02 C ATOM 296 CG2 VAL A 22 -3.543 -9.274 7.763 1.00 1.41 C ATOM 0 H VAL A 22 -7.571 -8.952 7.291 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.555 -8.590 9.332 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.386 -10.344 7.610 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -4.647 -9.766 5.341 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -6.288 -9.172 5.687 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -4.913 -8.043 5.702 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -2.988 -9.966 7.129 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -3.174 -8.261 7.604 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -3.405 -9.551 8.808 1.00 1.41 H new ATOM 306 N LYS A 23 -4.707 -6.280 8.825 1.00 0.48 N ATOM 307 CA LYS A 23 -4.399 -4.874 8.644 1.00 0.52 C ATOM 308 C LYS A 23 -2.918 -4.673 8.361 1.00 0.40 C ATOM 309 O LYS A 23 -2.535 -4.217 7.290 1.00 0.37 O ATOM 310 CB LYS A 23 -4.804 -4.083 9.885 1.00 0.75 C ATOM 311 CG LYS A 23 -6.197 -4.427 10.385 1.00 0.85 C ATOM 312 CD LYS A 23 -6.628 -3.513 11.516 1.00 1.06 C ATOM 313 CE LYS A 23 -5.642 -3.541 12.668 1.00 1.11 C ATOM 314 NZ LYS A 23 -5.625 -4.863 13.348 1.00 2.07 N ATOM 0 H LYS A 23 -4.281 -6.710 9.646 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.965 -4.510 7.786 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -4.083 -4.272 10.680 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.758 -3.017 9.660 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.908 -4.349 9.563 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -6.216 -5.462 10.726 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.723 -2.493 11.143 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -7.613 -3.815 11.873 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.643 -3.310 12.297 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -5.902 -2.765 13.388 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -4.990 -4.822 14.171 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -6.586 -5.103 13.664 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -5.287 -5.590 12.685 1.00 2.07 H new ATOM 328 N LYS A 24 -2.090 -5.003 9.337 1.00 0.38 N ATOM 329 CA LYS A 24 -0.654 -4.845 9.205 1.00 0.33 C ATOM 330 C LYS A 24 -0.046 -5.962 8.366 1.00 0.34 C ATOM 331 O LYS A 24 -0.367 -7.142 8.536 1.00 0.47 O ATOM 332 CB LYS A 24 -0.003 -4.819 10.588 1.00 0.43 C ATOM 333 CG LYS A 24 1.498 -4.582 10.554 1.00 0.49 C ATOM 334 CD LYS A 24 2.107 -4.691 11.940 1.00 0.66 C ATOM 335 CE LYS A 24 1.530 -3.653 12.883 1.00 1.04 C ATOM 336 NZ LYS A 24 2.024 -3.839 14.269 1.00 1.59 N ATOM 0 H LYS A 24 -2.391 -5.384 10.234 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.465 -3.900 8.695 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.472 -4.037 11.185 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.201 -5.766 11.091 1.00 0.43 H new ATOM 0 HG2 LYS A 24 1.968 -5.308 9.890 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.703 -3.594 10.142 1.00 0.49 H new ATOM 0 HD2 LYS A 24 1.926 -5.689 12.341 1.00 0.66 H new ATOM 0 HD3 LYS A 24 3.188 -4.564 11.875 1.00 0.66 H new ATOM 0 HE2 LYS A 24 1.795 -2.655 12.533 1.00 1.04 H new ATOM 0 HE3 LYS A 24 0.442 -3.716 12.873 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 1.609 -3.112 14.886 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 1.750 -4.782 14.612 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 3.060 -3.754 14.282 1.00 1.59 H new ATOM 350 N HIS A 25 0.822 -5.571 7.452 1.00 0.29 N ATOM 351 CA HIS A 25 1.564 -6.503 6.635 1.00 0.34 C ATOM 352 C HIS A 25 3.007 -6.028 6.519 1.00 0.34 C ATOM 353 O HIS A 25 3.275 -4.977 5.936 1.00 0.43 O ATOM 354 CB HIS A 25 0.917 -6.604 5.249 1.00 0.42 C ATOM 355 CG HIS A 25 1.496 -7.673 4.375 1.00 0.69 C ATOM 356 ND1 HIS A 25 1.127 -8.995 4.470 1.00 1.46 N ATOM 357 CD2 HIS A 25 2.407 -7.611 3.374 1.00 1.39 C ATOM 358 CE1 HIS A 25 1.782 -9.701 3.568 1.00 1.58 C ATOM 359 NE2 HIS A 25 2.565 -8.885 2.887 1.00 1.44 N ATOM 0 H HIS A 25 1.031 -4.592 7.257 1.00 0.29 H new ATOM 0 HA HIS A 25 1.551 -7.491 7.095 1.00 0.34 H new ATOM 0 HB2 HIS A 25 -0.150 -6.790 5.372 1.00 0.42 H new ATOM 0 HB3 HIS A 25 1.017 -5.644 4.743 1.00 0.42 H new ATOM 0 HD2 HIS A 25 2.915 -6.724 3.024 1.00 1.39 H new ATOM 0 HE1 HIS A 25 1.693 -10.766 3.413 1.00 1.58 H new ATOM 0 HE2 HIS A 25 3.185 -9.156 2.124 1.00 1.44 H new ATOM 368 N GLN A 26 3.926 -6.792 7.082 1.00 0.36 N ATOM 369 CA GLN A 26 5.335 -6.430 7.055 1.00 0.38 C ATOM 370 C GLN A 26 6.012 -7.027 5.833 1.00 0.33 C ATOM 371 O GLN A 26 5.770 -8.182 5.479 1.00 0.47 O ATOM 372 CB GLN A 26 6.039 -6.917 8.325 1.00 0.54 C ATOM 373 CG GLN A 26 7.526 -6.599 8.359 1.00 0.67 C ATOM 374 CD GLN A 26 8.259 -7.320 9.473 1.00 1.12 C ATOM 375 OE1 GLN A 26 8.364 -6.823 10.592 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.791 -8.492 9.167 1.00 1.59 N ATOM 0 H GLN A 26 3.723 -7.668 7.564 1.00 0.36 H new ATOM 0 HA GLN A 26 5.406 -5.343 7.006 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.559 -6.464 9.192 1.00 0.54 H new ATOM 0 HB3 GLN A 26 5.905 -7.995 8.414 1.00 0.54 H new ATOM 0 HG2 GLN A 26 7.972 -6.870 7.402 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.660 -5.524 8.479 1.00 0.67 H new ATOM 0 HE21 GLN A 26 8.682 -8.872 8.227 1.00 1.59 H new ATOM 0 HE22 GLN A 26 9.310 -9.016 9.872 1.00 1.59 H new ATOM 385 N VAL A 27 6.850 -6.234 5.190 1.00 0.29 N ATOM 386 CA VAL A 27 7.633 -6.709 4.069 1.00 0.29 C ATOM 387 C VAL A 27 9.043 -6.127 4.135 1.00 0.28 C ATOM 388 O VAL A 27 9.230 -4.922 4.323 1.00 0.31 O ATOM 389 CB VAL A 27 6.959 -6.377 2.713 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.739 -4.884 2.551 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.771 -6.932 1.555 1.00 0.44 C ATOM 0 H VAL A 27 7.004 -5.254 5.428 1.00 0.29 H new ATOM 0 HA VAL A 27 7.694 -7.795 4.136 1.00 0.29 H new ATOM 0 HB VAL A 27 5.980 -6.857 2.706 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.265 -4.688 1.589 1.00 0.44 H new ATOM 0 HG12 VAL A 27 6.096 -4.522 3.353 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.698 -4.368 2.594 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.278 -6.686 0.614 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.769 -6.493 1.567 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.849 -8.015 1.652 1.00 0.44 H new ATOM 401 N ALA A 28 10.034 -6.994 4.037 1.00 0.31 N ATOM 402 CA ALA A 28 11.417 -6.572 4.130 1.00 0.33 C ATOM 403 C ALA A 28 12.033 -6.450 2.747 1.00 0.28 C ATOM 404 O ALA A 28 11.797 -7.287 1.874 1.00 0.29 O ATOM 405 CB ALA A 28 12.210 -7.538 4.994 1.00 0.41 C ATOM 0 H ALA A 28 9.905 -7.996 3.893 1.00 0.31 H new ATOM 0 HA ALA A 28 11.448 -5.590 4.601 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.247 -7.206 5.053 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.780 -7.567 5.995 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.173 -8.535 4.554 1.00 0.41 H new ATOM 411 N LEU A 29 12.813 -5.400 2.552 1.00 0.28 N ATOM 412 CA LEU A 29 13.417 -5.124 1.262 1.00 0.28 C ATOM 413 C LEU A 29 14.672 -5.965 1.074 1.00 0.32 C ATOM 414 O LEU A 29 15.447 -6.157 2.012 1.00 0.36 O ATOM 415 CB LEU A 29 13.743 -3.631 1.136 1.00 0.35 C ATOM 416 CG LEU A 29 12.566 -2.719 0.751 1.00 0.38 C ATOM 417 CD1 LEU A 29 12.228 -2.914 -0.712 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.340 -2.986 1.612 1.00 1.04 C ATOM 0 H LEU A 29 13.043 -4.721 3.277 1.00 0.28 H new ATOM 0 HA LEU A 29 12.706 -5.389 0.479 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.150 -3.286 2.087 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.529 -3.512 0.391 1.00 0.35 H new ATOM 0 HG LEU A 29 12.869 -1.686 0.924 1.00 0.38 H new ATOM 0 HD11 LEU A 29 11.394 -2.267 -0.982 1.00 1.13 H new ATOM 0 HD12 LEU A 29 13.095 -2.662 -1.322 1.00 1.13 H new ATOM 0 HD13 LEU A 29 11.951 -3.954 -0.886 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.531 -2.322 1.309 1.00 1.04 H new ATOM 0 HD22 LEU A 29 11.026 -4.022 1.486 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.584 -2.806 2.659 1.00 1.04 H new ATOM 430 N PRO A 30 14.870 -6.490 -0.144 1.00 0.38 N ATOM 431 CA PRO A 30 15.998 -7.374 -0.472 1.00 0.53 C ATOM 432 C PRO A 30 17.360 -6.696 -0.334 1.00 0.76 C ATOM 433 O PRO A 30 18.364 -7.356 -0.063 1.00 1.64 O ATOM 434 CB PRO A 30 15.745 -7.749 -1.941 1.00 0.52 C ATOM 435 CG PRO A 30 14.303 -7.464 -2.169 1.00 0.51 C ATOM 436 CD PRO A 30 13.990 -6.282 -1.303 1.00 0.41 C ATOM 0 HA PRO A 30 16.041 -8.224 0.209 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.374 -7.163 -2.612 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.974 -8.799 -2.125 1.00 0.52 H new ATOM 0 HG2 PRO A 30 14.107 -7.245 -3.219 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.686 -8.322 -1.901 1.00 0.51 H new ATOM 0 HD2 PRO A 30 14.203 -5.341 -1.810 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.939 -6.258 -1.015 1.00 0.41 H new ATOM 444 N GLY A 31 17.394 -5.383 -0.513 1.00 0.79 N ATOM 445 CA GLY A 31 18.654 -4.676 -0.524 1.00 0.88 C ATOM 446 C GLY A 31 19.416 -4.940 -1.796 1.00 1.01 C ATOM 447 O GLY A 31 20.559 -5.398 -1.762 1.00 1.64 O ATOM 0 H GLY A 31 16.571 -4.797 -0.651 1.00 0.79 H new ATOM 0 HA2 GLY A 31 18.474 -3.606 -0.420 1.00 0.88 H new ATOM 0 HA3 GLY A 31 19.254 -4.983 0.333 1.00 0.88 H new ATOM 451 N GLN A 32 18.776 -4.659 -2.921 1.00 1.08 N ATOM 452 CA GLN A 32 19.354 -4.953 -4.221 1.00 1.37 C ATOM 453 C GLN A 32 18.614 -4.217 -5.332 1.00 1.07 C ATOM 454 O GLN A 32 19.160 -3.316 -5.969 1.00 1.59 O ATOM 455 CB GLN A 32 19.315 -6.463 -4.479 1.00 2.00 C ATOM 456 CG GLN A 32 19.960 -6.884 -5.787 1.00 2.66 C ATOM 457 CD GLN A 32 19.884 -8.382 -6.021 1.00 3.34 C ATOM 458 OE1 GLN A 32 18.835 -9.014 -5.516 1.00 3.88 O flip ATOM 459 NE2 GLN A 32 20.757 -8.971 -6.649 1.00 3.82 N flip ATOM 0 H GLN A 32 17.853 -4.226 -2.958 1.00 1.08 H new ATOM 0 HA GLN A 32 20.389 -4.611 -4.218 1.00 1.37 H new ATOM 0 HB2 GLN A 32 19.817 -6.974 -3.658 1.00 2.00 H new ATOM 0 HB3 GLN A 32 18.277 -6.795 -4.475 1.00 2.00 H new ATOM 0 HG2 GLN A 32 19.471 -6.366 -6.612 1.00 2.66 H new ATOM 0 HG3 GLN A 32 