USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 703 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 65 THR OG1 : rot 1:sc= 0.701 USER MOD Set 1.2: A 69 GLN : amide:sc= 0.798 K(o=1.5,f=-0.5!) USER MOD Set 2.1: A 22 GLN : amide:sc= 0.00917 K(o=0.0092,f=-4.8!) USER MOD Set 2.2: A 54 ASN : amide:sc= 0 X(o=0.0092,f=0.0092) USER MOD Set 3.1: A 20 MET CE :methyl -150:sc= 0 (180deg=0) USER MOD Set 3.2: A 55 TYR OH : rot 150:sc= 0 USER MOD Set 4.1: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 57 SER OG : rot 180:sc= -0.858 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0381 (180deg=-0.21) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0.489 (180deg=0.489) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 4 LYS NZ :NH3+ 176:sc= 0.0982 (180deg=0.0922) USER MOD Single : A 6 ASN : amide:sc= -0.0588 K(o=-0.059,f=-1.9!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 155:sc= 0.361 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -2.24 X(o=-2.2,f=-2.4) USER MOD Single : A 43 TYR OH : rot 147:sc= -0.22 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -1.79 F(o=-4!,f=-1.8) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 66 HIS : no HE2:sc= 0.312 K(o=0.31,f=-6.9!) USER MOD Single : A 72 THR OG1 : rot 83:sc= 0.311 USER MOD Single : A 74 TYR OH : rot -11:sc= 0.0235 USER MOD Single : A 79 LYS NZ :NH3+ -151:sc= -0.0903 (180deg=-0.563) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.038 -0.258 -19.867 1.00 0.77 N ATOM 2 CA MET A 1 16.495 -0.169 -19.540 1.00 0.58 C ATOM 3 C MET A 1 16.931 1.298 -19.440 1.00 0.45 C ATOM 4 O MET A 1 16.600 2.111 -20.284 1.00 0.51 O ATOM 5 CB MET A 1 17.212 -0.863 -20.703 1.00 0.60 C ATOM 6 CG MET A 1 18.510 -1.496 -20.199 1.00 0.80 C ATOM 7 SD MET A 1 19.107 -2.701 -21.411 1.00 1.36 S ATOM 8 CE MET A 1 20.119 -3.679 -20.275 1.00 1.72 C ATOM 0 H1 MET A 1 14.804 -1.232 -20.147 1.00 0.77 H new ATOM 0 H2 MET A 1 14.478 0.006 -19.031 1.00 0.77 H new ATOM 0 H3 MET A 1 14.818 0.390 -20.650 1.00 0.77 H new ATOM 0 HA MET A 1 16.728 -0.635 -18.583 1.00 0.58 H new ATOM 0 HB2 MET A 1 16.567 -1.627 -21.137 1.00 0.60 H new ATOM 0 HB3 MET A 1 17.429 -0.143 -21.492 1.00 0.60 H new ATOM 0 HG2 MET A 1 19.263 -0.725 -20.036 1.00 0.80 H new ATOM 0 HG3 MET A 1 18.340 -1.984 -19.239 1.00 0.80 H new ATOM 0 HE1 MET A 1 20.592 -4.496 -20.820 1.00 1.72 H new ATOM 0 HE2 MET A 1 20.887 -3.044 -19.834 1.00 1.72 H new ATOM 0 HE3 MET A 1 19.488 -4.088 -19.485 1.00 1.72 H new ATOM 18 N LYS A 2 17.673 1.640 -18.416 1.00 0.40 N ATOM 19 CA LYS A 2 18.135 3.054 -18.256 1.00 0.37 C ATOM 20 C LYS A 2 19.476 3.261 -18.978 1.00 0.37 C ATOM 21 O LYS A 2 20.485 3.560 -18.367 1.00 0.43 O ATOM 22 CB LYS A 2 18.289 3.256 -16.744 1.00 0.41 C ATOM 23 CG LYS A 2 18.072 4.732 -16.395 1.00 0.50 C ATOM 24 CD LYS A 2 16.802 4.883 -15.551 1.00 0.42 C ATOM 25 CE LYS A 2 15.864 5.896 -16.217 1.00 0.52 C ATOM 26 NZ LYS A 2 14.607 5.846 -15.418 1.00 0.53 N ATOM 0 H LYS A 2 17.979 1.000 -17.683 1.00 0.40 H new ATOM 0 HA LYS A 2 17.435 3.769 -18.688 1.00 0.37 H new ATOM 0 HB2 LYS A 2 17.569 2.636 -16.209 1.00 0.41 H new ATOM 0 HB3 LYS A 2 19.282 2.939 -16.424 1.00 0.41 H new ATOM 0 HG2 LYS A 2 18.932 5.116 -15.847 1.00 0.50 H new ATOM 0 HG3 LYS A 2 17.986 5.322 -17.307 1.00 0.50 H new ATOM 0 HD2 LYS A 2 16.302 3.920 -15.451 1.00 0.42 H new ATOM 0 HD3 LYS A 2 17.058 5.215 -14.545 1.00 0.42 H new ATOM 0 HE2 LYS A 2 16.296 6.897 -16.210 1.00 0.52 H new ATOM 0 HE3 LYS A 2 15.679 5.636 -17.259 1.00 0.52 H new ATOM 0 HZ1 LYS A 2 13.916 6.514 -15.815 1.00 0.53 H new ATOM 0 HZ2 LYS A 2 14.214 4.883 -15.448 1.00 0.53 H new ATOM 0 HZ3 LYS A 2 14.812 6.105 -14.432 1.00 0.53 H new ATOM 40 N THR A 3 19.487 3.103 -20.279 1.00 0.38 N ATOM 41 CA THR A 3 20.753 3.290 -21.055 1.00 0.41 C ATOM 42 C THR A 3 20.469 4.093 -22.332 1.00 0.43 C ATOM 43 O THR A 3 21.061 5.130 -22.564 1.00 0.48 O ATOM 44 CB THR A 3 21.238 1.874 -21.401 1.00 0.47 C ATOM 45 OG1 THR A 3 20.144 1.084 -21.853 1.00 0.51 O ATOM 46 CG2 THR A 3 21.858 1.226 -20.161 1.00 0.53 C ATOM 0 H THR A 3 18.672 2.852 -20.838 1.00 0.38 H new ATOM 0 HA THR A 3 21.505 3.840 -20.489 1.00 0.41 H new ATOM 0 HB THR A 3 21.986 1.937 -22.191 1.00 0.47 H new ATOM 0 HG1 THR A 3 20.460 0.183 -22.074 1.00 0.51 H new ATOM 0 HG21 THR A 3 22.201 0.222 -20.409 1.00 0.53 H new ATOM 0 HG22 THR A 3 22.703 1.825 -19.821 1.00 0.53 H new ATOM 0 HG23 THR A 3 21.112 1.169 -19.369 1.00 0.53 H new ATOM 54 N LYS A 4 19.565 3.620 -23.154 1.00 0.44 N ATOM 55 CA LYS A 4 19.230 4.350 -24.415 1.00 0.51 C ATOM 56 C LYS A 4 17.774 4.066 -24.815 1.00 0.51 C ATOM 57 O LYS A 4 17.482 3.727 -25.948 1.00 0.65 O ATOM 58 CB LYS A 4 20.205 3.799 -25.461 1.00 0.61 C ATOM 59 CG LYS A 4 20.414 4.839 -26.568 1.00 0.70 C ATOM 60 CD LYS A 4 21.601 5.740 -26.211 1.00 0.89 C ATOM 61 CE LYS A 4 21.299 7.180 -26.637 1.00 1.05 C ATOM 62 NZ LYS A 4 21.979 8.039 -25.625 1.00 1.41 N ATOM 0 H LYS A 4 19.043 2.756 -23.005 1.00 0.44 H new ATOM 0 HA LYS A 4 19.321 5.431 -24.311 1.00 0.51 H new ATOM 0 HB2 LYS A 4 21.158 3.556 -24.992 1.00 0.61 H new ATOM 0 HB3 LYS A 4 19.814 2.874 -25.886 1.00 0.61 H new ATOM 0 HG2 LYS A 4 20.597 4.340 -27.520 1.00 0.70 H new ATOM 0 HG3 LYS A 4 19.513 5.440 -26.691 1.00 0.70 H new ATOM 0 HD2 LYS A 4 21.792 5.700 -25.139 1.00 0.89 H new ATOM 0 HD3 LYS A 4 22.503 5.384 -26.709 1.00 0.89 H new ATOM 0 HE2 LYS A 4 21.675 7.381 -27.640 1.00 1.05 H new ATOM 0 HE3 LYS A 4 20.226 7.368 -26.655 1.00 1.05 H new ATOM 0 HZ1 LYS A 4 21.873 9.039 -25.891 1.00 1.41 H new ATOM 0 HZ2 LYS A 4 21.550 7.881 -24.691 1.00 1.41 H new ATOM 0 HZ3 LYS A 4 22.990 7.797 -25.587 1.00 1.41 H new ATOM 76 N LEU A 5 16.858 4.200 -23.885 1.00 0.44 N ATOM 77 CA LEU A 5 15.419 3.936 -24.193 1.00 0.45 C ATOM 78 C LEU A 5 14.621 5.246 -24.216 1.00 0.43 C ATOM 79 O LEU A 5 15.051 6.257 -23.689 1.00 0.49 O ATOM 80 CB LEU A 5 14.929 3.035 -23.051 1.00 0.50 C ATOM 81 CG LEU A 5 14.776 1.587 -23.538 1.00 0.64 C ATOM 82 CD1 LEU A 5 13.807 1.533 -24.722 1.00 0.75 C ATOM 83 CD2 LEU A 5 16.141 1.036 -23.965 1.00 0.72 C ATOM 0 H LEU A 5 17.047 4.482 -22.923 1.00 0.44 H new ATOM 0 HA LEU A 5 15.290 3.472 -25.171 1.00 0.45 H new ATOM 0 HB2 LEU A 5 15.635 3.073 -22.221 1.00 0.50 H new ATOM 0 HB3 LEU A 5 13.974 3.401 -22.675 1.00 0.50 H new ATOM 0 HG LEU A 5 14.380 0.980 -22.724 1.00 0.64 H new ATOM 0 HD11 LEU A 5 13.704 0.502 -25.061 1.00 0.75 H new ATOM 0 HD12 LEU A 5 12.833 1.912 -24.413 1.00 0.75 H new ATOM 0 HD13 LEU A 5 14.193 2.146 -25.536 1.00 0.75 H new ATOM 0 HD21 LEU A 5 16.027 0.008 -24.310 1.00 0.72 H new ATOM 0 HD22 LEU A 5 16.544 1.647 -24.773 1.00 0.72 H new ATOM 0 HD23 LEU A 5 16.825 1.060 -23.116 1.00 0.72 H new ATOM 95 N ASN A 6 13.456 5.228 -24.816 1.00 0.45 N ATOM 96 CA ASN A 6 12.611 6.461 -24.874 1.00 0.48 C ATOM 97 C ASN A 6 11.163 6.119 -24.510 1.00 0.45 C ATOM 98 O ASN A 6 10.581 5.196 -25.052 1.00 0.49 O ATOM 99 CB ASN A 6 12.705 6.951 -26.322 1.00 0.63 C ATOM 100 CG ASN A 6 13.610 8.183 -26.387 1.00 1.02 C ATOM 101 OD1 ASN A 6 14.788 8.070 -26.657 1.00 1.74 O ATOM 102 ND2 ASN A 6 13.107 9.364 -26.152 1.00 1.24 N ATOM 0 H ASN A 6 13.052 4.409 -25.270 1.00 0.45 H new ATOM 0 HA ASN A 6 12.946 7.225 -24.172 1.00 0.48 H new ATOM 0 HB2 ASN A 6 13.102 6.161 -26.959 1.00 0.63 H new ATOM 0 HB3 ASN A 6 11.712 7.196 -26.699 1.00 0.63 H new ATOM 0 HD21 ASN A 6 13.704 10.190 -26.195 1.00 1.24 H new ATOM 0 HD22 ASN A 6 12.117 9.461 -25.925 1.00 1.24 H new ATOM 109 N GLU A 7 10.581 6.860 -23.593 1.00 0.44 N ATOM 110 CA GLU A 7 9.167 6.597 -23.169 1.00 0.48 C ATOM 111 C GLU A 7 8.982 5.121 -22.782 1.00 0.46 C ATOM 112 O GLU A 7 8.216 4.397 -23.390 1.00 0.58 O ATOM 113 CB GLU A 7 8.305 6.962 -24.386 1.00 0.55 C ATOM 114 CG GLU A 7 7.397 8.141 -24.032 1.00 1.06 C ATOM 115 CD GLU A 7 8.228 9.424 -23.956 1.00 1.52 C ATOM 116 OE1 GLU A 7 8.406 10.053 -24.986 1.00 1.68 O ATOM 117 OE2 GLU A 7 8.674 9.755 -22.869 1.00 1.99 O ATOM 0 H GLU A 7 11.030 7.642 -23.117 1.00 0.44 H new ATOM 0 HA GLU A 7 8.889 7.180 -22.291 1.00 0.48 H new ATOM 0 HB2 GLU A 7 8.942 7.221 -25.232 1.00 0.55 H new ATOM 0 HB3 GLU A 7 7.704 6.105 -24.690 1.00 0.55 H new ATOM 0 HG2 GLU A 7 6.613 8.247 -24.782 1.00 1.06 H new ATOM 0 HG3 GLU A 7 6.903 7.959 -23.078 1.00 1.06 H new ATOM 124 N LEU A 8 9.689 4.670 -21.773 1.00 0.41 N ATOM 125 CA LEU A 8 9.564 3.243 -21.346 1.00 0.42 C ATOM 126 C LEU A 8 9.728 3.110 -19.826 1.00 0.39 C ATOM 127 O LEU A 8 8.998 2.381 -19.180 1.00 0.47 O ATOM 128 CB LEU A 8 10.701 2.518 -22.073 1.00 0.43 C ATOM 129 CG LEU A 8 10.241 1.114 -22.474 1.00 0.64 C ATOM 130 CD1 LEU A 8 9.962 1.076 -23.978 1.00 0.88 C ATOM 131 CD2 LEU A 8 11.338 0.103 -22.134 1.00 0.86 C ATOM 0 H LEU A 8 10.346 5.229 -21.228 1.00 0.41 H new ATOM 0 HA LEU A 8 8.585 2.829 -21.588 1.00 0.42 H new ATOM 0 HB2 LEU A 8 10.998 3.081 -22.958 1.00 0.43 H new ATOM 0 HB3 LEU A 8 11.577 2.454 -21.427 1.00 0.43 H new ATOM 0 HG LEU A 8 9.331 0.862 -21.930 1.00 0.64 H new ATOM 0 HD11 LEU A 8 9.635 0.076 -24.262 1.00 0.88 H new ATOM 0 HD12 LEU A 8 9.181 1.796 -24.221 1.00 0.88 H new ATOM 0 HD13 LEU A 8 10.871 1.329 -24.523 1.00 0.88 H new ATOM 0 HD21 LEU A 8 11.012 -0.897 -22.419 1.00 0.86 H new ATOM 0 HD22 LEU A 8 12.248 0.357 -22.678 1.00 0.86 H new ATOM 0 HD23 LEU A 8 11.537 0.128 -21.063 1.00 0.86 H new ATOM 143 N LEU A 9 10.684 3.801 -19.252 1.00 0.35 N ATOM 144 CA LEU A 9 10.904 3.708 -17.776 1.00 0.36 C ATOM 145 C LEU A 9 10.046 4.741 -17.037 1.00 0.37 C ATOM 146 O LEU A 9 9.310 4.404 -16.128 1.00 0.42 O ATOM 147 CB LEU A 9 12.394 4.007 -17.572 1.00 0.39 C ATOM 148 CG LEU A 9 13.242 2.962 -18.306 1.00 0.38 C ATOM 149 CD1 LEU A 9 13.857 3.588 -19.560 1.00 0.45 C ATOM 150 CD2 LEU A 9 14.359 2.470 -17.382 1.00 0.43 C ATOM 0 H LEU A 9 11.322 4.426 -19.744 1.00 0.35 H new ATOM 0 HA LEU A 9 10.626 2.729 -17.385 1.00 0.36 H new ATOM 0 HB2 LEU A 9 12.628 5.004 -17.944 1.00 0.39 H new ATOM 0 HB3 LEU A 9 12.633 4.000 -16.509 1.00 0.39 H new ATOM 0 HG LEU A 9 12.610 2.122 -18.593 1.00 0.38 H new ATOM 0 HD11 LEU A 9 14.459 2.843 -20.080 1.00 0.45 H new ATOM 0 HD12 LEU A 9 13.062 3.937 -20.219 1.00 0.45 H new ATOM 0 HD13 LEU A 9 14.488 4.430 -19.274 1.00 0.45 H new ATOM 0 HD21 LEU A 9 14.962 1.727 -17.904 1.00 0.43 H new ATOM 0 HD22 LEU A 9 14.989 3.311 -17.093 1.00 0.43 H new ATOM 0 HD23 LEU A 9 13.922 2.021 -16.490 1.00 0.43 H new ATOM 162 N GLU A 10 10.144 5.996 -17.418 1.00 0.36 N ATOM 163 CA GLU A 10 9.347 7.075 -16.744 1.00 0.40 C ATOM 164 C GLU A 10 9.635 7.099 -15.232 1.00 0.40 C ATOM 165 O GLU A 10 8.773 7.420 -14.434 1.00 0.50 O ATOM 166 CB GLU A 10 7.875 6.730 -17.020 1.00 0.45 C ATOM 167 CG GLU A 10 7.359 7.566 -18.195 1.00 0.46 C ATOM 168 CD GLU A 10 7.952 7.039 -19.507 1.00 0.54 C ATOM 169 OE1 GLU A 10 7.600 5.936 -19.895 1.00 0.64 O ATOM 170 OE2 GLU A 10 8.745 7.748 -20.100 1.00 0.73 O ATOM 0 H GLU A 10 10.747 6.321 -18.174 1.00 0.36 H new ATOM 0 HA GLU A 10 9.603 8.065 -17.121 1.00 0.40 H new ATOM 0 HB2 GLU A 10 7.777 5.668 -17.246 1.00 0.45 H new ATOM 0 HB3 GLU A 10 7.274 6.924 -16.132 1.00 0.45 H new ATOM 0 HG2 GLU A 10 6.271 7.523 -18.234 1.00 0.46 H new ATOM 0 HG3 GLU A 10 7.632 8.612 -18.056 1.00 0.46 H new ATOM 177 N PHE A 11 10.842 6.768 -14.837 1.00 0.35 N ATOM 178 CA PHE A 11 11.192 6.775 -13.383 1.00 0.36 C ATOM 179 C PHE A 11 12.194 7.901 -13.096 1.00 0.31 C ATOM 180 O PHE A 11 13.285 7.905 -13.634 1.00 0.28 O ATOM 181 CB PHE A 11 11.825 5.405 -13.119 1.00 0.38 C ATOM 182 CG PHE A 11 12.266 5.319 -11.676 1.00 0.42 C ATOM 183 CD1 PHE A 11 11.320 5.119 -10.664 1.00 0.57 C ATOM 184 CD2 PHE A 11 13.622 5.442 -11.351 1.00 0.48 C ATOM 185 CE1 PHE A 11 11.729 5.043 -9.328 1.00 0.65 C ATOM 186 CE2 PHE A 11 14.031 5.366 -10.015 1.00 0.57 C ATOM 187 CZ PHE A 11 13.084 5.166 -9.003 1.00 0.60 C ATOM 0 H PHE A 11 11.600 6.493 -15.461 1.00 0.35 H new ATOM 0 HA PHE A 11 10.325 6.947 -12.745 1.00 0.36 H new ATOM 0 HB2 PHE A 11 11.108 4.614 -13.338 1.00 0.38 H new ATOM 0 HB3 PHE A 11 12.678 5.254 -13.780 1.00 0.38 H new ATOM 0 HD1 PHE A 11 10.274 5.023 -10.914 1.00 0.57 H new ATOM 0 HD2 PHE A 11 14.353 5.596 -12.131 1.00 0.48 H new ATOM 0 HE1 PHE A 11 10.998 4.889 -8.548 1.00 0.65 H new ATOM 0 HE2 PHE A 11 15.077 5.462 -9.764 1.00 0.57 H new ATOM 0 HZ PHE A 11 13.400 5.107 -7.972 1.00 0.60 H new ATOM 197 N PRO A 12 11.790 8.825 -12.252 1.00 0.32 N ATOM 198 CA PRO A 12 12.667 9.973 -11.897 1.00 0.29 C ATOM 199 C PRO A 12 13.852 9.506 -11.050 1.00 0.27 C ATOM 200 O PRO A 12 13.705 9.147 -9.896 1.00 0.32 O ATOM 201 CB PRO A 12 11.746 10.897 -11.103 1.00 0.34 C ATOM 202 CG PRO A 12 10.681 10.002 -10.557 1.00 0.38 C ATOM 203 CD PRO A 12 10.499 8.887 -11.552 1.00 0.38 C ATOM 0 HA PRO A 12 13.102 10.465 -12.767 1.00 0.29 H new ATOM 0 HB2 PRO A 12 12.287 11.401 -10.302 1.00 0.34 H new ATOM 0 HB3 PRO A 12 11.322 11.674 -11.739 1.00 0.34 H new ATOM 0 HG2 PRO A 12 10.969 9.608 -9.583 1.00 0.38 H new ATOM 0 HG3 PRO A 12 9.750 10.550 -10.416 1.00 0.38 H new ATOM 0 HD2 PRO A 12 10.267 7.944 -11.057 1.00 0.38 H new ATOM 0 HD3 PRO A 12 9.680 9.096 -12.241 1.00 0.38 H new ATOM 211 N THR A 13 15.029 9.504 -11.625 1.00 0.24 N ATOM 212 CA THR A 13 16.238 9.058 -10.867 1.00 0.24 C ATOM 213 C THR A 13 17.363 10.098 -10.990 1.00 0.21 C ATOM 214 O THR A 13 17.528 10.711 -12.028 1.00 0.21 O ATOM 215 CB THR A 13 16.648 7.721 -11.507 1.00 0.26 C ATOM 216 OG1 THR A 13 17.809 7.222 -10.857 1.00 0.31 O ATOM 217 CG2 THR A 13 16.943 7.913 -12.998 1.00 0.29 C ATOM 0 H THR A 13 15.205 9.792 -12.588 1.00 0.24 H new ATOM 0 HA THR A 13 16.036 8.946 -9.802 1.00 0.24 H new ATOM 0 HB THR A 13 15.828 7.011 -11.397 1.00 0.26 H new ATOM 0 HG1 THR A 13 18.070 6.369 -11.263 1.00 0.31 H new ATOM 0 HG21 THR A 13 17.232 6.958 -13.438 1.00 0.29 H new ATOM 0 HG22 THR A 13 16.051 8.289 -13.500 1.00 0.29 H new ATOM 0 HG23 THR A 13 17.756 8.629 -13.119 1.00 0.29 H new ATOM 225 N PRO A 14 18.104 10.261 -9.916 1.00 0.22 N ATOM 226 CA PRO A 14 19.227 11.233 -9.903 1.00 0.22 C ATOM 227 C PRO A 14 20.388 10.720 -10.765 1.00 0.19 C ATOM 228 O PRO A 14 20.852 9.606 -10.600 1.00 0.26 O ATOM 229 CB PRO A 14 19.624 11.306 -8.430 1.00 0.27 C ATOM 230 CG PRO A 14 19.175 10.007 -7.843 1.00 0.30 C ATOM 231 CD PRO A 14 17.968 9.563 -8.629 1.00 0.29 C ATOM 0 HA PRO A 14 18.957 12.207 -10.311 1.00 0.22 H new ATOM 0 HB2 PRO A 14 20.700 11.439 -8.317 1.00 0.27 H new ATOM 0 HB3 PRO A 14 19.145 12.150 -7.934 1.00 0.27 H new ATOM 0 HG2 PRO A 14 19.969 9.262 -7.902 1.00 0.30 H new ATOM 0 HG3 PRO A 14 18.926 10.126 -6.788 1.00 0.30 H new ATOM 0 HD2 PRO A 14 17.954 8.481 -8.761 1.00 0.29 H new ATOM 0 HD3 PRO A 14 17.041 9.834 -8.124 1.00 0.29 H new ATOM 239 N PHE A 15 20.852 11.524 -11.688 1.00 0.17 N ATOM 240 CA PHE A 15 21.975 11.094 -12.573 1.00 0.17 C ATOM 241 C PHE A 15 23.260 11.848 -12.213 1.00 0.19 C ATOM 242 O PHE A 15 23.463 12.975 -12.629 1.00 0.21 O ATOM 243 CB PHE A 15 21.532 11.460 -13.994 1.00 0.19 C ATOM 244 CG PHE A 15 20.593 10.406 -14.539 1.00 0.19 C ATOM 245 CD1 PHE A 15 21.014 9.074 -14.645 1.00 0.32 C ATOM 246 CD2 PHE A 15 19.304 10.766 -14.948 1.00 0.21 C ATOM 247 CE1 PHE A 15 20.146 8.105 -15.159 1.00 0.37 C ATOM 248 CE2 PHE A 15 18.435 9.797 -15.461 1.00 0.25 C ATOM 249 CZ PHE A 15 18.856 8.466 -15.567 1.00 0.29 C ATOM 0 H PHE A 15 20.499 12.464 -11.867 1.00 0.17 H new ATOM 0 HA PHE A 15 22.187 10.030 -12.469 1.00 0.17 H new ATOM 0 HB2 PHE A 15 21.036 12.431 -13.989 1.00 0.19 H new ATOM 0 HB3 PHE A 15 22.404 11.550 -14.642 1.00 0.19 H new ATOM 0 HD1 PHE A 15 22.009 8.795 -14.330 1.00 0.32 H new ATOM 0 HD2 PHE A 15 18.980 11.793 -14.868 1.00 0.21 H new ATOM 0 HE1 PHE A 15 20.471 7.078 -15.241 1.00 0.37 H new ATOM 0 HE2 PHE A 15 17.440 10.076 -15.775 1.00 0.25 H new ATOM 0 HZ PHE A 15 18.186 7.718 -15.963 1.00 0.29 H new ATOM 259 N THR A 16 24.138 11.227 -11.464 1.00 0.22 N ATOM 260 CA THR A 16 25.424 11.902 -11.103 1.00 0.25 C ATOM 261 C THR A 16 26.325 11.905 -12.340 1.00 0.23 C ATOM 262 O THR A 16 27.034 10.951 -12.604 1.00 0.27 O ATOM 263 CB THR A 16 26.040 11.053 -9.982 1.00 0.30 C ATOM 264 OG1 THR A 16 25.055 10.783 -8.992 1.00 0.35 O ATOM 265 CG2 THR A 16 27.208 11.811 -9.343 1.00 0.38 C ATOM 0 H THR A 16 24.021 10.286 -11.088 1.00 0.22 H new ATOM 0 HA THR A 16 25.290 12.933 -10.775 1.00 0.25 H new ATOM 0 HB THR A 16 26.403 10.114 -10.401 1.00 0.30 H new ATOM 0 HG1 THR A 16 25.449 10.240 -8.278 1.00 0.35 H new ATOM 0 HG21 THR A 16 27.643 11.206 -8.548 1.00 0.38 H new ATOM 0 HG22 THR A 16 27.966 12.016 -10.099 1.00 0.38 H new ATOM 0 HG23 THR A 16 26.847 12.752 -8.927 1.00 0.38 H new ATOM 273 N TYR A 17 26.277 12.955 -13.120 1.00 0.21 N ATOM 274 CA TYR A 17 27.103 12.998 -14.362 1.00 0.20 C ATOM 275 C TYR A 17 28.307 13.926 -14.185 1.00 0.20 C ATOM 276 O TYR A 17 28.179 15.135 -14.175 1.00 0.24 O ATOM 277 CB TYR A 17 26.152 13.525 -15.444 1.00 0.21 C ATOM 278 CG TYR A 17 25.502 12.363 -16.167 1.00 0.21 C ATOM 279 CD1 TYR A 17 24.928 11.309 -15.441 1.00 0.27 C ATOM 280 CD2 TYR A 17 25.477 12.339 -17.566 1.00 0.28 C ATOM 281 CE1 TYR A 17 24.333 10.235 -16.115 1.00 0.31 C ATOM 282 CE2 TYR A 17 24.883 11.265 -18.240 1.00 0.31 C ATOM 283 CZ TYR A 17 24.310 10.213 -17.515 1.00 0.29 C ATOM 284 OH TYR A 17 23.728 9.153 -18.179 1.00 0.35 O ATOM 0 H TYR A 17 25.703 13.781 -12.950 1.00 0.21 H new ATOM 0 HA TYR A 17 27.513 12.021 -14.619 1.00 0.20 H new ATOM 0 HB2 TYR A 17 25.388 14.158 -14.992 1.00 0.21 H new ATOM 0 HB3 TYR A 17 26.701 14.145 -16.153 1.00 0.21 H new ATOM 0 HD1 TYR A 17 24.945 11.326 -14.361 1.00 0.27 H new ATOM 0 HD2 TYR A 17 25.917 13.150 -18.127 1.00 0.28 H new ATOM 0 HE1 TYR A 17 23.892 9.424 -15.555 1.00 0.31 H new ATOM 0 HE2 TYR A 17 24.867 11.248 -19.320 1.00 0.31 H new ATOM 0 HH TYR A 17 23.432 9.446 -19.066 1.00 0.35 H new ATOM 294 N LYS A 18 29.482 13.360 -14.055 1.00 0.19 N ATOM 295 CA LYS A 18 30.705 14.199 -13.889 1.00 0.19 C ATOM 296 C LYS A 18 31.145 14.740 -15.255 1.00 0.17 C ATOM 297 O LYS A 18 31.885 14.101 -15.980 1.00 0.19 O ATOM 298 CB LYS A 18 31.765 13.260 -13.303 1.00 0.23 C ATOM 299 CG LYS A 18 32.546 13.988 -12.204 1.00 0.53 C ATOM 300 CD LYS A 18 33.945 14.346 -12.716 1.00 0.79 C ATOM 301 CE LYS A 18 34.888 13.160 -12.493 1.00 0.96 C ATOM 302 NZ LYS A 18 36.261 13.728 -12.599 1.00 1.18 N ATOM 0 H LYS A 18 29.645 12.353 -14.057 1.00 0.19 H new ATOM 0 HA LYS A 18 30.539 15.059 -13.241 1.00 0.19 H new ATOM 0 HB2 LYS A 18 31.290 12.368 -12.895 1.00 0.23 H new ATOM 0 HB3 LYS A 18 32.445 12.928 -14.088 1.00 0.23 H new ATOM 0 HG2 LYS A 18 32.015 14.892 -11.905 1.00 0.53 H new ATOM 0 HG3 LYS A 18 32.623 13.356 -11.319 1.00 0.53 H new ATOM 0 HD2 LYS A 18 33.903 14.597 -13.776 1.00 0.79 H new ATOM 0 HD3 LYS A 18 34.321 15.226 -12.195 1.00 0.79 H new ATOM 0 HE2 LYS A 18 34.724 12.705 -11.516 1.00 0.96 H new ATOM 0 HE3 LYS A 18 34.725 12.382 -13.239 1.00 0.96 H new ATOM 0 HZ1 LYS A 18 36.961 12.972 -12.457 1.00 1.18 H new ATOM 0 HZ2 LYS A 18 36.391 14.148 -13.542 1.00 1.18 H new ATOM 0 HZ3 LYS A 18 36.390 14.461 -11.873 1.00 1.18 H new ATOM 316 N VAL A 19 30.689 15.916 -15.609 1.00 0.16 N ATOM 317 CA VAL A 19 31.069 16.507 -16.927 1.00 0.16 C ATOM 318 C VAL A 19 32.480 17.106 -16.833 1.00 0.16 C ATOM 319 O VAL A 19 32.665 18.225 -16.395 1.00 0.19 O ATOM 320 CB VAL A 19 30.021 17.597 -17.209 1.00 0.18 C ATOM 321 CG1 VAL A 19 30.167 18.092 -18.651 1.00 0.26 C ATOM 322 CG2 VAL A 19 28.610 17.028 -17.021 1.00 0.29 C ATOM 0 H VAL A 19 30.069 16.492 -15.040 1.00 0.16 H new ATOM 0 HA VAL A 19 31.087 15.767 -17.727 1.00 0.16 H new ATOM 0 HB VAL A 19 30.178 18.423 -16.515 1.00 0.18 H new ATOM 0 HG11 VAL A 19 29.423 18.864 -18.848 1.00 0.26 H new ATOM 0 HG12 VAL A 19 31.165 18.505 -18.795 1.00 0.26 H new ATOM 0 HG13 VAL A 19 30.016 17.260 -19.338 1.00 0.26 H new ATOM 0 HG21 VAL A 19 27.874 17.806 -17.223 1.00 0.29 H new ATOM 0 HG22 VAL A 19 28.458 16.197 -17.710 1.00 0.29 H new ATOM 0 HG23 VAL A 19 28.494 16.675 -15.996 1.00 0.29 H new ATOM 332 N MET A 20 33.474 16.355 -17.241 1.00 0.17 N ATOM 333 CA MET A 20 34.879 16.861 -17.178 1.00 0.20 C ATOM 334 C MET A 20 35.311 17.403 -18.546 1.00 0.18 C ATOM 335 O MET A 20 34.868 16.935 -19.580 1.00 0.24 O ATOM 336 CB MET A 20 35.724 15.645 -16.778 1.00 0.26 C ATOM 337 CG MET A 20 37.198 16.047 -16.672 1.00 0.31 C ATOM 338 SD MET A 20 38.131 14.722 -15.862 1.00 0.62 S ATOM 339 CE MET A 20 38.478 13.743 -17.344 1.00 0.93 C ATOM 0 H MET A 20 33.372 15.412 -17.615 1.00 0.17 H new ATOM 0 HA MET A 20 34.992 17.681 -16.468 1.00 0.20 H new ATOM 0 HB2 MET A 20 35.377 15.248 -15.824 1.00 0.26 H new ATOM 0 HB3 MET A 20 35.607 14.851 -17.516 1.00 0.26 H new ATOM 0 HG2 MET A 20 37.606 16.239 -17.665 1.00 0.31 H new ATOM 0 HG3 MET A 20 37.293 16.973 -16.104 1.00 0.31 H new ATOM 0 HE1 MET A 20 38.552 12.689 -17.075 1.00 0.93 H new ATOM 0 HE2 MET A 20 37.672 13.877 -18.066 1.00 0.93 H new ATOM 0 HE3 MET A 20 39.419 14.072 -17.785 1.00 0.93 H new ATOM 349 N GLY A 21 36.169 18.392 -18.554 1.00 0.21 N ATOM 350 CA GLY A 21 36.633 18.975 -19.848 1.00 0.23 C ATOM 351 C GLY A 21 37.355 20.298 -19.587 1.00 0.22 C ATOM 352 O GLY A 21 37.923 20.507 -18.529 1.00 0.26 O ATOM 0 H GLY A 21 36.568 18.821 -17.719 1.00 0.21 H new ATOM 0 HA2 GLY A 21 37.302 18.278 -20.353 1.00 0.23 H new ATOM 0 HA3 GLY A 21 35.783 19.138 -20.510 1.00 0.23 H new ATOM 356 N GLN A 22 37.339 21.194 -20.542 1.00 0.23 N ATOM 357 CA GLN A 22 38.028 22.507 -20.346 1.00 0.26 C ATOM 358 C GLN A 22 37.220 23.398 -19.392 1.00 0.26 C ATOM 359 O GLN A 22 36.005 23.457 -19.462 1.00 0.32 O ATOM 360 CB GLN A 22 38.105 23.136 -21.739 1.00 0.32 C ATOM 361 CG GLN A 22 39.358 24.012 -21.839 1.00 0.59 C ATOM 362 CD GLN A 22 40.602 23.123 -21.942 1.00 0.82 C ATOM 363 OE1 GLN A 22 40.731 22.341 -22.861 1.00 1.34 O ATOM 364 NE2 GLN A 22 41.532 23.213 -21.031 1.00 0.79 N ATOM 0 H GLN A 22 36.881 21.074 -21.445 1.00 0.23 H new ATOM 0 HA GLN A 22 39.017 22.387 -19.903 1.00 0.26 H new ATOM 0 HB2 GLN A 22 38.133 22.356 -22.500 1.00 0.32 H new ATOM 0 HB3 GLN A 22 37.214 23.735 -21.928 1.00 0.32 H new ATOM 0 HG2 GLN A 22 39.290 24.662 -22.711 1.00 0.59 H new ATOM 0 HG3 GLN A 22 39.432 24.658 -20.965 1.00 0.59 H new ATOM 0 HE21 GLN A 22 41.426 23.869 -20.257 1.00 0.79 H new ATOM 0 HE22 GLN A 22 42.365 22.627 -21.093 1.00 0.79 H new ATOM 373 N ALA A 23 37.892 24.088 -18.504 1.00 0.29 N ATOM 374 CA ALA A 23 37.183 24.981 -17.536 1.00 0.31 C ATOM 375 C ALA A 23 36.564 26.177 -18.268 1.00 0.26 C ATOM 376 O ALA A 23 37.262 27.004 -18.825 1.00 0.31 O ATOM 377 CB ALA A 23 38.261 25.452 -16.556 1.00 0.38 C ATOM 0 H ALA A 23 38.907 24.071 -18.408 1.00 0.29 H new ATOM 0 HA ALA A 23 36.369 24.465 -17.027 1.00 0.31 H new ATOM 0 HB1 ALA A 23 37.814 26.113 -15.814 1.00 0.38 H new ATOM 0 HB2 ALA A 23 38.700 24.589 -16.055 1.00 0.38 H new ATOM 0 HB3 ALA A 23 39.038 25.989 -17.100 1.00 0.38 H new ATOM 383 N LEU A 24 35.258 26.269 -18.268 1.00 0.26 N ATOM 384 CA LEU A 24 34.575 27.405 -18.959 1.00 0.28 C ATOM 385 C LEU A 24 33.519 28.029 -18.036 1.00 0.30 C ATOM 386 O LEU A 24 32.956 27.353 -17.195 1.00 0.31 O ATOM 387 CB LEU A 24 33.908 26.779 -20.187 1.00 0.34 C ATOM 388 CG LEU A 24 34.839 26.900 -21.396 1.00 0.49 C ATOM 389 CD1 LEU A 24 35.146 25.506 -21.952 1.00 0.67 C ATOM 390 CD2 LEU A 24 34.157 27.742 -22.478 1.00 0.77 C ATOM 0 H LEU A 24 34.632 25.602 -17.816 1.00 0.26 H new ATOM 0 HA LEU A 24 35.270 28.199 -19.232 1.00 0.28 H new ATOM 0 HB2 LEU A 24 33.680 25.731 -19.995 1.00 0.34 H new ATOM 0 HB3 LEU A 24 32.961 27.278 -20.393 1.00 0.34 H new ATOM 0 HG LEU A 24 35.769 27.379 -21.091 1.00 0.49 H new ATOM 0 HD11 LEU A 24 35.809 25.595 -22.813 1.00 0.67 H new ATOM 0 HD12 LEU A 24 35.630 24.906 -21.182 1.00 0.67 H new ATOM 0 HD13 LEU A 24 34.218 25.024 -22.258 1.00 0.67 H new ATOM 0 HD21 LEU A 24 34.817 27.830 -23.341 1.00 0.77 H new ATOM 0 HD22 LEU A 24 33.227 27.261 -22.781 1.00 0.77 H new ATOM 0 HD23 LEU A 24 33.941 28.735 -22.084 1.00 0.77 H new ATOM 402 N PRO A 25 33.282 29.306 -18.226 1.00 0.37 N ATOM 403 CA PRO A 25 32.276 30.029 -17.402 1.00 0.42 C ATOM 404 C PRO A 25 30.844 29.627 -17.798 1.00 0.40 C ATOM 405 O PRO A 25 29.925 29.730 -17.006 1.00 0.45 O ATOM 406 CB PRO A 25 32.538 31.499 -17.727 1.00 0.54 C ATOM 407 CG PRO A 25 33.172 31.491 -19.081 1.00 0.55 C ATOM 408 CD PRO A 25 33.918 30.189 -19.215 1.00 0.44 C ATOM 0 HA PRO A 25 32.362 29.806 -16.339 1.00 0.42 H new ATOM 0 HB2 PRO A 25 31.612 32.074 -17.729 1.00 0.54 H new ATOM 0 HB3 PRO A 25 33.195 31.956 -16.987 1.00 0.54 H new ATOM 0 HG2 PRO A 25 32.416 31.583 -19.861 1.00 0.55 H new ATOM 0 HG3 PRO A 25 33.850 32.337 -19.193 1.00 0.55 H new ATOM 0 HD2 PRO A 25 33.834 29.784 -20.223 1.00 0.44 H new ATOM 0 HD3 PRO A 25 34.981 30.316 -19.010 1.00 0.44 H new ATOM 416 N GLU A 26 30.647 29.172 -19.016 1.00 0.38 N ATOM 417 CA GLU A 26 29.274 28.770 -19.462 1.00 0.40 C ATOM 418 C GLU A 26 28.893 27.374 -18.938 1.00 0.37 C ATOM 419 O GLU A 26 27.767 26.944 -19.100 1.00 0.39 O ATOM 420 CB GLU A 26 29.332 28.770 -20.996 1.00 0.46 C ATOM 421 CG GLU A 26 30.219 27.620 -21.496 1.00 0.45 C ATOM 422 CD GLU A 26 29.343 26.476 -22.022 1.00 0.55 C ATOM 423 OE1 GLU A 26 28.811 26.615 -23.111 1.00 0.81 O ATOM 424 OE2 GLU A 26 29.221 25.479 -21.327 1.00 0.60 O ATOM 0 H GLU A 26 31.378 29.062 -19.719 1.00 0.38 H new ATOM 0 HA GLU A 26 28.518 29.454 -19.076 1.00 0.40 H new ATOM 0 HB2 GLU A 26 28.327 28.667 -21.405 1.00 0.46 H new ATOM 0 HB3 GLU A 26 29.725 29.722 -21.352 1.00 0.46 H new ATOM 0 HG2 GLU A 26 30.880 27.976 -22.286 1.00 0.45 H new ATOM 0 HG3 GLU A 26 30.854 27.261 -20.686 1.00 0.45 H new ATOM 431 N LEU A 27 29.810 26.659 -18.323 1.00 0.37 N ATOM 432 CA LEU A 27 29.474 25.292 -17.807 1.00 0.40 C ATOM 433 C LEU A 27 28.336 25.373 -16.782 1.00 0.38 C ATOM 434 O LEU A 27 27.287 24.792 -16.974 1.00 0.38 O ATOM 435 CB LEU A 27 30.758 24.771 -17.152 1.00 0.48 C ATOM 436 CG LEU A 27 31.266 23.547 -17.919 1.00 0.62 C ATOM 437 CD1 LEU A 27 32.652 23.843 -18.492 1.00 1.21 C ATOM 438 CD2 LEU A 27 31.351 22.349 -16.972 1.00 1.19 C ATOM 0 H LEU A 27 30.770 26.962 -18.158 1.00 0.37 H new ATOM 0 HA LEU A 27 29.135 24.630 -18.604 1.00 0.40 H new ATOM 0 HB2 LEU A 27 31.519 25.552 -17.148 1.00 0.48 H new ATOM 0 HB3 LEU A 27 30.566 24.507 -16.112 1.00 0.48 H new ATOM 0 HG LEU A 27 30.578 23.318 -18.733 1.00 0.62 H new ATOM 0 HD11 LEU A 27 33.014 22.972 -19.038 1.00 1.21 H new ATOM 0 HD12 LEU A 27 32.592 24.696 -19.168 1.00 1.21 H new ATOM 0 HD13 LEU A 27 33.340 24.073 -17.679 1.00 1.21 H new ATOM 0 HD21 LEU A 27 31.713 21.478 -17.519 1.00 1.19 H new ATOM 0 HD22 LEU A 27 32.038 22.577 -16.157 1.00 1.19 H new ATOM 0 HD23 LEU A 27 30.363 22.137 -16.564 1.00 1.19 H new ATOM 450 N VAL A 28 28.532 26.094 -15.702 1.00 0.41 N ATOM 451 CA VAL A 28 27.452 26.214 -14.667 1.00 0.42 C ATOM 452 C VAL A 28 26.210 26.904 -15.259 1.00 0.36 C ATOM 453 O VAL A 28 25.093 26.619 -14.867 1.00 0.37 O ATOM 454 CB VAL A 28 28.063 27.048 -13.530 1.00 0.51 C ATOM 455 CG1 VAL A 28 28.250 28.504 -13.976 1.00 0.53 C ATOM 456 CG2 VAL A 28 27.138 27.002 -12.308 1.00 0.57 C ATOM 0 H VAL A 28 29.390 26.603 -15.492 1.00 0.41 H new ATOM 0 HA VAL A 28 27.120 25.239 -14.309 1.00 0.42 H new ATOM 0 HB VAL A 28 29.036 26.631 -13.271 1.00 0.51 H new ATOM 0 HG11 VAL A 28 28.684 29.082 -13.160 1.00 0.53 H new ATOM 0 HG12 VAL A 28 28.916 28.538 -14.838 1.00 0.53 H new ATOM 0 HG13 VAL A 28 27.283 28.928 -14.247 1.00 0.53 H new ATOM 0 HG21 VAL A 28 27.571 27.593 -11.501 1.00 0.57 H new ATOM 0 HG22 VAL A 28 26.163 27.410 -12.574 1.00 0.57 H new ATOM 0 HG23 VAL A 28 27.021 25.970 -11.979 1.00 0.57 H new