21.004 -6.572 -5.789 1.00 2.66 H new ATOM 0 HE21 GLN A 32 21.552 -8.454 -7.025 1.00 3.82 H new ATOM 0 HE22 GLN A 32 20.688 -9.978 -6.796 1.00 3.82 H new ATOM 468 N GLU A 33 17.368 -4.612 -5.562 1.00 0.97 N ATOM 469 CA GLU A 33 16.574 -4.046 -6.647 1.00 0.88 C ATOM 470 C GLU A 33 15.380 -3.276 -6.095 1.00 0.88 C ATOM 471 O GLU A 33 14.812 -2.422 -6.776 1.00 1.63 O ATOM 472 CB GLU A 33 16.082 -5.165 -7.567 1.00 1.23 C ATOM 473 CG GLU A 33 17.176 -6.135 -7.970 1.00 1.72 C ATOM 474 CD GLU A 33 16.667 -7.279 -8.821 1.00 2.31 C ATOM 475 OE1 GLU A 33 15.744 -7.995 -8.380 1.00 2.65 O ATOM 476 OE2 GLU A 33 17.190 -7.468 -9.937 1.00 3.02 O ATOM 0 H GLU A 33 16.885 -5.322 -5.012 1.00 0.97 H new ATOM 0 HA GLU A 33 17.202 -3.358 -7.212 1.00 0.88 H new ATOM 0 HB2 GLU A 33 15.286 -5.715 -7.065 1.00 1.23 H new ATOM 0 HB3 GLU A 33 15.648 -4.724 -8.464 1.00 1.23 H new ATOM 0 HG2 GLU A 33 17.948 -5.596 -8.519 1.00 1.72 H new ATOM 0 HG3 GLU A 33 17.646 -6.538 -7.073 1.00 1.72 H new ATOM 483 N GLU A 34 15.040 -3.581 -4.842 1.00 0.54 N ATOM 484 CA GLU A 34 13.855 -3.040 -4.164 1.00 0.56 C ATOM 485 C GLU A 34 12.643 -3.025 -5.086 1.00 0.48 C ATOM 486 O GLU A 34 12.225 -1.975 -5.565 1.00 0.58 O ATOM 487 CB GLU A 34 14.109 -1.641 -3.570 1.00 0.72 C ATOM 488 CG GLU A 34 15.081 -1.632 -2.384 1.00 0.96 C ATOM 489 CD GLU A 34 16.314 -2.492 -2.592 1.00 1.55 C ATOM 490 OE1 GLU A 34 16.231 -3.722 -2.373 1.00 2.31 O ATOM 491 OE2 GLU A 34 17.365 -1.952 -2.980 1.00 1.97 O ATOM 0 H GLU A 34 15.584 -4.218 -4.260 1.00 0.54 H new ATOM 0 HA GLU A 34 13.640 -3.711 -3.332 1.00 0.56 H new ATOM 0 HB2 GLU A 34 14.501 -0.991 -4.353 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.158 -1.216 -3.250 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.394 -0.606 -2.192 1.00 0.96 H new ATOM 0 HG3 GLU A 34 14.555 -1.977 -1.494 1.00 0.96 H new ATOM 498 N PRO A 35 12.068 -4.208 -5.348 1.00 0.41 N ATOM 499 CA PRO A 35 10.912 -4.350 -6.216 1.00 0.40 C ATOM 500 C PRO A 35 9.618 -4.242 -5.429 1.00 0.35 C ATOM 501 O PRO A 35 8.554 -4.666 -5.879 1.00 0.39 O ATOM 502 CB PRO A 35 11.088 -5.756 -6.771 1.00 0.48 C ATOM 503 CG PRO A 35 11.797 -6.521 -5.696 1.00 0.50 C ATOM 504 CD PRO A 35 12.492 -5.512 -4.809 1.00 0.46 C ATOM 0 HA PRO A 35 10.851 -3.578 -6.984 1.00 0.40 H new ATOM 0 HB2 PRO A 35 10.125 -6.209 -7.006 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.669 -5.745 -7.693 1.00 0.48 H new ATOM 0 HG2 PRO A 35 11.090 -7.117 -5.119 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.519 -7.213 -6.129 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.196 -5.628 -3.766 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.575 -5.626 -4.848 1.00 0.46 H new ATOM 512 N TRP A 36 9.729 -3.677 -4.243 1.00 0.30 N ATOM 513 CA TRP A 36 8.601 -3.556 -3.341 1.00 0.27 C ATOM 514 C TRP A 36 7.962 -2.177 -3.451 1.00 0.24 C ATOM 515 O TRP A 36 7.357 -1.694 -2.495 1.00 0.25 O ATOM 516 CB TRP A 36 9.042 -3.838 -1.894 1.00 0.28 C ATOM 517 CG TRP A 36 9.458 -5.266 -1.649 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.347 -5.702 -0.709 1.00 0.32 C ATOM 519 CD2 TRP A 36 9.007 -6.443 -2.344 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.475 -7.066 -0.770 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.663 -7.546 -1.761 1.00 0.34 C ATOM 522 CE3 TRP A 36 8.110 -6.676 -3.396 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.455 -8.853 -2.196 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.906 -7.973 -3.822 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.572 -9.047 -3.221 1.00 0.42 C ATOM 0 H TRP A 36 10.600 -3.290 -3.879 1.00 0.30 H new ATOM 0 HA TRP A 36 7.853 -4.296 -3.626 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.874 -3.180 -1.643 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.223 -3.588 -1.220 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.874 -5.063 -0.016 1.00 0.32 H new ATOM 0 HE1 TRP A 36 11.078 -7.632 -0.173 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.588 -5.855 -3.865 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 9.973 -9.683 -1.740 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.220 -8.162 -4.634 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.384 -10.050 -3.574 1.00 0.42 H new ATOM 536 N ASP A 37 8.079 -1.555 -4.626 1.00 0.24 N ATOM 537 CA ASP A 37 7.477 -0.244 -4.854 1.00 0.21 C ATOM 538 C ASP A 37 5.984 -0.322 -4.572 1.00 0.21 C ATOM 539 O ASP A 37 5.381 -1.394 -4.692 1.00 0.24 O ATOM 540 CB ASP A 37 7.690 0.258 -6.296 1.00 0.25 C ATOM 541 CG ASP A 37 9.045 -0.112 -6.878 1.00 0.82 C ATOM 542 OD1 ASP A 37 9.279 -1.304 -7.158 1.00 1.59 O ATOM 543 OD2 ASP A 37 9.892 0.795 -7.026 1.00 1.21 O ATOM 0 H ASP A 37 8.582 -1.936 -5.428 1.00 0.24 H new ATOM 0 HA ASP A 37 7.965 0.462 -4.182 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.907 -0.152 -6.933 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.581 1.342 -6.314 1.00 0.25 H new ATOM 548 N ILE A 38 5.393 0.812 -4.233 1.00 0.20 N ATOM 549 CA ILE A 38 4.007 0.864 -3.775 1.00 0.20 C ATOM 550 C ILE A 38 3.057 0.178 -4.758 1.00 0.20 C ATOM 551 O ILE A 38 2.141 -0.533 -4.346 1.00 0.23 O ATOM 552 CB ILE A 38 3.552 2.326 -3.547 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.578 3.070 -2.686 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.178 2.372 -2.895 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.830 2.439 -1.331 1.00 0.24 C ATOM 0 H ILE A 38 5.855 1.721 -4.266 1.00 0.20 H new ATOM 0 HA ILE A 38 3.967 0.325 -2.828 1.00 0.20 H new ATOM 0 HB ILE A 38 3.482 2.819 -4.517 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.521 3.123 -3.230 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.237 4.095 -2.539 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.881 3.410 -2.745 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.452 1.876 -3.540 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.215 1.863 -1.932 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.568 3.028 -0.787 1.00 0.24 H new ATOM 0 HD12 ILE A 38 3.899 2.410 -0.764 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.204 1.424 -1.466 1.00 0.24 H new ATOM 567 N ARG A 39 3.296 0.365 -6.057 1.00 0.19 N ATOM 568 CA ARG A 39 2.429 -0.215 -7.076 1.00 0.20 C ATOM 569 C ARG A 39 2.450 -1.753 -7.011 1.00 0.19 C ATOM 570 O ARG A 39 1.437 -2.398 -7.262 1.00 0.25 O ATOM 571 CB ARG A 39 2.808 0.291 -8.487 1.00 0.31 C ATOM 572 CG ARG A 39 3.402 -0.760 -9.423 1.00 0.99 C ATOM 573 CD ARG A 39 4.885 -0.982 -9.165 1.00 1.11 C ATOM 574 NE ARG A 39 5.709 0.119 -9.660 1.00 1.63 N ATOM 575 CZ ARG A 39 6.994 -0.006 -9.996 1.00 2.06 C ATOM 576 NH1 ARG A 39 7.568 -1.204 -10.004 1.00 2.03 N ATOM 577 NH2 ARG A 39 7.689 1.056 -10.373 1.00 2.62 N ATOM 0 H ARG A 39 4.077 0.909 -6.423 1.00 0.19 H new ATOM 0 HA ARG A 39 1.410 0.112 -6.871 1.00 0.20 H new ATOM 0 HB2 ARG A 39 1.917 0.709 -8.956 1.00 0.31 H new ATOM 0 HB3 ARG A 39 3.524 1.106 -8.382 1.00 0.31 H new ATOM 0 HG2 ARG A 39 2.867 -1.701 -9.296 1.00 0.99 H new ATOM 0 HG3 ARG A 39 3.257 -0.448 -10.457 1.00 0.99 H new ATOM 0 HD2 ARG A 39 5.050 -1.103 -8.094 1.00 1.11 H new ATOM 0 HD3 ARG A 39 5.199 -1.910 -9.643 1.00 1.11 H new ATOM 0 HE ARG A 39 5.276 1.038 -9.754 1.00 1.63 H new ATOM 0 HH11 ARG A 39 7.026 -2.031 -9.753 1.00 2.03 H new ATOM 0 HH12 ARG A 39 8.551 -1.297 -10.261 1.00 2.03 H new ATOM 0 HH21 ARG A 39 7.242 1.972 -10.407 1.00 2.62 H new ATOM 0 HH22 ARG A 39 8.671 0.958 -10.629 1.00 2.62 H new ATOM 591 N ASN A 40 3.597 -2.329 -6.637 1.00 0.17 N ATOM 592 CA ASN A 40 3.749 -3.788 -6.594 1.00 0.18 C ATOM 593 C ASN A 40 2.993 -4.350 -5.411 1.00 0.18 C ATOM 594 O ASN A 40 2.334 -5.385 -5.504 1.00 0.22 O ATOM 595 CB ASN A 40 5.221 -4.208 -6.463 1.00 0.22 C ATOM 596 CG ASN A 40 6.111 -3.655 -7.556 1.00 0.40 C ATOM 597 OD1 ASN A 40 6.840 -2.607 -7.226 1.00 0.69 O flip ATOM 598 ND2 ASN A 40 6.162 -4.175 -8.669 1.00 0.59 N flip ATOM 0 H ASN A 40 4.431 -1.810 -6.361 1.00 0.17 H new ATOM 0 HA ASN A 40 3.352 -4.178 -7.531 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.600 -3.877 -5.496 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.281 -5.296 -6.473 1.00 0.22 H new ATOM 0 HD21 ASN A 40 5.580 -4.985 -8.881 1.00 0.59 H new ATOM 0 HD22 ASN A 40 6.787 -3.796 -9.381 1.00 0.59 H new ATOM 605 N LEU A 41 3.095 -3.648 -4.296 1.00 0.18 N ATOM 606 CA LEU A 41 2.468 -4.076 -3.060 1.00 0.19 C ATOM 607 C LEU A 41 0.965 -3.980 -3.166 1.00 0.19 C ATOM 608 O LEU A 41 0.242 -4.782 -2.583 1.00 0.21 O ATOM 609 CB LEU A 41 2.984 -3.241 -1.894 1.00 0.21 C ATOM 610 CG LEU A 41 4.262 -3.773 -1.249 1.00 0.26 C ATOM 611 CD1 LEU A 41 3.948 -5.013 -0.431 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.305 -4.108 -2.308 1.00 0.29 C ATOM 0 H LEU A 41 3.611 -2.771 -4.223 1.00 0.18 H new ATOM 0 HA LEU A 41 2.727 -5.119 -2.879 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.165 -2.225 -2.244 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.206 -3.183 -1.133 1.00 0.21 H new ATOM 0 HG LEU A 41 4.666 -2.998 -0.598 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.863 -5.388 0.027 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.229 -4.762 0.349 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.526 -5.780 -1.080 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.206 -4.485 -1.825 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.909 -4.869 -2.981 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.547 -3.210 -2.877 1.00 0.29 H new ATOM 624 N LEU A 42 0.499 -3.006 -3.927 1.00 0.19 N ATOM 625 CA LEU A 42 -0.915 -2.891 -4.212 1.00 0.23 C ATOM 626 C LEU A 42 -1.373 -4.132 -4.957 1.00 0.21 C ATOM 627 O LEU A 42 -2.420 -4.681 -4.660 1.00 0.26 O ATOM 628 CB LEU A 42 -1.189 -1.643 -5.043 1.00 0.30 C ATOM 629 CG LEU A 42 -2.645 -1.178 -5.094 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.699 0.208 -5.671 1.00 0.91 C ATOM 631 CD2 LEU A 42 -3.516 -2.105 -5.930 1.00 0.82 C ATOM 0 H LEU A 42 1.080 -2.286 -4.357 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.468 -2.804 -3.277 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.582 -0.828 -4.649 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.852 -1.828 -6.063 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.034 -1.189 -4.076 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.735 0.546 -5.710 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -2.120 0.886 -5.044 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -2.282 0.199 -6.678 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -4.541 -1.734 -5.936 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -3.136 -2.139 -6.951 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -3.496 -3.107 -5.502 1.00 0.82 H new ATOM 643 N VAL A 43 -0.564 -4.577 -5.908 1.00 0.20 N ATOM 644 CA VAL A 43 -0.873 -5.767 -6.683 1.00 0.22 C ATOM 645 C VAL A 43 -0.956 -6.965 -5.766 1.00 0.22 C ATOM 646 O VAL A 43 -1.923 -7.719 -5.815 1.00 0.24 O ATOM 647 CB VAL A 43 0.186 -6.037 -7.767 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.163 -7.284 -8.560 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.328 -4.837 -8.682 1.00 0.32 C ATOM 0 H VAL A 43 0.316 -4.128 -6.161 1.00 0.20 H new ATOM 0 HA VAL A 43 -1.830 -5.598 -7.176 1.00 0.22 H new ATOM 0 HB VAL A 43 1.145 -6.207 -7.277 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.598 -7.456 -9.321 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.206 -8.142 -7.889 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.132 -7.150 -9.041 1.00 0.31 H new ATOM 0 HG21 VAL A 43 1.081 -5.046 -9.442 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.628 -4.632 -9.165 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.633 -3.968 -8.098 1.00 0.32 H new ATOM 659 N TRP A 44 0.051 -7.112 -4.918 1.00 0.23 N ATOM 660 CA TRP A 44 0.077 -8.183 -3.941 1.00 0.27 C ATOM 661 C TRP A 44 -1.190 -8.145 -3.095 1.00 0.28 C ATOM 662 O TRP A 44 -1.862 -9.158 -2.911 1.00 0.33 O ATOM 663 CB TRP A 44 1.307 -8.049 -3.037 1.00 0.31 C ATOM 664 CG TRP A 44 1.481 -9.210 -2.108 1.00 0.41 C ATOM 665 CD1 TRP A 44 0.939 -9.356 -0.862 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.245 -10.392 -2.356 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.312 -10.563 -0.327 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.121 -11.215 -1.222 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.023 -10.835 -3.430 1.00 0.65 C ATOM 670 CZ2 TRP A 44 2.744 -12.457 -1.133 1.00 0.76 C ATOM 671 CZ3 TRP A 44 3.643 -12.067 -3.339 1.00 0.81 C ATOM 672 CH2 TRP A 44 3.500 -12.864 -2.197 1.00 0.85 C ATOM 0 H TRP A 44 0.864 -6.497 -4.889 1.00 0.23 H new ATOM 0 HA TRP A 44 0.129 -9.135 -4.468 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.198 -7.951 -3.657 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.223 -7.133 -2.453 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.310 -8.628 -0.371 1.00 0.45 H new ATOM 0 HE1 TRP A 44 1.033 -10.918 0.588 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.137 -10.226 -4.314 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 2.634 -13.076 -0.255 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 4.247 -12.420 -4.162 1.00 0.81 H new ATOM 0 HH2 TRP A 44 3.998 -13.822 -2.156 1.00 0.85 H new ATOM 683 N ILE A 45 -1.527 -6.958 -2.615 1.00 0.26 N ATOM 684 CA ILE A 45 -2.699 -6.776 -1.770 1.00 0.29 C ATOM 685 C ILE A 45 -3.978 -7.012 -2.571 1.00 0.31 C ATOM 686 O ILE A 45 -4.930 -7.619 -2.088 1.00 0.37 O ATOM 687 CB ILE A 45 -2.708 -5.361 -1.148 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.597 -5.240 -0.101 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.062 -5.042 -0.535 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.484 -3.861 0.514 1.00 0.47 C ATOM 0 H ILE A 45 -1.003 -6.102 -2.797 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.655 -7.507 -0.963 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.523 -4.636 -1.940 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.776 -5.967 0.691 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.645 -5.500 -0.563 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.040 -4.041 -0.105 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.831 -5.089 -1.306 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.288 -5.768 0.246 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.676 -3.854 1.245 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.273 -3.130 -0.267 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.422 -3.604 1.007 1.00 0.47 H new ATOM 702 N LYS A 46 -3.972 -6.550 -3.804 1.00 0.29 N ATOM 703 CA LYS A 46 -5.116 -6.671 -4.690 1.00 0.35 C ATOM 704 C LYS A 46 -5.404 -8.137 -5.011 1.00 0.39 C ATOM 705 O LYS A 46 -6.491 -8.636 -4.724 1.00 0.44 O ATOM 706 CB LYS A 46 -4.847 -5.861 -5.964 1.00 0.39 C ATOM 707 CG LYS A 46 -5.926 -5.943 -7.029 1.00 0.91 C ATOM 708 CD LYS A 46 -5.859 -4.728 -7.944 1.00 0.91 C ATOM 709 CE LYS A 46 -6.598 -4.951 -9.252 1.00 1.26 C ATOM 710 NZ LYS A 46 -5.808 -5.787 -10.193 1.00 1.93 N ATOM 0 H LYS A 46 -3.171 -6.078 -4.224 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.003 -6.273 -4.197 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -4.712 -4.815 -5.687 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -3.906 -6.200 -6.398 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -5.801 -6.854 -7.614 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -6.908 -5.999 -6.558 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -6.285 -3.866 -7.431 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -4.816 -4.491 -8.154 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -7.555 -5.433 -9.052 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -6.817 -3.989 -9.715 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -6.329 -5.890 -11.087 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -4.891 -5.331 -10.377 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -5.650 -6.726 -9.775 1.00 1.93 H new ATOM 724 N LYS A 47 -4.414 -8.836 -5.549 1.00 0.41 N ATOM 725 CA LYS A 47 -4.614 -10.220 -5.982 1.00 0.52 C ATOM 726 C LYS A 47 -4.707 -11.189 -4.804 1.00 0.57 C ATOM 727 O LYS A 47 -5.500 -12.130 -4.839 1.00 0.78 O ATOM 728 CB LYS A 47 -3.505 -10.676 -6.940 1.00 0.65 C ATOM 729 CG LYS A 47 -2.103 -10.597 -6.359 1.00 1.31 C ATOM 730 CD LYS A 47 -1.063 -11.279 -7.245 1.00 1.66 C ATOM 731 CE LYS A 47 -1.005 -10.692 -8.654 1.00 2.33 C ATOM 732 NZ LYS A 47 -2.062 -11.248 -9.548 1.00 2.96 N ATOM 0 H LYS A 47 -3.471 -8.476 -5.697 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.567 -10.237 -6.510 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -3.703 -11.704 -7.242 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.547 -10.065 -7.842 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -1.829 -9.551 -6.222 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -2.095 -11.061 -5.373 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -0.082 -11.190 -6.779 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -1.290 -12.343 -7.309 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -1.114 -9.609 -8.598 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -0.025 -10.892 -9.087 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -1.624 -11.614 -10.417 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -2.559 -12.020 -9.059 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -2.740 -10.498 -9.791 1.00 2.96 H new ATOM 746 N ASN A 48 -3.912 -10.965 -3.765 1.00 0.50 N ATOM 747 CA ASN A 48 -3.848 -11.910 -2.653 1.00 0.58 C ATOM 748 C ASN A 48 -4.816 -11.546 -1.536 1.00 0.58 C ATOM 749 O ASN A 48 -5.600 -12.386 -1.096 1.00 0.77 O ATOM 750 CB ASN A 48 -2.421 -12.006 -2.104 1.00 0.61 C ATOM 751 CG ASN A 48 -2.337 -12.820 -0.824 1.00 1.41 C ATOM 752 OD1 ASN A 48 -2.369 -12.274 0.278 1.00 2.21 O ATOM 753 ND2 ASN A 48 -2.253 -14.132 -0.962 1.00 2.09 N ATOM 0 H ASN A 48 -3.309 -10.148 -3.667 1.00 0.50 H new ATOM 0 HA ASN A 48 -4.145 -12.883 -3.044 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.776 -12.456 -2.858 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -2.040 -11.002 -1.917 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -2.212 -14.730 -0.137 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -2.229 -14.546 -1.894 1.00 2.09 H new ATOM 760 N LEU A 49 -4.784 -10.302 -1.088 1.00 0.42 N ATOM 761 CA LEU A 49 -5.558 -9.911 0.084 1.00 0.44 C ATOM 762 C LEU A 49 -7.023 -9.627 -0.234 1.00 0.39 C ATOM 763 O LEU A 49 -7.892 -9.967 0.569 1.00 0.39 O ATOM 764 CB LEU A 49 -4.945 -8.696 0.786 1.00 0.50 C ATOM 765 CG LEU A 49 -3.752 -8.970 1.705 1.00 0.57 C ATOM 766 CD1 LEU A 49 -3.489 -7.757 2.590 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.988 -10.214 2.554 1.00 1.10 C ATOM 0 H LEU A 49 -4.238 -9.551 -1.511 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.523 -10.771 0.753 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -4.632 -7.983 0.023 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -5.725 -8.212 1.374 1.00 0.50 H new ATOM 0 HG LEU A 49 -2.874 -9.153 1.086 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -2.639 -7.959 3.241 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -3.270 -6.891 1.965 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -4.371 -7.552 3.197 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -3.125 -10.385 3.197 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -4.876 -10.071 3.169 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.132 -11.077 1.903 1.00 1.10 H new ATOM 779 N LEU A 50 -7.313 -9.009 -1.384 1.00 0.39 N ATOM 780 CA LEU A 50 -8.686 -8.603 -1.683 1.00 0.39 C ATOM 781 C LEU A 50 -9.589 -9.832 -1.757 1.00 0.41 C ATOM 782 O LEU A 50 -9.491 -10.636 -2.688 1.00 0.50 O ATOM 783 CB LEU A 50 -8.759 -7.803 -2.992 1.00 0.47 C ATOM 784 CG LEU A 50 -9.764 -6.640 -3.005 1.00 0.44 C ATOM 785 CD1 LEU A 50 -11.147 -7.101 -2.588 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.295 -5.524 -2.097 1.00 0.62 C ATOM 0 H LEU A 50 -6.630 -8.784 -2.108 1.00 0.39 H new ATOM 0 HA LEU A 50 -9.032 -7.954 -0.879 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.768 -7.405 -3.209 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -9.012 -8.488 -3.801 