ATOM 466 N ASP A 29 26.396 27.799 -16.202 1.00 0.33 N ATOM 467 CA ASP A 29 25.227 28.496 -16.823 1.00 0.31 C ATOM 468 C ASP A 29 24.408 27.502 -17.655 1.00 0.25 C ATOM 469 O ASP A 29 23.226 27.324 -17.432 1.00 0.29 O ATOM 470 CB ASP A 29 25.836 29.585 -17.715 1.00 0.31 C ATOM 471 CG ASP A 29 24.724 30.316 -18.473 1.00 0.36 C ATOM 472 OD1 ASP A 29 23.994 31.063 -17.841 1.00 0.47 O ATOM 473 OD2 ASP A 29 24.621 30.113 -19.671 1.00 0.43 O ATOM 0 H ASP A 29 27.307 28.076 -16.567 1.00 0.33 H new ATOM 0 HA ASP A 29 24.552 28.920 -16.080 1.00 0.31 H new ATOM 0 HB2 ASP A 29 26.400 30.292 -17.107 1.00 0.31 H new ATOM 0 HB3 ASP A 29 26.538 29.140 -18.420 1.00 0.31 H new ATOM 478 N GLN A 30 25.030 26.845 -18.607 1.00 0.22 N ATOM 479 CA GLN A 30 24.291 25.852 -19.449 1.00 0.21 C ATOM 480 C GLN A 30 23.783 24.698 -18.584 1.00 0.20 C ATOM 481 O GLN A 30 22.690 24.213 -18.784 1.00 0.24 O ATOM 482 CB GLN A 30 25.307 25.350 -20.478 1.00 0.24 C ATOM 483 CG GLN A 30 24.572 24.921 -21.752 1.00 0.27 C ATOM 484 CD GLN A 30 24.579 26.070 -22.760 1.00 0.65 C ATOM 485 OE1 GLN A 30 23.642 26.841 -22.828 1.00 1.06 O ATOM 486 NE2 GLN A 30 25.604 26.219 -23.556 1.00 0.99 N ATOM 0 H GLN A 30 26.018 26.955 -18.836 1.00 0.22 H new ATOM 0 HA GLN A 30 23.419 26.295 -19.931 1.00 0.21 H new ATOM 0 HB2 GLN A 30 26.027 26.135 -20.707 1.00 0.24 H new ATOM 0 HB3 GLN A 30 25.870 24.511 -20.070 1.00 0.24 H new ATOM 0 HG2 GLN A 30 25.053 24.043 -22.183 1.00 0.27 H new ATOM 0 HG3 GLN A 30 23.546 24.639 -21.515 1.00 0.27 H new ATOM 0 HE21 GLN A 30 26.391 25.573 -23.500 1.00 0.99 H new ATOM 0 HE22 GLN A 30 25.617 26.982 -24.233 1.00 0.99 H new ATOM 495 N VAL A 31 24.561 24.263 -17.622 1.00 0.20 N ATOM 496 CA VAL A 31 24.114 23.142 -16.736 1.00 0.21 C ATOM 497 C VAL A 31 22.780 23.496 -16.065 1.00 0.21 C ATOM 498 O VAL A 31 21.839 22.736 -16.116 1.00 0.26 O ATOM 499 CB VAL A 31 25.233 22.982 -15.692 1.00 0.24 C ATOM 500 CG1 VAL A 31 24.665 22.419 -14.384 1.00 0.27 C ATOM 501 CG2 VAL A 31 26.300 22.024 -16.234 1.00 0.31 C ATOM 0 H VAL A 31 25.487 24.636 -17.412 1.00 0.20 H new ATOM 0 HA VAL A 31 23.949 22.218 -17.289 1.00 0.21 H new ATOM 0 HB VAL A 31 25.675 23.959 -15.495 1.00 0.24 H new ATOM 0 HG11 VAL A 31 25.468 22.311 -13.655 1.00 0.27 H new ATOM 0 HG12 VAL A 31 23.909 23.100 -13.993 1.00 0.27 H new ATOM 0 HG13 VAL A 31 24.213 21.445 -14.573 1.00 0.27 H new ATOM 0 HG21 VAL A 31 27.094 21.909 -15.496 1.00 0.31 H new ATOM 0 HG22 VAL A 31 25.848 21.053 -16.436 1.00 0.31 H new ATOM 0 HG23 VAL A 31 26.717 22.428 -17.156 1.00 0.31 H new ATOM 511 N VAL A 32 22.701 24.641 -15.433 1.00 0.21 N ATOM 512 CA VAL A 32 21.432 25.044 -14.745 1.00 0.23 C ATOM 513 C VAL A 32 20.281 25.218 -15.754 1.00 0.22 C ATOM 514 O VAL A 32 19.159 24.832 -15.489 1.00 0.25 O ATOM 515 CB VAL A 32 21.763 26.380 -14.060 1.00 0.26 C ATOM 516 CG1 VAL A 32 20.473 27.069 -13.604 1.00 0.34 C ATOM 517 CG2 VAL A 32 22.657 26.122 -12.843 1.00 0.32 C ATOM 0 H VAL A 32 23.462 25.317 -15.363 1.00 0.21 H new ATOM 0 HA VAL A 32 21.098 24.287 -14.035 1.00 0.23 H new ATOM 0 HB VAL A 32 22.283 27.024 -14.769 1.00 0.26 H new ATOM 0 HG11 VAL A 32 20.717 28.015 -13.120 1.00 0.34 H new ATOM 0 HG12 VAL A 32 19.836 27.258 -14.468 1.00 0.34 H new ATOM 0 HG13 VAL A 32 19.947 26.426 -12.899 1.00 0.34 H new ATOM 0 HG21 VAL A 32 22.892 27.069 -12.357 1.00 0.32 H new ATOM 0 HG22 VAL A 32 22.136 25.473 -12.140 1.00 0.32 H new ATOM 0 HG23 VAL A 32 23.580 25.641 -13.165 1.00 0.32 H new ATOM 527 N GLU A 33 20.548 25.803 -16.896 1.00 0.21 N ATOM 528 CA GLU A 33 19.460 26.011 -17.907 1.00 0.22 C ATOM 529 C GLU A 33 19.036 24.679 -18.547 1.00 0.21 C ATOM 530 O GLU A 33 17.862 24.364 -18.611 1.00 0.24 O ATOM 531 CB GLU A 33 20.064 26.942 -18.964 1.00 0.24 C ATOM 532 CG GLU A 33 19.703 28.395 -18.637 1.00 0.30 C ATOM 533 CD GLU A 33 20.968 29.164 -18.247 1.00 0.41 C ATOM 534 OE1 GLU A 33 21.686 29.574 -19.143 1.00 0.60 O ATOM 535 OE2 GLU A 33 21.195 29.330 -17.060 1.00 0.62 O ATOM 0 H GLU A 33 21.468 26.145 -17.173 1.00 0.21 H new ATOM 0 HA GLU A 33 18.565 26.433 -17.449 1.00 0.22 H new ATOM 0 HB2 GLU A 33 21.147 26.823 -18.991 1.00 0.24 H new ATOM 0 HB3 GLU A 33 19.689 26.677 -19.953 1.00 0.24 H new ATOM 0 HG2 GLU A 33 19.231 28.866 -19.499 1.00 0.30 H new ATOM 0 HG3 GLU A 33 18.981 28.426 -17.821 1.00 0.30 H new ATOM 542 N VAL A 34 19.979 23.908 -19.031 1.00 0.19 N ATOM 543 CA VAL A 34 19.630 22.604 -19.683 1.00 0.20 C ATOM 544 C VAL A 34 19.104 21.582 -18.657 1.00 0.21 C ATOM 545 O VAL A 34 18.322 20.715 -18.995 1.00 0.26 O ATOM 546 CB VAL A 34 20.933 22.122 -20.348 1.00 0.20 C ATOM 547 CG1 VAL A 34 21.929 21.625 -19.295 1.00 0.20 C ATOM 548 CG2 VAL A 34 20.618 20.987 -21.324 1.00 0.24 C ATOM 0 H VAL A 34 20.975 24.124 -19.003 1.00 0.19 H new ATOM 0 HA VAL A 34 18.827 22.720 -20.411 1.00 0.20 H new ATOM 0 HB VAL A 34 21.380 22.960 -20.883 1.00 0.20 H new ATOM 0 HG11 VAL A 34 22.842 21.289 -19.787 1.00 0.20 H new ATOM 0 HG12 VAL A 34 22.165 22.436 -18.606 1.00 0.20 H new ATOM 0 HG13 VAL A 34 21.489 20.795 -18.741 1.00 0.20 H new ATOM 0 HG21 VAL A 34 21.540 20.646 -21.795 1.00 0.24 H new ATOM 0 HG22 VAL A 34 20.159 20.159 -20.784 1.00 0.24 H new ATOM 0 HG23 VAL A 34 19.931 21.346 -22.090 1.00 0.24 H new ATOM 558 N VAL A 35 19.515 21.676 -17.412 1.00 0.21 N ATOM 559 CA VAL A 35 19.018 20.703 -16.386 1.00 0.23 C ATOM 560 C VAL A 35 17.650 21.141 -15.836 1.00 0.25 C ATOM 561 O VAL A 35 16.866 20.322 -15.398 1.00 0.30 O ATOM 562 CB VAL A 35 20.084 20.685 -15.281 1.00 