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.824 -6.266 -4.027 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.834 -6.255 -2.608 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.498 -7.869 -3.277 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -11.105 -7.511 -1.579 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -10.019 -4.709 -2.119 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.201 -5.899 -1.078 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.327 -5.159 -2.440 1.00 0.62 H new ATOM 798 N LYS A 51 -10.446 -9.983 -0.756 1.00 0.40 N ATOM 799 CA LYS A 51 -11.319 -11.143 -0.658 1.00 0.47 C ATOM 800 C LYS A 51 -12.502 -11.025 -1.613 1.00 0.52 C ATOM 801 O LYS A 51 -12.938 -12.018 -2.199 1.00 0.63 O ATOM 802 CB LYS A 51 -11.812 -11.309 0.782 1.00 0.52 C ATOM 803 CG LYS A 51 -10.688 -11.469 1.793 1.00 0.57 C ATOM 804 CD LYS A 51 -9.901 -12.752 1.566 1.00 1.08 C ATOM 805 CE LYS A 51 -8.792 -12.913 2.596 1.00 1.81 C ATOM 806 NZ LYS A 51 -8.014 -14.163 2.389 1.00 2.26 N ATOM 0 H LYS A 51 -10.555 -9.311 0.004 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.746 -12.025 -0.942 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.414 -10.442 1.054 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.465 -12.180 0.836 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -10.015 -10.614 1.727 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -11.103 -11.471 2.801 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -10.574 -13.608 1.617 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -9.471 -12.745 0.564 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -8.121 -12.056 2.543 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -9.225 -12.917 3.596 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -7.270 -14.232 3.112 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -8.648 -14.983 2.465 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -7.579 -14.149 1.444 1.00 2.26 H new ATOM 820 N GLU A 52 -13.021 -9.815 -1.770 1.00 0.52 N ATOM 821 CA GLU A 52 -14.147 -9.581 -2.665 1.00 0.59 C ATOM 822 C GLU A 52 -13.662 -8.988 -3.988 1.00 0.58 C ATOM 823 O GLU A 52 -12.550 -9.280 -4.432 1.00 0.72 O ATOM 824 CB GLU A 52 -15.189 -8.674 -1.994 1.00 0.66 C ATOM 825 CG GLU A 52 -14.667 -7.318 -1.545 1.00 0.64 C ATOM 826 CD GLU A 52 -15.749 -6.493 -0.877 1.00 0.90 C ATOM 827 OE1 GLU A 52 -16.508 -5.813 -1.596 1.00 1.15 O ATOM 828 OE2 GLU A 52 -15.835 -6.505 0.370 1.00 1.16 O ATOM 0 H GLU A 52 -12.681 -8.981 -1.290 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.627 -10.535 -2.882 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -16.014 -8.517 -2.689 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.597 -9.194 -1.128 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.837 -7.459 -0.852 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -14.275 -6.776 -2.406 1.00 0.64 H new ATOM 835 N ARG A 53 -14.499 -8.185 -4.631 1.00 0.65 N ATOM 836 CA ARG A 53 -14.150 -7.584 -5.910 1.00 0.68 C ATOM 837 C ARG A 53 -13.504 -6.212 -5.711 1.00 0.59 C ATOM 838 O ARG A 53 -14.050 -5.354 -5.024 1.00 0.65 O ATOM 839 CB ARG A 53 -15.391 -7.479 -6.800 1.00 0.87 C ATOM 840 CG ARG A 53 -15.875 -8.825 -7.317 1.00 1.34 C ATOM 841 CD ARG A 53 -17.214 -8.715 -8.031 1.00 1.78 C ATOM 842 NE ARG A 53 -17.521 -9.925 -8.795 1.00 2.46 N ATOM 843 CZ ARG A 53 -18.589 -10.700 -8.599 1.00 3.32 C ATOM 844 NH1 ARG A 53 -19.474 -10.413 -7.652 1.00 3.80 N ATOM 845 NH2 ARG A 53 -18.766 -11.769 -9.361 1.00 4.10 N ATOM 0 H ARG A 53 -15.426 -7.935 -4.287 1.00 0.65 H new ATOM 0 HA ARG A 53 -13.421 -8.225 -6.406 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.194 -7.003 -6.237 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.168 -6.831 -7.647 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -15.133 -9.239 -8.000 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -15.965 -9.522 -6.484 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -18.003 -8.536 -7.300 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -17.200 -7.855 -8.701 1.00 1.78 H new ATOM 0 HE ARG A 53 -16.870 -10.196 -9.532 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -19.342 -9.591 -7.063 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -20.286 -11.015 -7.514 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -18.089 -11.993 -10.090 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -19.579 -12.368 -9.219 1.00 4.10 H new ATOM 859 N PRO A 54 -12.324 -6.000 -6.323 1.00 0.55 N ATOM 860 CA PRO A 54 -11.546 -4.747 -6.208 1.00 0.53 C ATOM 861 C PRO A 54 -12.247 -3.515 -6.787 1.00 0.57 C ATOM 862 O PRO A 54 -11.685 -2.422 -6.795 1.00 0.59 O ATOM 863 CB PRO A 54 -10.297 -5.033 -7.041 1.00 0.61 C ATOM 864 CG PRO A 54 -10.207 -6.515 -7.108 1.00 0.68 C ATOM 865 CD PRO A 54 -11.627 -6.989 -7.159 1.00 0.65 C ATOM 0 HA PRO A 54 -11.372 -4.507 -5.159 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -10.379 -4.598 -8.037 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.408 -4.605 -6.578 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -9.652 -6.837 -7.989 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -9.687 -6.918 -6.239 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.014 -7.003 -8.178 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -11.732 -8.000 -6.764 1.00 0.65 H new ATOM 873 N GLU A 55 -13.456 -3.704 -7.284 1.00 0.64 N ATOM 874 CA GLU A 55 -14.236 -2.622 -7.885 1.00 0.75 C ATOM 875 C GLU A 55 -14.431 -1.460 -6.913 1.00 0.69 C ATOM 876 O GLU A 55 -14.286 -0.295 -7.284 1.00 0.80 O ATOM 877 CB GLU A 55 -15.607 -3.143 -8.322 1.00 0.92 C ATOM 878 CG GLU A 55 -15.549 -4.356 -9.235 1.00 1.39 C ATOM 879 CD GLU A 55 -14.884 -4.061 -10.560 1.00 1.89 C ATOM 880 OE1 GLU A 55 -15.453 -3.284 -11.356 1.00 2.27 O ATOM 881 OE2 GLU A 55 -13.780 -4.593 -10.805 1.00 2.43 O ATOM 0 H GLU A 55 -13.929 -4.607 -7.286 1.00 0.64 H new ATOM 0 HA GLU A 55 -13.679 -2.260 -8.749 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -16.187 -3.397 -7.435 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -16.142 -2.342 -8.833 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -15.008 -5.158 -8.733 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -16.561 -4.719 -9.414 1.00 1.39 H new ATOM 888 N LEU A 56 -14.774 -1.778 -5.674 1.00 0.64 N ATOM 889 CA LEU A 56 -14.981 -0.757 -4.652 1.00 0.68 C ATOM 890 C LEU A 56 -13.669 -0.429 -3.952 1.00 0.59 C ATOM 891 O LEU A 56 -13.610 0.424 -3.068 1.00 0.69 O ATOM 892 CB LEU A 56 -16.073 -1.165 -3.634 1.00 0.81 C ATOM 893 CG LEU A 56 -16.137 -2.645 -3.195 1.00 1.09 C ATOM 894 CD1 LEU A 56 -16.725 -3.521 -4.291 1.00 1.86 C ATOM 895 CD2 LEU A 56 -14.770 -3.166 -2.774 1.00 2.05 C ATOM 0 H LEU A 56 -14.916 -2.735 -5.349 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.339 0.142 -5.154 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -15.940 -0.557 -2.739 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -17.041 -0.900 -4.059 1.00 0.81 H new ATOM 0 HG LEU A 56 -16.796 -2.692 -2.328 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -16.757 -4.556 -3.952 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -17.735 -3.184 -4.523 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -16.105 -3.451 -5.185 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -14.856 -4.210 -2.472 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -14.077 -3.086 -3.611 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -14.398 -2.576 -1.937 1.00 2.05 H new ATOM 907 N PHE A 57 -12.616 -1.108 -4.374 1.00 0.47 N ATOM 908 CA PHE A 57 -11.290 -0.880 -3.843 1.00 0.41 C ATOM 909 C PHE A 57 -10.545 0.088 -4.769 1.00 0.37 C ATOM 910 O PHE A 57 -11.135 0.660 -5.687 1.00 0.37 O ATOM 911 CB PHE A 57 -10.566 -2.233 -3.700 1.00 0.38 C ATOM 912 CG PHE A 57 -9.221 -2.185 -3.022 1.00 0.35 C ATOM 913 CD1 PHE A 57 -9.088 -1.682 -1.739 1.00 0.35 C ATOM 914 CD2 PHE A 57 -8.092 -2.663 -3.670 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.856 -1.652 -1.117 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.858 -2.639 -3.051 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.740 -2.132 -1.771 1.00 0.35 C ATOM 0 H PHE A 57 -12.660 -1.830 -5.093 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.334 -0.425 -2.854 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -11.210 -2.912 -3.141 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.437 -2.662 -4.694 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.958 -1.309 -1.219 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -8.179 -3.059 -4.671 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.766 -1.252 -0.118 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.987 -3.016 -3.566 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.776 -2.112 -1.284 1.00 0.35 H new ATOM 927 N ILE A 58 -9.271 0.278 -4.516 1.00 0.36 N ATOM 928 CA ILE A 58 -8.459 1.234 -5.247 1.00 0.36 C ATOM 929 C ILE A 58 -7.978 0.695 -6.588 1.00 0.30 C ATOM 930 O ILE A 58 -8.039 -0.506 -6.855 1.00 0.30 O ATOM 931 CB ILE A 58 -7.232 1.647 -4.421 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.316 0.448 -4.207 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.666 2.232 -3.092 1.00 0.97 C ATOM 934 CD1 ILE A 58 -5.132 0.736 -3.314 1.00 0.90 C ATOM 0 H ILE A 58 -8.761 -0.229 -3.792 1.00 0.36 H new ATOM 0 HA ILE A 58 -9.102 2.094 -5.433 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.680 2.411 -4.968 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.896 -0.367 -3.774 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.953 0.102 -5.175 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.786 2.520 -2.517 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -8.289 3.109 -3.267 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -8.235 1.488 -2.535 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.527 -0.165 -3.209 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.528 1.529 -3.755 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.485 1.052 -2.332 1.00 0.90 H new ATOM 946 N GLN A 59 -7.510 1.620 -7.420 1.00 0.31 N ATOM 947 CA GLN A 59 -6.946 1.297 -8.721 1.00 0.30 C ATOM 948 C GLN A 59 -5.719 0.416 -8.528 1.00 0.27 C ATOM 949 O GLN A 59 -5.014 0.555 -7.531 1.00 0.29 O ATOM 950 CB GLN A 59 -6.525 2.589 -9.440 1.00 0.39 C ATOM 951 CG GLN A 59 -5.294 3.249 -8.817 1.00 0.56 C ATOM 952 CD GLN A 59 -4.817 4.478 -9.566 1.00 0.60 C ATOM 953 OE1 GLN A 59 -3.522 4.776 -9.469 1.00 1.35 O flip ATOM 954 NE2 GLN A 59 -5.599 5.164 -10.215 1.00 0.58 N flip ATOM 0 H GLN A 59 -7.512 2.618 -7.208 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.693 0.774 -9.319 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.319 2.365 -10.487 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.356 3.294 -9.423 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.523 3.527 -7.788 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.483 2.521 -8.777 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -6.584 4.904 -10.266 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -5.265 5.994 -10.704 1.00 0.58 H new ATOM 963 N GLY A 60 -5.472 -0.489 -9.463 1.00 0.32 N ATOM 964 CA GLY A 60 -4.342 -1.395 -9.342 1.00 0.38 C ATOM 965 C GLY A 60 -3.010 -0.723 -9.642 1.00 0.37 C ATOM 966 O GLY A 60 -2.161 -1.300 -10.322 1.00 0.55 O ATOM 0 H GLY A 60 -6.033 -0.615 -10.306 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.317 -1.804 -8.332 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.481 -2.235 -10.023 1.00 0.38 H new ATOM 970 N ASP A 61 -2.827 0.486 -9.118 1.00 0.40 N ATOM 971 CA ASP A 61 -1.612 1.265 -9.343 1.00 0.46 C ATOM 972 C ASP A 61 -1.194 1.993 -8.067 1.00 0.44 C ATOM 973 O ASP A 61 -0.064 1.857 -7.613 1.00 0.54 O ATOM 974 CB ASP A 61 -1.806 2.295 -10.463 1.00 0.55 C ATOM 975 CG ASP A 61 -1.970 1.675 -11.836 1.00 0.81 C ATOM 976 OD1 ASP A 61 -0.945 1.364 -12.482 1.00 1.06 O ATOM 977 OD2 ASP A 61 -3.127 1.474 -12.263 1.00 0.96 O ATOM 0 H ASP A 61 -3.515 0.953 -8.527 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.831 0.564 -9.639 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.684 2.901 -10.240 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -0.949 2.969 -10.478 1.00 0.55 H new ATOM 982 N SER A 62 -2.121 2.754 -7.483 1.00 0.40 N ATOM 983 CA SER A 62 -1.816 3.557 -6.298 1.00 0.46 C ATOM 984 C SER A 62 -3.007 3.551 -5.334 1.00 0.47 C ATOM 985 O SER A 62 -2.998 2.825 -4.345 1.00 0.70 O ATOM 986 CB SER A 62 -1.446 4.991 -6.705 1.00 0.53 C ATOM 987 OG SER A 62 -0.900 5.717 -5.622 1.00 0.80 O ATOM 0 H SER A 62 -3.084 2.831 -7.809 1.00 0.40 H new ATOM 0 HA SER A 62 -0.960 3.119 -5.786 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.727 4.963 -7.524 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.333 5.504 -7.077 1.00 0.53 H new ATOM 0 HG SER A 62 -1.008 6.677 -5.784 1.00 0.80 H new ATOM 993 N VAL A 63 -4.029 4.352 -5.634 1.00 0.38 N ATOM 994 CA VAL A 63 -5.295 4.327 -4.894 1.00 0.37 C ATOM 995 C VAL A 63 -6.429 4.842 -5.767 1.00 0.40 C ATOM 996 O VAL A 63 -6.203 5.381 -6.846 1.00 0.52 O ATOM 997 CB VAL A 63 -5.292 5.186 -3.609 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.451 4.576 -2.500 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.844 6.599 -3.906 1.00 0.78 C ATOM 0 H VAL A 63 -4.006 5.034 -6.392 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.432 3.283 -4.611 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.320 5.213 -3.248 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.484 5.220 -1.622 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -4.845 3.593 -2.244 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.420 4.477 -2.838 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.850 7.184 -2.986 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.835 6.582 -4.318 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -5.523 7.052 -4.628 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.644 4.661 -5.283 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.817 5.263 -5.895 1.00 0.40 C ATOM 1011 C ARG A 64 -9.074 6.592 -5.189 1.00 0.40 C ATOM 1012 O ARG A 64 -8.424 6.876 -4.190 1.00 0.40 O ATOM 1013 CB ARG A 64 -10.035 4.339 -5.736 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.419 4.085 -4.284 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.657 3.211 -4.161 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.864 3.873 -4.659 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.709 3.327 -5.534 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -13.439 2.149 -6.089 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.817 3.971 -5.867 1.00 2.05 N ATOM 0 H ARG A 64 -7.846 4.096 -4.459 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.651 5.419 -6.961 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.885 4.779 -6.257 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.823 3.385 -6.220 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.586 3.607 -3.768 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.598 5.038 -3.785 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.500 2.285 -4.714 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.802 2.937 -3.116 1.00 0.45 H new ATOM 0 HE ARG A 64 -13.072 4.811 -4.315 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -12.580 1.656 -5.846 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -14.091 1.739 -6.757 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -15.021 4.881 -5.455 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.466 3.557 -6.536 1.00 2.05 H new ATOM 1033 N PRO A 65 -10.019 7.416 -5.666 1.00 0.49 N ATOM 1034 CA PRO A 65 -10.422 8.627 -4.940 1.00 0.53 C ATOM 1035 C PRO A 65 -10.946 8.296 -3.541 1.00 0.44 C ATOM 1036 O PRO A 65 -10.983 9.149 -2.651 1.00 0.51 O ATOM 1037 CB PRO A 65 -11.548 9.213 -5.797 1.00 0.65 C ATOM 1038 CG PRO A 65 -11.377 8.612 -7.147 1.00 0.72 C ATOM 1039 CD PRO A 65 -10.736 7.267 -6.944 1.00 0.61 C ATOM 0 HA PRO A 65 -9.587 9.312 -4.795 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -12.525 8.969 -5.380 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -11.482 10.300 -5.841 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -12.339 8.510 -7.650 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -10.754 9.247 -7.777 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -11.479 6.471 -6.896 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -10.056 7.020 -7.759 1.00 0.61 H new ATOM 1047 N GLY A 66 -11.339 7.040 -3.365 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.909 6.591 -2.114 1.00 0.32 C ATOM 1049 C GLY A 66 -10.877 6.346 -1.028 1.00 0.25 C ATOM 1050 O GLY A 66 -11.035 6.821 0.090 1.00 0.27 O ATOM 0 H GLY A 66 -11.270 6.316 -4.080 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.624 7.335 -1.763 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.466 5.671 -2.288 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.837 5.574 -1.323 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.816 5.301 -0.324 1.00 0.23 C ATOM 1056 C ILE A 67 -7.584 6.169 -0.535 1.00 0.24 C ATOM 1057 O ILE A 67 -7.142 6.365 -1.659 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.412 3.817 -0.347 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.662 2.953 -0.166 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.378 3.513 0.728 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.380 1.473 -0.111 1.00 0.34 C ATOM 0 H ILE A 67 -9.681 5.134 -2.230 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.245 5.540 0.649 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.953 3.587 -1.309 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.167 3.251 0.753 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.351 3.151 -0.987 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.111 2.457 0.688 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.488 4.119 0.558 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.793 3.745 1.709 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.316 0.929 0.019 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.903 1.159 -1.039 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.717 1.260 0.728 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.057 6.698 0.556 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.825 7.469 0.527 1.00 0.29 C ATOM 1075 C LEU A 68 -4.693 6.622 1.102 1.00 0.28 C ATOM 1076 O LEU A 68 -4.942 5.717 1.894 1.00 0.41 O ATOM 1077 CB LEU A 68 -5.979 8.752 1.350 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.240 9.576 1.066 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.274 10.811 1.950 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.314 9.972 -0.401 1.00 0.44 C ATOM 0 H LEU A 68 -7.469 6.606 1.484 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.597 7.742 -0.503 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -5.971 8.487 2.407 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.108 9.382 1.173 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.108 8.957 1.294 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.175 11.386 1.737 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.275 10.509 2.997 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.396 11.425 1.751 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.218 10.556 -0.575 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.440 10.570 -0.661 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.337 9.075 -1.019 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.461 6.901 0.710 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.321 6.145 1.214 1.00 0.27 C ATOM 1094 C VAL A 69 -1.282 7.058 1.844 1.00 0.19 C ATOM 1095 O VAL A 69 -0.925 8.099 1.294 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.667 5.282 0.104 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.195 5.009 0.391 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.411 3.968 -0.030 1.00 0.81 C ATOM 0 H VAL A 69 -3.223 7.640 0.049 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.706 5.476 1.984 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.728 5.842 -0.829 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.225 4.402 -0.410 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.345 5.954 0.452 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.102 4.476 1.337 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.948 3.365 -0.811 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.370 3.429 0.916 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.451 4.164 -0.292 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.820 6.671 3.019 1.00 0.18 N ATOM 1109 CA LEU A 70 0.295 7.339 3.652 1.00 0.16 C ATOM 1110 C LEU A 70 1.589 6.694 3.207 1.00 0.15 C ATOM 1111 O LEU A 70 1.776 5.496 3.377 1.00 0.19 O ATOM 1112 CB LEU A 70 0.199 7.263 5.179 1.00 0.22 C ATOM 1113 CG LEU A 70 -0.987 7.989 5.806 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -0.883 7.952 7.321 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.055 9.424 5.314 1.00 0.90 C ATOM 0 H LEU A 70 -1.205 5.893 3.554 1.00 0.18 H new ATOM 0 HA LEU A 70 0.271 8.388 3.356 1.00 0.16 H new ATOM 0 HB2 LEU A 70 0.153 6.213 5.470 1.00 0.22 H new ATOM 0 HB3 LEU A 70 1.116 7.672 5.603 1.00 0.22 H new ATOM 0 HG LEU A 70 -1.903 7.480 5.506 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.735 8.473 7.757 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -0.879 6.916 7.660 1.00 0.95 H new ATOM 0 HD13 LEU A 70 0.040 8.440 7.634 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.907 9.926 5.772 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.138 9.946 5.586 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.169 9.432 4.230 1.00 0.90 H new ATOM 1127 N ILE A 71 2.461 7.473 2.601 1.00 0.14 N ATOM 1128 CA ILE A 71 3.812 7.014 2.356 1.00 0.17 C ATOM 1129 C ILE A 71 4.667 7.447 3.514 1.00 0.20 C ATOM 1130 O ILE A 71 4.857 8.649 3.713 1.00 0.24 O ATOM 1131 CB ILE A 71 4.435 7.573 1.065 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.604 7.171 -0.156 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.875 7.077 0.938 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.555 5.684 -0.403 1.00 0.20 C ATOM 0 H ILE A 71 2.261 8.418 2.272 1.00 0.14 H new ATOM 0 HA ILE A 71 3.767 5.931 2.244 1.00 0.17 H new ATOM 0 HB ILE A 71 4.441 8.662 1.113 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.587 7.541 -0.028 1.00 0.18 H new ATOM 0 HG13 ILE A 71 4.013 7.662 -1.039 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.317 7.473 0.024 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.454 7.416 1.797 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.883 5.988 0.903 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.947 5.481 -1.285 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.565 5.309 -0.565 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.117 5.186 0.462 1.00 0.20 H new ATOM 1146 N ASN A 72 5.110 6.477 4.307 1.00 0.22 N ATOM 1147 CA ASN A 72 5.971 6.735 5.456 1.00 0.28 C ATOM 1148 C ASN A 72 5.114 7.244 6.605 1.00 0.27 C ATOM 1149 O ASN A 72 5.155 6.703 7.706 1.00 0.31 O ATOM 1150 CB ASN A 72 7.079 7.732 5.097 1.00 0.41 C ATOM 1151 CG ASN A 72 8.314 7.569 5.949 1.00 1.04 C ATOM 1152 OD1 ASN A 72 8.438 8.163 7.018 1.00 1.94 O ATOM 1153 ND2 ASN A 72 9.249 6.772 5.466 1.00 1.33 N ATOM 0 H ASN A 72 4.883 5.492 4.172 1.00 0.22 H new ATOM 0 HA ASN A 72 6.463 5.812 5.760 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.348 7.606 4.048 1.00 0.41 H new ATOM 0 HB3 ASN A 72 6.698 8.747 5.209 1.00 0.41 H new ATOM 0 HD21 ASN A 72 10.116 6.630 5.985 1.00 1.33 H new ATOM 0 HD22 ASN A 72 9.105 6.298 4.574 1.00 1.33 H new ATOM 1160 N ASP A 73 4.341 8.283 6.304 1.00 0.26 N ATOM 1161 CA ASP A 73 3.258 8.779 7.158 1.00 0.29 C ATOM 1162 C ASP A 73 2.720 10.088 6.578 1.00 0.28 C ATOM 1163 O ASP A 73 2.200 10.940 7.296 1.00 0.36 O ATOM 1164 CB ASP A 73 3.726 8.990 8.606 1.00 0.36 C ATOM 1165 CG ASP A 73 2.578 8.961 9.597 1.00 0.62 C ATOM 1166 OD1 ASP A 73 2.086 7.852 9.909 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.161 10.037 10.072 1.00 0.65 O ATOM 0 H ASP A 73 4.449 8.817 5.442 1.00 0.26 H new ATOM 0 HA ASP A 73 2.467 8.030 7.180 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.447 8.216 8.868 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.243 9.947 8.682 1.00 0.36 H new ATOM 1172 N ALA A 74 2.822 10.232 5.257 1.00 0.27 N ATOM 1173 CA ALA A 74 2.452 11.477 4.591 1.00 0.29 C ATOM 1174 C ALA A 74 1.688 11.205 3.298 1.00 0.25 C ATOM 1175 O ALA A 74 1.563 10.055 2.873 1.00 0.20 O ATOM 1176 CB ALA A 74 3.694 12.301 4.302 1.00 0.33 C ATOM 0 H ALA A 74 3.158 9.502 4.629 1.00 0.27 H new ATOM 0 HA ALA A 74 1.797 12.037 5.258 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.408 13.228 3.805 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.203 12.533 5.238 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.364 11.734 3.655 1.00 0.33 H new ATOM 1182 N ASP A 75 1.192 12.272 2.675 1.00 0.30 N ATOM 1183 CA ASP A 75 0.398 12.163 1.449 1.00 0.29 C ATOM 1184 C ASP A 75 1.197 11.547 0.304 1.00 0.23 C ATOM 1185 O ASP A 75 2.109 12.163 -0.243 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.141 13.530 1.023 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.338 13.963 1.845 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -1.140 14.413 2.991 1.00 0.62 O ATOM 1189 OD2 ASP A 75 -2.478 13.861 1.345 1.00 0.61 O ATOM 0 H ASP A 75 1.326 13.229 3.001 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.438 11.501 1.674 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.650 14.274 1.118 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.421 13.495 -0.030 1.00 0.36 H new ATOM 1194 N TRP A 76 0.819 10.327 -0.050 1.00 0.21 N ATOM 1195 CA TRP A 76 1.466 9.557 -1.104 1.00 0.17 C ATOM 1196 C TRP A 76 1.605 10.340 -2.412 1.00 0.16 C ATOM 1197 O TRP A 76 2.683 10.377 -3.006 1.00 0.14 O ATOM 1198 CB TRP A 76 0.672 8.263 -1.353 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.652 8.456 -2.060 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.008 7.890 -3.248 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.777 9.273 -1.660 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.257 8.304 -3.620 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.755 9.143 -2.663 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.058 10.098 -0.562 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -3.979 9.803 -2.603 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.272 10.750 -0.506 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.220 10.598 -1.520 1.00 0.34 C ATOM 0 H TRP A 76 0.042 9.836 0.393 1.00 0.21 H new ATOM 0 HA TRP A 76 2.476 9.326 -0.764 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.287 7.584 -1.943 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.489 7.776 -0.395 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.390 7.210 -3.816 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.740 8.030 -4.476 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.334 10.221 0.229 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.713 9.690 -3.387 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.493 11.389 0.336 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.163 11.120 -1.446 1.00 0.34 H new ATOM 1218 N GLU A 77 0.522 10.987 -2.834 1.00 0.19 N ATOM 1219 CA GLU A 77 0.443 11.594 -4.158 1.00 0.21 C ATOM 1220 C GLU A 77 1.494 12.685 -4.342 1.00 0.21 C ATOM 1221 O GLU A 77 2.019 12.880 -5.436 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.957 12.179 -4.385 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.382 13.175 -3.312 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.650 13.924 -3.669 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -2.583 14.835 -4.522 1.00 0.82 O ATOM 1226 OE2 GLU A 77 -3.711 13.625 -3.083 1.00 0.74 O ATOM 0 H GLU A 77 -0.320 11.105 -2.271 1.00 0.19 H new ATOM 0 HA GLU A 77 0.638 10.813 -4.892 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.983 12.671 -5.357 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.681 11.365 -4.421 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.532 12.645 -2.371 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.577 13.891 -3.150 1.00 0.49 H new ATOM 1233 N LEU A 78 1.806 13.380 -3.259 1.00 0.24 N ATOM 1234 CA LEU A 78 2.730 14.504 -3.303 1.00 0.29 C ATOM 1235 C LEU A 78 4.164 14.024 -3.141 1.00 0.25 C ATOM 1236 O LEU A 78 5.114 14.768 -3.381 1.00 0.35 O ATOM 1237 CB LEU A 78 2.384 15.501 -2.195 1.00 0.47 C ATOM 1238 CG LEU A 78 0.952 16.029 -2.230 1.00 0.55 C ATOM 1239 CD1 LEU A 78 0.679 16.907 -1.019 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.701 16.798 -3.518 1.00 1.00 C ATOM 0 H LEU A 78 1.430 13.184 -2.332 1.00 0.24 H new ATOM 0 HA LEU A 78 2.638 14.995 -4.272 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.556 15.024 -1.230 1.00 0.47 H new ATOM 0 HB3 LEU A 78 3.069 16.346 -2.260 1.00 0.47 H new ATOM 0 HG LEU A 78 0.269 15.180 -2.198 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -0.346 17.275 -1.060 1.00 1.12 H new ATOM 0 HD12 LEU A 78 0.819 16.325 -0.108 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.368 17.752 -1.019 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.324 17.168 -3.527 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.391 17.640 -3.579 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.857 16.138 -4.372 1.00 1.00 H new ATOM 1252 N LEU A 79 4.311 12.773 -2.739 1.00 0.20 N ATOM 1253 CA LEU A 79 5.621 12.227 -2.432 1.00 0.20 C ATOM 1254 C LEU A 79 6.162 11.352 -3.566 1.00 0.20 C ATOM 1255 O LEU A 79 7.370 11.309 -3.800 1.00 0.22 O ATOM 1256 CB LEU A 79 5.547 11.421 -1.130 1.00 0.22 C ATOM 1257 CG LEU A 79 5.878 12.192 0.156 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.894 13.326 0.388 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.893 11.245 1.346 1.00 0.75 C ATOM 0 H LEU A 79 3.539 12.117 -2.618 1.00 0.20 H new ATOM 0 HA LEU A 79 6.312 13.062 -2.313 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.542 11.011 -1.036 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.230 10.575 -1.210 1.00 0.22 H new ATOM 0 HG LEU A 79 6.869 12.631 0.043 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.155 13.852 1.306 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.934 14.020 -0.452 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.886 12.921 0.477 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.129 11.803 2.252 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.914 10.778 1.452 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.647 10.474 1.188 1.00 0.75 H new ATOM 1271 N GLY A 80 5.276 10.696 -4.300 1.00 0.20 N ATOM 1272 CA GLY A 80 5.719 9.808 -5.364 1.00 0.22 C ATOM 1273 C GLY A 80 4.849 8.573 -5.473 1.00 0.19 C ATOM 1274 O GLY A 80 4.844 7.902 -6.507 1.00 0.22 O ATOM 0 H GLY A 80 4.265 10.759 -4.183 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.707 10.345 -6.313 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.751 9.509 -5.180 1.00 0.22 H new ATOM 1278 N GLU A 81 4.127 8.282 -4.384 1.00 0.17 N ATOM 1279 CA GLU A 81 3.110 7.224 -4.326 1.00 0.20 C ATOM 1280 C GLU A 81 3.528 5.918 -5.022 1.00 0.16 C ATOM 1281 O GLU A 81 4.592 5.372 -4.731 1.00 0.17 O ATOM 1282 CB GLU A 81 1.763 7.742 -4.863 1.00 0.33 C ATOM 1283 CG GLU A 81 1.849 8.576 -6.132 1.00 0.48 C ATOM 1284 CD GLU A 81 0.490 8.899 -6.715 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.350 7.981 -6.800 1.00 0.58 O ATOM 1286 OE2 GLU A 81 0.262 10.069 -7.091 1.00 0.41 O ATOM 0 H GLU A 81 4.235 8.784 -3.503 1.00 0.17 H new ATOM 0 HA GLU A 81 2.998 6.964 -3.273 1.00 0.20 H new ATOM 0 HB2 GLU A 81 1.113 6.888 -5.052 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.286 8.340 -4.086 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.377 9.505 -5.916 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.440 8.039 -6.875 1.00 0.48 H new ATOM 1293 N LEU A 82 2.669 5.441 -5.930 1.00 0.16 N ATOM 1294 CA LEU A 82 2.802 4.138 -6.601 1.00 0.18 C ATOM 1295 C LEU A 82 4.244 3.789 -7.001 1.00 0.16 C ATOM 1296 O LEU A 82 4.701 2.663 -6.792 1.00 0.20 O ATOM 1297 CB LEU A 82 1.908 4.088 -7.854 1.00 0.24 C ATOM 1298 CG LEU A 82 2.340 4.962 -9.041 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.473 4.674 -10.257 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.262 6.434 -8.682 1.00 1.19 C ATOM 0 H LEU A 82 1.843 5.960 -6.227 1.00 0.16 H new ATOM 0 HA LEU A 82 2.485 3.396 -5.868 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.855 3.054 -8.194 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.899 4.381 -7.565 1.00 0.24 H new ATOM 0 HG LEU A 82 3.375 4.719 -9.282 1.00 0.28 H new ATOM 0 HD11 LEU A 82 1.793 5.302 -11.089 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.573 3.625 -10.535 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.431 4.889 -10.020 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.572 7.034 -9.537 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.237 6.689 -8.413 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.920 6.638 -7.838 1.00 1.19 H new ATOM 1312 N ASP A 83 4.964 4.756 -7.550 1.00 0.20 N ATOM 1313 CA ASP A 83 6.250 4.483 -8.185 1.00 0.24 C ATOM 1314 C ASP A 83 7.403 4.828 -7.252 1.00 0.26 C ATOM 1315 O ASP A 83 8.423 5.378 -7.671 1.00 0.56 O ATOM 1316 CB ASP A 83 6.351 5.296 -9.476 1.00 0.34 C ATOM 1317 CG ASP A 83 7.100 4.568 -10.569 1.00 1.21 C ATOM 1318 OD1 ASP A 83 6.702 3.435 -10.906 1.00 1.72 O ATOM 1319 OD2 ASP A 83 8.059 5.134 -11.127 1.00 2.00 O ATOM 0 H ASP A 83 4.682 5.736 -7.570 1.00 0.20 H new ATOM 0 HA ASP A 83 6.315 3.419 -8.414 1.00 0.24 H new ATOM 0 HB2 ASP A 83 5.348 5.537 -9.828 1.00 0.34 H new ATOM 0 HB3 ASP A 83 6.851 6.242 -9.267 1.00 0.34 H new ATOM 1324 N TYR A 84 7.229 4.504 -5.983 1.00 0.21 N ATOM 1325 CA TYR A 84 8.243 4.754 -4.979 1.00 0.19 C ATOM 1326 C TYR A 84 9.281 3.646 -4.925 1.00 0.21 C ATOM 1327 O TYR A 84 8.943 2.486 -4.728 1.00 0.33 O ATOM 1328 CB TYR A 84 7.594 4.886 -3.609 1.00 0.19 C ATOM 1329 CG TYR A 84 7.712 6.261 -3.028 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.949 6.849 -2.837 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.580 6.976 -2.678 1.00 0.19 C ATOM 1332 CE1 TYR A 84 9.060 8.117 -2.312 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.672 8.245 -2.158 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.955 8.794 -1.931 1.00 0.25 C ATOM 1335 OH TYR A 84 7.982 10.089 -1.463 1.00 0.30 O ATOM 0 H TYR A 84 6.384 4.062 -5.622 1.00 0.21 H new ATOM 0 HA TYR A 84 8.747 5.680 -5.255 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.540 4.621 -3.687 1.00 0.19 H new ATOM 0 HB3 TYR A 84 8.053 4.170 -2.927 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.843 6.305 -3.104 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.607 6.529 -2.816 1.00 0.19 H new ATOM 0 HE1 TYR A 84 10.034 8.572 -2.204 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.782 8.812 -1.927 1.00 0.21 H new ATOM 0 HH TYR A 84 8.625 10.612 -1.986 1.00 0.30 H new ATOM 1345 N GLN A 85 10.549 4.028 -5.030 1.00 0.27 N ATOM 1346 CA GLN A 85 11.667 3.088 -4.880 1.00 0.28 C ATOM 1347 C GLN A 85 11.902 2.793 -3.392 1.00 0.24 C ATOM 1348 O GLN A 85 12.955 2.296 -2.996 1.00 0.28 O ATOM 1349 CB GLN A 85 12.946 3.660 -5.529 1.00 0.40 C ATOM 1350 CG GLN A 85 13.605 4.808 -4.761 1.00 0.70 C ATOM 1351 CD GLN A 85 12.707 6.018 -4.595 1.00 0.77 C ATOM 1352 OE1 GLN A 85 11.963 6.056 -3.500 1.00 1.74 O flip ATOM 1353 NE2 GLN A 85 12.688 6.915 -5.435 1.00 0.74 N flip ATOM 0 H GLN A 85 10.835 4.988 -5.220 1.00 0.27 H new ATOM 0 HA GLN A 85 11.417 2.157 -5.388 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.671 2.854 -5.639 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.701 4.008 -6.533 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.905 4.451 -3.776 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.514 5.109 -5.282 1.00 0.70 H new ATOM 0 HE21 GLN A 85 13.276 6.848 -6.266 1.00 0.74 H new ATOM 0 HE22 GLN A 85 12.084 7.726 -5.302 1.00 0.74 H new ATOM 1362 N LEU A 86 10.847 3.041 -2.612 1.00 0.22 N ATOM 1363 CA LEU A 86 10.848 3.017 -1.147 1.00 0.24 C ATOM 1364 C LEU A 86 11.973 3.844 -0.507 1.00 0.30 C ATOM 1365 O LEU A 86 13.036 4.050 -1.088 1.00 0.34 O ATOM 1366 CB LEU A 86 10.841 1.569 -0.711 1.00 0.25 C ATOM 1367 CG LEU A 86 9.683 0.802 -1.331 1.00 0.29 C ATOM 1368 CD1 LEU A 86 9.836 -0.663 -1.086 1.00 0.75 C ATOM 1369 CD2 LEU A 86 8.348 1.301 -0.796 1.00 0.86 C ATOM 0 H LEU A 86 9.932 3.273 -2.999 1.00 0.22 H new ATOM 0 HA LEU A 86 9.949 3.515 -0.783 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.783 1.099 -0.994 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.773 1.516 0.376 1.00 0.25 H new ATOM 0 HG LEU A 86 9.698 0.976 -2.407 1.00 0.29 H new ATOM 0 HD11 LEU A 86 8.999 -1.197 -1.536 1.00 0.75 H new ATOM 0 HD12 LEU A 86 10.769 -1.011 -1.530 1.00 0.75 H new ATOM 0 HD13 LEU A 86 9.852 -0.853 -0.013 1.00 0.75 H new ATOM 0 HD21 LEU A 86 7.537 0.736 -1.256 1.00 0.86 H new ATOM 0 HD22 LEU A 86 8.316 1.167 0.285 1.00 0.86 H new ATOM 0 HD23 LEU A 86 8.233 2.359 -1.034 1.00 0.86 H new ATOM 1381 N GLN A 87 11.706 4.368 0.684 1.00 0.39 N ATOM 1382 CA GLN A 87 12.653 5.243 1.357 1.00 0.51 C ATOM 1383 C GLN A 87 13.327 4.530 2.505 1.00 0.76 C ATOM 1384 O GLN A 87 14.521 4.227 2.429 1.00 1.74 O ATOM 1385 CB GLN A 87 11.959 6.520 1.849 1.00 0.46 C ATOM 1386 CG GLN A 87 11.190 7.259 0.762 1.00 0.86 C ATOM 1387 CD GLN A 87 9.683 7.068 0.849 1.00 0.65 C ATOM 1388 OE1 GLN A 87 8.985 7.842 1.503 1.00 1.18 O ATOM 1389 NE2 GLN A 87 9.167 6.039 0.183 1.00 0.48 N ATOM 0 H GLN A 87 10.843 4.201 1.201 1.00 0.39 H new ATOM 0 HA GLN A 87 13.420 5.525 0.636 1.00 0.51 H new ATOM 0 HB2 GLN A 87 11.272 6.262 2.655 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.708 7.190 2.271 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.418 8.323 0.826 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.536 6.917 -0.213 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.777 5.418 -0.349 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.161 5.871 0.204 1.00 0.48 H new ATOM 1398 N ASP A 88 12.558 4.297 3.554 1.00 0.43 N ATOM 1399 CA ASP A 88 12.953 3.477 4.687 1.00 0.40 C ATOM 1400 C ASP A 88 12.036 3.781 5.863 1.00 0.32 C ATOM 1401 O ASP A 88 11.757 4.952 6.140 1.00 0.36 O ATOM 1402 CB ASP A 88 14.409 3.682 5.121 1.00 0.56 C ATOM 1403 CG ASP A 88 14.715 2.993 6.442 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.411 1.789 6.572 1.00 2.44 O ATOM 1405 OD2 ASP A 88 15.266 3.653 7.355 1.00 1.53 O ATOM 0 H ASP A 88 11.618 4.682 3.644 1.00 0.43 H new ATOM 0 HA ASP A 88 12.866 2.439 4.367 1.00 0.40 H new ATOM 0 HB2 ASP A 88 15.075 3.296 4.349 1.00 0.56 H new ATOM 0 HB3 ASP A 88 14.612 4.749 5.213 1.00 0.56 H new ATOM 1410 N GLN A 89 11.573 2.733 6.545 1.00 0.31 N ATOM 1411 CA GLN A 89 10.608 2.870 7.638 1.00 0.34 C ATOM 1412 C GLN A 89 9.297 3.417 7.089 1.00 0.34 C ATOM 1413 O GLN A 89 8.511 4.032 7.817 1.00 0.42 O ATOM 1414 CB GLN A 89 11.126 3.799 8.746 1.00 0.40 C ATOM 1415 CG GLN A 89 12.478 3.411 9.326 1.00 0.62 C ATOM 1416 CD GLN A 89 12.524 1.988 9.843 1.00 0.77 C ATOM 1417 OE1 GLN A 89 12.175 1.721 10.994 1.00 1.56 O ATOM 1418 NE2 GLN A 89 12.997 1.076 9.014 1.00 0.71 N ATOM 0 H GLN A 89 11.854 1.770 6.358 1.00 0.31 H new ATOM 0 HA GLN A 89 10.455 1.883 8.075 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.194 4.812 8.349 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.394 3.822 9.553 1.00 0.40 H new ATOM 0 HG2 GLN A 89 13.243 3.536 8.560 1.00 0.62 H new ATOM 0 HG3 GLN A 89 12.726 4.093 10.139 1.00 0.62 H new ATOM 0 HE21 GLN A 89 13.274 1.341 8.069 1.00 0.71 H new ATOM 0 HE22 GLN A 89 13.085 0.107 9.319 1.00 0.71 H new ATOM 1427 N ASP A 90 9.071 3.180 5.804 1.00 0.30 N ATOM 1428 CA ASP A 90 7.898 3.701 5.124 1.00 0.34 C ATOM 1429 C ASP A 90 6.652 3.010 5.637 1.00 0.32 C ATOM 1430 O ASP A 90 6.414 1.839 5.347 1.00 0.45 O ATOM 1431 CB ASP A 90 7.993 3.514 3.599 1.00 0.45 C ATOM 1432 CG ASP A 90 9.287 4.006 3.005 1.00 0.75 C ATOM 1433 OD1 ASP A 90 9.896 4.911 3.601 1.00 1.17 O ATOM 1434 OD2 ASP A 90 9.709 3.482 1.959 1.00 1.06 O ATOM 0 H ASP A 90 9.690 2.627 5.211 1.00 0.30 H new ATOM 0 HA ASP A 90 7.845 4.769 5.334 1.00 0.34 H new ATOM 0 HB2 ASP A 90 7.875 2.456 3.364 1.00 0.45 H new ATOM 0 HB3 ASP A 90 7.164 4.040 3.126 1.00 0.45 H new ATOM 1439 N SER A 91 5.877 3.727 6.425 1.00 0.23 N ATOM 1440 CA SER A 91 4.613 3.220 6.890 1.00 0.21 C ATOM 1441 C SER A 91 3.567 3.528 5.841 1.00 0.17 C ATOM 1442 O SER A 91 3.079 4.655 5.741 1.00 0.17 O ATOM 1443 CB SER A 91 4.234 3.850 8.226 1.00 0.25 C ATOM 1444 OG SER A 91 3.026 3.308 8.729 1.00 1.14 O ATOM 0 H SER A 91 6.106 4.665 6.755 1.00 0.23 H new ATOM 0 HA SER A 91 4.681 2.143 7.046 1.00 0.21 H new ATOM 0 HB2 SER A 91 5.035 3.688 8.947 1.00 0.25 H new ATOM 0 HB3 SER A 91 4.128 4.928 8.105 1.00 0.25 H new ATOM 0 HG SER A 91 2.810 3.730 9.587 1.00 1.14 H new ATOM 1450 N ILE A 92 3.285 2.539 5.025 1.00 0.17 N ATOM 1451 CA ILE A 92 2.335 2.687 3.947 1.00 0.15 C ATOM 1452 C ILE A 92 0.966 2.253 4.434 1.00 0.14 C ATOM 1453 O ILE A 92 0.714 1.068 4.644 1.00 0.17 O ATOM 1454 CB ILE A 92 2.743 1.845 2.717 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.243 2.000 2.426 1.00 0.19 C ATOM 1456 CG2 ILE A 92 1.927 2.254 1.501 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.700 3.438 2.264 1.00 0.21 C ATOM 0 H ILE A 92 3.706 1.612 5.089 1.00 0.17 H new ATOM 0 HA ILE A 92 2.314 3.733 3.643 1.00 0.15 H new ATOM 0 HB ILE A 92 2.541 0.797 2.939 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.808 1.540 3.237 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.484 1.449 1.517 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.226 1.652 0.643 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.868 2.096 1.704 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.101 3.308 1.283 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.771 3.459 2.061 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.164 3.899 1.434 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.494 3.991 3.180 1.00 0.21 H new ATOM 1469 N LEU A 93 0.088 3.213 4.633 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.202 2.925 5.224 1.00 0.14 C ATOM 1471 C LEU A 93 -2.323 3.259 4.253 1.00 0.14 C ATOM 1472 O LEU A 93 -2.383 4.366 3.717 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.379 3.719 6.525 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.176 3.012 7.628 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.402 3.942 8.804 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.503 2.508 7.099 1.00 0.56 C ATOM 0 H LEU A 93 0.242 4.193 4.396 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.245 1.860 5.450 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.392 3.966 6.916 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.874 4.661 6.290 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.593 2.156 7.966 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -2.969 3.422 9.576 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.440 4.256 9.210 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -2.959 4.818 8.473 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -4.049 2.011 7.901 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -4.089 3.348 6.728 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -3.327 1.802 6.288 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.211 2.300 4.040 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.389 2.520 3.222 1.00 0.14 C ATOM 1490 C PHE A 94 -5.540 3.013 4.099 1.00 0.13 C ATOM 1491 O PHE A 94 -6.029 2.292 4.977 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.786 1.226 2.503 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.747 0.729 1.533 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.555 0.184 1.985 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.961 0.815 0.167 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.599 -0.265 1.096 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -3.006 0.366 -0.727 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.824 -0.173 -0.262 1.00 0.33 C ATOM 0 H PHE A 94 -3.136 1.359 4.425 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.164 3.277 2.471 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.976 0.452 3.246 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.721 1.391 1.967 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.372 0.110 3.047 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.883 1.237 -0.204 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.676 -0.688 1.463 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -3.186 0.437 -1.790 1.00 0.31 H new ATOM 0 HZ PHE A 94 -1.077 -0.522 -0.959 1.00 0.33 H new ATOM 1508 N ILE A 95 -5.968 4.237 3.850 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.033 4.859 4.618 1.00 0.17 C ATOM 1510 C ILE A 95 -8.221 5.151 3.719 1.00 0.18 C ATOM 1511 O ILE A 95 -8.187 6.078 2.912 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.557 6.175 5.283 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.461 5.894 6.313 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -7.724 6.916 5.931 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -5.917 4.995 7.437 1.00 1.16 C ATOM 0 H ILE A 95 -5.588 4.828 3.111 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.326 4.162 5.403 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.143 6.814 4.503 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -4.609 5.434 5.811 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.113 6.839 6.731 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.361 7.836 6.390 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.468 7.158 5.172 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.177 6.284 6.694 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -5.093 4.835 8.132 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -6.750 5.463 7.962 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -6.238 4.037 7.029 1.00 1.16 H new ATOM 1527 N SER A 96 -9.260 4.346 3.836 1.00 0.20 N ATOM 1528 CA SER A 96 -10.454 4.564 3.051 1.00 0.24 C ATOM 1529 C SER A 96 -11.215 5.755 3.604 1.00 0.28 C ATOM 1530 O SER A 96 -11.684 5.734 4.742 1.00 0.35 O ATOM 1531 CB SER A 96 -11.335 3.313 3.036 1.00 0.31 C ATOM 1532 OG SER A 96 -12.461 3.486 2.193 1.00 0.37 O ATOM 0 H SER A 96 -9.299 3.542 4.463 1.00 0.20 H new ATOM 0 HA SER A 96 -10.166 4.775 2.021 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.751 2.458 2.695 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.668 3.088 4.049 1.00 0.31 H new ATOM 0 HG SER A 96 -13.005 2.671 2.202 1.00 0.37 H new ATOM 1538 N THR A 97 -11.324 6.799 2.801 1.00 0.27 N ATOM 1539 CA THR A 97 -12.005 7.999 3.228 1.00 0.36 C ATOM 1540 C THR A 97 -13.437 7.996 2.700 1.00 0.48 C ATOM 1541 O THR A 97 -14.157 8.988 2.798 1.00 0.58 O ATOM 1542 CB THR A 97 -11.247 9.271 2.779 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.715 10.406 3.515 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.413 9.531 1.288 1.00 0.35 C ATOM 0 H THR A 97 -10.949 6.836 1.853 1.00 0.27 H new ATOM 0 HA THR A 97 -12.032 8.012 4.318 1.00 0.36 H new ATOM 0 HB THR A 97 -10.188 9.109 2.979 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.683 10.334 3.647 1.00 0.43 H new ATOM 0 HG21 THR A 97 -10.866 10.433 1.013 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.022 8.683 0.725 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.470 9.663 1.057 1.00 0.35 H new ATOM 1552 N LEU A 98 -13.846 6.852 2.155 1.00 0.53 N ATOM 1553 CA LEU A 98 -15.210 6.670 1.685 1.00 0.70 C ATOM 1554 C LEU A 98 -16.189 6.786 2.843 1.00 0.79 C ATOM 1555 O LEU A 98 -16.277 5.899 3.695 1.00 1.27 O ATOM 1556 CB LEU A 98 -15.370 5.310 0.999 1.00 0.98 C ATOM 1557 CG LEU A 98 -14.683 5.179 -0.360 1.00 0.82 C ATOM 1558 CD1 LEU A 98 -14.774 3.748 -0.870 1.00 0.94 C ATOM 1559 CD2 LEU A 98 -15.306 6.141 -1.362 1.00 1.09 C ATOM 0 H LEU A 98 -13.246 6.036 2.029 1.00 0.53 H new ATOM 0 HA LEU A 98 -15.427 7.453 0.959 1.00 0.70 H new ATOM 0 HB2 LEU A 98 -14.978 4.539 1.662 1.00 0.98 H new ATOM 0 HB3 LEU A 98 -16.434 5.109 0.871 1.00 0.98 H new ATOM 0 HG LEU A 98 -13.630 5.434 -0.241 1.00 0.82 H new ATOM 0 HD11 LEU A 98 -14.279 3.675 -1.839 1.00 0.94 H new ATOM 0 HD12 LEU A 98 -14.287 3.078 -0.162 1.00 0.94 H new ATOM 0 HD13 LEU A 98 -15.821 3.465 -0.975 1.00 0.94 H new ATOM 0 HD21 LEU A 98 -14.807 6.037 -2.325 1.00 1.09 H new ATOM 0 HD22 LEU A 98 -16.366 5.912 -1.476 1.00 1.09 H new ATOM 0 HD23 LEU A 98 -15.192 7.164 -1.003 1.00 1.09 H new ATOM 1571 N HIS A 99 -16.898 7.898 2.883 1.00 1.41 N ATOM 1572 CA HIS A 99 -17.879 8.152 3.928 1.00 1.74 C ATOM 1573 C HIS A 99 -19.178 8.661 3.318 1.00 2.61 C ATOM 1574 O HIS A 99 -20.140 8.951 4.027 1.00 3.47 O ATOM 1575 CB HIS A 99 -17.333 9.160 4.956 1.00 2.60 C ATOM 1576 CG HIS A 99 -16.866 10.465 4.371 1.00 3.33 C ATOM 1577 ND1 HIS A 99 -15.547 10.867 4.392 1.00 4.18 N ATOM 1578 CD2 HIS A 99 -17.548 11.461 3.759 1.00 3.94 C ATOM 1579 CE1 HIS A 99 -15.439 12.052 3.822 1.00 5.03 C ATOM 1580 NE2 HIS A 99 -16.638 12.433 3.430 1.00 4.93 N ATOM 0 H HIS A 99 -16.813 8.649 2.198 1.00 1.41 H new ATOM 0 HA HIS A 99 -18.081 7.215 4.447 1.00 1.74 H new ATOM 0 HB2 HIS A 99 -18.111 9.365 5.692 1.00 2.60 H new ATOM 0 HB3 HIS A 99 -16.502 8.699 5.490 1.00 2.60 H new ATOM 0 HD2 HIS A 99 -18.610 11.486 3.566 1.00 3.94 H new ATOM 0 HE1 HIS A 99 -14.525 12.613 3.698 1.00 5.03 H new ATOM 0 HE2 HIS A 99 -16.855 13.311 2.957 1.00 4.93 H new ATOM 1589 N GLY A 100 -19.195 8.757 1.998 1.00 3.03 N ATOM 1590 CA GLY A 100 -20.346 9.292 1.303 1.00 4.27 C ATOM 1591 C GLY A 100 -19.989 10.534 0.518 1.00 4.88 C ATOM 1592 O GLY A 100 -18.936 11.132 0.748 1.00 5.56 O ATOM 0 H GLY A 100 -18.426 8.472 1.392 1.00 3.03 H new ATOM 0 HA2 GLY A 100 -20.749 8.537 0.628 1.00 4.27 H new ATOM 0 HA3 GLY A 100 -21.130 9.527 2.022 1.00 4.27 H new ATOM 1596 N GLY A 101 -20.847 10.926 -0.405 1.00 5.05 N ATOM 1597 CA GLY A 101 -20.570 12.087 -1.215 1.00 6.01 C ATOM 1598 C GLY A 101 -21.030 11.887 -2.636 1.00 6.44 C ATOM 1599 O GLY A 101 -21.102 10.719 -3.075 1.00 6.66 O ATOM 1600 OXT GLY A 101 -21.317 12.888 -3.322 1.00 6.91 O ATOM 0 H GLY A 101 -21.731 10.460 -0.608 1.00 5.05 H new ATOM 0 HA2 GLY A 101 -21.068 12.958 -0.789 1.00 6.01 H new ATOM 0 HA3 GLY A 101 -19.500 12.294 -1.203 1.00 6.01 H new TER 1604 GLY A 101