0.24 C ATOM 563 CG1 VAL A 35 19.864 21.849 -14.312 1.00 0.25 C ATOM 564 CG2 VAL A 35 19.994 19.366 -14.513 1.00 0.27 C ATOM 0 H VAL A 35 20.168 22.379 -17.065 1.00 0.21 H new ATOM 0 HA VAL A 35 18.871 19.709 -16.809 1.00 0.23 H new ATOM 0 HB VAL A 35 21.069 20.784 -15.738 1.00 0.24 H new ATOM 0 HG11 VAL A 35 20.627 21.824 -13.534 1.00 0.25 H new ATOM 0 HG12 VAL A 35 19.930 22.792 -14.855 1.00 0.25 H new ATOM 0 HG13 VAL A 35 18.878 21.761 -13.856 1.00 0.25 H new ATOM 0 HG21 VAL A 35 20.750 19.350 -13.728 1.00 0.27 H new ATOM 0 HG22 VAL A 35 19.004 19.272 -14.066 1.00 0.27 H new ATOM 0 HG23 VAL A 35 20.164 18.534 -15.197 1.00 0.27 H new ATOM 574 N GLN A 36 17.359 22.422 -15.852 1.00 0.26 N ATOM 575 CA GLN A 36 16.043 22.899 -15.330 1.00 0.29 C ATOM 576 C GLN A 36 14.937 22.665 -16.370 1.00 0.30 C ATOM 577 O GLN A 36 13.830 22.289 -16.031 1.00 0.35 O ATOM 578 CB GLN A 36 16.230 24.396 -15.072 1.00 0.33 C ATOM 579 CG GLN A 36 14.909 25.002 -14.591 1.00 0.38 C ATOM 580 CD GLN A 36 15.177 25.977 -13.442 1.00 0.42 C ATOM 581 OE1 GLN A 36 15.615 27.088 -13.662 1.00 0.55 O ATOM 582 NE2 GLN A 36 14.933 25.604 -12.214 1.00 0.54 N ATOM 0 H GLN A 36 17.976 23.154 -16.204 1.00 0.26 H new ATOM 0 HA GLN A 36 15.745 22.366 -14.427 1.00 0.29 H new ATOM 0 HB2 GLN A 36 17.007 24.552 -14.324 1.00 0.33 H new ATOM 0 HB3 GLN A 36 16.560 24.894 -15.984 1.00 0.33 H new ATOM 0 HG2 GLN A 36 14.415 25.520 -15.413 1.00 0.38 H new ATOM 0 HG3 GLN A 36 14.234 24.212 -14.261 1.00 0.38 H new ATOM 0 HE21 GLN A 36 14.565 24.671 -12.028 1.00 0.54 H new ATOM 0 HE22 GLN A 36 15.110 26.246 -11.441 1.00 0.54 H new ATOM 591 N ARG A 37 15.226 22.888 -17.631 1.00 0.31 N ATOM 592 CA ARG A 37 14.189 22.680 -18.692 1.00 0.34 C ATOM 593 C ARG A 37 13.866 21.186 -18.874 1.00 0.35 C ATOM 594 O ARG A 37 12.828 20.835 -19.405 1.00 0.40 O ATOM 595 CB ARG A 37 14.794 23.266 -19.973 1.00 0.37 C ATOM 596 CG ARG A 37 15.906 22.350 -20.483 1.00 0.38 C ATOM 597 CD ARG A 37 16.633 23.020 -21.652 1.00 0.40 C ATOM 598 NE ARG A 37 17.452 21.936 -22.268 1.00 0.42 N ATOM 599 CZ ARG A 37 17.554 21.851 -23.569 1.00 0.63 C ATOM 600 NH1 ARG A 37 18.352 22.662 -24.216 1.00 0.81 N ATOM 601 NH2 ARG A 37 16.858 20.956 -24.220 1.00 1.00 N ATOM 0 H ARG A 37 16.134 23.205 -17.971 1.00 0.31 H new ATOM 0 HA ARG A 37 13.248 23.162 -18.428 1.00 0.34 H new ATOM 0 HB2 ARG A 37 14.022 23.375 -20.734 1.00 0.37 H new ATOM 0 HB3 ARG A 37 15.191 24.262 -19.777 1.00 0.37 H new ATOM 0 HG2 ARG A 37 16.610 22.135 -19.679 1.00 0.38 H new ATOM 0 HG3 ARG A 37 15.486 21.396 -20.802 1.00 0.38 H new ATOM 0 HD2 ARG A 37 15.926 23.437 -22.369 1.00 0.40 H new ATOM 0 HD3 ARG A 37 17.261 23.842 -21.308 1.00 0.40 H new ATOM 0 HE ARG A 37 17.933 21.261 -21.674 1.00 0.42 H new ATOM 0 HH11 ARG A 37 18.894 23.359 -23.705 1.00 0.81 H new ATOM 0 HH12 ARG A 37 18.432 22.597 -25.231 1.00 0.81 H new ATOM 0 HH21 ARG A 37 16.237 20.326 -23.713 1.00 1.00 H new ATOM 0 HH22 ARG A 37 16.936 20.888 -25.235 1.00 1.00 H new ATOM 615 N HIS A 38 14.742 20.305 -18.445 1.00 0.34 N ATOM 616 CA HIS A 38 14.473 18.840 -18.604 1.00 0.37 C ATOM 617 C HIS A 38 14.103 18.206 -17.258 1.00 0.37 C ATOM 618 O HIS A 38 13.154 17.450 -17.164 1.00 0.44 O ATOM 619 CB HIS A 38 15.781 18.247 -19.136 1.00 0.37 C ATOM 620 CG HIS A 38 15.619 17.906 -20.591 1.00 0.51 C ATOM 621 ND1 HIS A 38 14.712 16.956 -21.033 1.00 0.74 N ATOM 622 CD2 HIS A 38 16.245 18.379 -21.717 1.00 0.59 C ATOM 623 CE1 HIS A 38 14.815 16.889 -22.374 1.00 0.87 C ATOM 624 NE2 HIS A 38 15.736 17.737 -22.841 1.00 0.79 N ATOM 0 H HIS A 38 15.627 20.537 -17.994 1.00 0.34 H new ATOM 0 HA HIS A 38 13.636 18.653 -19.277 1.00 0.37 H new ATOM 0 HB2 HIS A 38 16.595 18.960 -19.007 1.00 0.37 H new ATOM 0 HB3 HIS A 38 16.046 17.354 -18.569 1.00 0.37 H new ATOM 0 HD2 HIS A 38 17.016 19.135 -21.729 1.00 0.59 H new ATOM 0 HE1 HIS A 38 14.226 16.231 -22.995 1.00 0.87 H new ATOM 0 HE2 HIS A 38 16.008 17.882 -23.813 1.00 0.79 H new ATOM 632 N ALA A 39 14.839 18.510 -16.218 1.00 0.35 N ATOM 633 CA ALA A 39 14.528 17.928 -14.876 1.00 0.39 C ATOM 634 C ALA A 39 13.842 18.981 -13.993 1.00 0.39 C ATOM 635 O ALA A 39 14.089 20.163 -14.137 1.00 0.38 O ATOM 636 CB ALA A 39 15.883 17.524 -14.290 1.00 0.42 C ATOM 0 H ALA A 39 15.643 19.137 -16.241 1.00 0.35 H new ATOM 0 HA ALA A 39 13.850 17.077 -14.939 1.00 0.39 H new ATOM 0 HB1 ALA A 39 15.737 17.087 -13.302 1.00 0.42 H new ATOM 0 HB2 ALA A 39 16.358 16.792 -14.943 1.00 0.42 H new ATOM 0 HB3 ALA A 39 16.520 18.404 -14.207 1.00 0.42 H new ATOM 642 N PRO A 40 12.996 18.514 -13.102 1.00 0.43 N ATOM 643 CA PRO A 40 12.263 19.432 -12.190 1.00 0.45 C ATOM 644 C PRO A 40 13.213 20.029 -11.147 1.00 0.43 C ATOM 645 O PRO A 40 14.085 19.358 -10.631 1.00 0.46 O ATOM 646 CB PRO A 40 11.224 18.532 -11.530 1.00 0.54 C ATOM 647 CG PRO A 40 11.798 17.156 -11.614 1.00 0.57 C ATOM 648 CD PRO A 40 12.646 17.108 -12.858 1.00 0.52 C ATOM 0 HA PRO A 40 11.816 20.280 -12.709 1.00 0.45 H new ATOM 0 HB2 PRO A 40 11.049 18.824 -10.495 1.00 0.54 H new ATOM 0 HB3 PRO A 40 10.265 18.592 -12.045 1.00 0.54 H new ATOM 0 HG2 PRO A 40 12.396 16.933 -10.731 1.00 0.57 H new ATOM 0 HG3 PRO A 40 11.005 16.409 -11.659 1.00 0.57 H new ATOM 0 HD2 PRO A 40 13.535 16.495 -12.712 1.00 0.52 H new ATOM 0 HD3 PRO A 40 12.099 16.681 -13.698 1.00 0.52 H new ATOM 656 N GLY A 41 13.045 21.288 -10.839 1.00 0.44 N ATOM 657 CA GLY A 41 13.934 21.946 -9.836 1.00 0.45 C ATOM 658 C GLY A 41 15.232 22.401 -10.515 1.00 0.44 C ATOM 659 O GLY A 41 15.480 22.098 -11.669 1.00 0.56 O ATOM 0 H GLY A 41 12.327 21.892 -11.241 1.00 0.44 H new ATOM 0 HA2 GLY A 41 13.426 22.802 -9.391 1.00 0.45 H new ATOM 0 HA3 GLY A 41 14.160 21.253 -9.026 1.00 0.45 H new ATOM 663 N ASP A 42 16.062 23.124 -9.805 1.00 0.39 N ATOM 664 CA ASP A 42 17.347 23.599 -10.402 1.00 0.37 C ATOM 665 C ASP A 42 18.510 22.718 -9.933 1.00 0.35 C ATOM 666 O ASP A 42 18.530 22.250 -8.809 1.00 0.47 O ATOM 667 CB ASP A 42 17.520 25.034 -9.892 1.00 0.42 C ATOM 668 CG ASP A 42 18.437 25.808 -10.840 1.00 0.45 C ATOM 669 OD1 ASP A 42 19.644 25.695 -10.695 1.00 0.50 O ATOM 670 OD2 ASP A 42 17.917 26.504 -11.697 1.00 0.57 O ATOM 0 H ASP A 42 15.905 23.406 -8.837 1.00 0.39 H new ATOM 0 HA ASP A 42 17.335 23.553 -11.491 1.00 0.37 H new ATOM 0 HB2 ASP A 42 16.550 25.526 -9.825 1.00 0.42 H new ATOM 0 HB3 ASP A 42 17.943 25.025 -8.887 1.00 0.42 H new ATOM 675 N TYR A 43 19.476 22.489 -10.787 1.00 0.29 N ATOM 676 CA TYR A 43 20.644 21.637 -10.398 1.00 0.28 C ATOM 677 C TYR A 43 21.958 22.358 -10.716 1.00 0.28 C ATOM 678 O TYR A 43 21.977 23.343 -11.434 1.00 0.32 O ATOM 679 CB TYR A 43 20.509 20.367 -11.237 1.00 0.29 C ATOM 680 CG TYR A 43 19.300 19.582 -10.779 1.00 0.30 C ATOM 681 CD1 TYR A 43 19.359 18.829 -9.599 1.00 0.37 C ATOM 682 CD2 TYR A 43 18.120 19.615 -11.531 1.00 0.34 C ATOM 683 CE1 TYR A 43 18.238 18.107 -9.174 1.00 0.40 C ATOM 684 CE2 TYR A 43 16.999 18.895 -11.104 1.00 0.36 C ATOM 685 CZ TYR A 43 17.058 18.141 -9.926 1.00 0.36 C ATOM 686 OH TYR A 43 15.950 17.434 -9.505 1.00 0.41 O ATOM 0 H TYR A 43 19.507 22.855 -11.738 1.00 0.29 H new ATOM 0 HA TYR A 43 20.655 21.418 -9.330 1.00 0.28 H new ATOM 0 HB2 TYR A 43 20.410 20.625 -12.291 1.00 0.29 H new ATOM 0 HB3 TYR A 43 21.408 19.758 -11.141 1.00 0.29 H new ATOM 0 HD1 TYR A 43 20.269 18.806 -9.018 1.00 0.37 H new ATOM 0 HD2 TYR A 43 18.075 20.196 -12.440 1.00 0.34 H new ATOM 0 HE1 TYR A 43 18.283 17.524 -8.266 1.00 0.40 H new ATOM 0 HE2 TYR A 43 16.088 18.921 -11.683 1.00 0.36 H new ATOM 0 HH TYR A 43 15.137 17.918 -9.759 1.00 0.41 H new ATOM 696 N THR A 44 23.057 21.884 -10.177 1.00 0.27 N ATOM 697 CA THR A 44 24.371 22.555 -10.441 1.00 0.27 C ATOM 698 C THR A 44 25.504 21.523 -10.579 1.00 0.26 C ATOM 699 O THR A 44 25.405 20.411 -10.075 1.00 0.27 O ATOM 700 CB THR A 44 24.629 23.472 -9.228 1.00 0.33 C ATOM 701 OG1 THR A 44 23.477 23.536 -8.393 1.00 0.62 O ATOM 702 CG2 THR A 44 24.974 24.880 -9.717 1.00 0.71 C ATOM 0 H THR A 44 23.101 21.066 -9.569 1.00 0.27 H new ATOM 0 HA THR A 44 24.342 23.116 -11.375 1.00 0.27 H new ATOM 0 HB THR A 44 25.459 23.062 -8.653 1.00 0.33 H new ATOM 0 HG1 THR A 44 23.660 24.121 -7.628 1.00 0.62 H new ATOM 0 HG21 THR A 44 25.156 25.528 -8.860 1.00 0.71 H new ATOM 0 HG22 THR A 44 25.868 24.840 -10.339 1.00 0.71 H new ATOM 0 HG23 THR A 44 24.143 25.276 -10.301 1.00 0.71 H new ATOM 710 N PRO A 45 26.553 21.940 -11.263 1.00 0.26 N ATOM 711 CA PRO A 45 27.743 21.091 -11.476 1.00 0.28 C ATOM 712 C PRO A 45 28.827 21.419 -10.432 1.00 0.30 C ATOM 713 O PRO A 45 29.144 22.573 -10.200 1.00 0.53 O ATOM 714 CB PRO A 45 28.205 21.520 -12.866 1.00 0.30 C ATOM 715 CG PRO A 45 27.692 22.926 -13.052 1.00 0.30 C ATOM 716 CD PRO A 45 26.728 23.232 -11.926 1.00 0.28 C ATOM 0 HA PRO A 45 27.542 20.023 -11.387 1.00 0.28 H new ATOM 0 HB2 PRO A 45 29.292 21.486 -12.945 1.00 0.30 H new ATOM 0 HB3 PRO A 45 27.809 20.854 -13.633 1.00 0.30 H new ATOM 0 HG2 PRO A 45 28.519 23.636 -13.047 1.00 0.30 H new ATOM 0 HG3 PRO A 45 27.193 23.024 -14.016 1.00 0.30 H new ATOM 0 HD2 PRO A 45 27.132 23.981 -11.245 1.00 0.28 H new ATOM 0 HD3 PRO A 45 25.782 23.621 -12.303 1.00 0.28 H new ATOM 724 N THR A 46 29.407 20.423 -9.810 1.00 0.23 N ATOM 725 CA THR A 46 30.479 20.687 -8.795 1.00 0.24 C ATOM 726 C THR A 46 31.857 20.614 -9.473 1.00 0.21 C ATOM 727 O THR A 46 32.446 19.555 -9.586 1.00 0.22 O ATOM 728 CB THR A 46 30.324 19.580 -7.744 1.00 0.30 C ATOM 729 OG1 THR A 46 28.985 19.562 -7.267 1.00 0.40 O ATOM 730 CG2 THR A 46 31.275 19.845 -6.573 1.00 0.39 C ATOM 0 H THR A 46 29.186 19.438 -9.959 1.00 0.23 H new ATOM 0 HA THR A 46 30.395 21.675 -8.343 1.00 0.24 H new ATOM 0 HB THR A 46 30.564 18.618 -8.197 1.00 0.30 H new ATOM 0 HG1 THR A 46 28.886 18.854 -6.597 1.00 0.40 H new ATOM 0 HG21 THR A 46 31.163 19.057 -5.828 1.00 0.39 H new ATOM 0 HG22 THR A 46 32.303 19.858 -6.935 1.00 0.39 H new ATOM 0 HG23 THR A 46 31.037 20.808 -6.122 1.00 0.39 H new ATOM 738 N VAL A 47 32.362 21.732 -9.939 1.00 0.21 N ATOM 739 CA VAL A 47 33.690 21.731 -10.634 1.00 0.20 C ATOM 740 C VAL A 47 34.851 21.622 -9.636 1.00 0.21 C ATOM 741 O VAL A 47 34.840 22.220 -8.576 1.00 0.26 O ATOM 742 CB VAL A 47 33.757 23.061 -11.402 1.00 0.23 C ATOM 743 CG1 VAL A 47 33.815 24.242 -10.424 1.00 0.29 C ATOM 744 CG2 VAL A 47 35.007 23.075 -12.292 1.00 0.25 C ATOM 0 H VAL A 47 31.912 22.645 -9.868 1.00 0.21 H new ATOM 0 HA VAL A 47 33.783 20.872 -11.298 1.00 0.20 H new ATOM 0 HB VAL A 47 32.863 23.157 -12.018 1.00 0.23 H new ATOM 0 HG11 VAL A 47 33.862 25.176 -10.984 1.00 0.29 H new ATOM 0 HG12 VAL A 47 32.923 24.239 -9.797 1.00 0.29 H new ATOM 0 HG13 VAL A 47 34.701 24.151 -9.795 1.00 0.29 H new ATOM 0 HG21 VAL A 47 35.055 24.018 -12.837 1.00 0.25 H new ATOM 0 HG22 VAL A 47 35.897 22.969 -11.671 1.00 0.25 H new ATOM 0 HG23 VAL A 47 34.958 22.248 -13.001 1.00 0.25 H new ATOM 754 N LYS A 48 35.860 20.865 -9.991 1.00 0.20 N ATOM 755 CA LYS A 48 37.050 20.706 -9.103 1.00 0.24 C ATOM 756 C LYS A 48 38.326 20.648 -9.960 1.00 0.23 C ATOM 757 O LYS A 48 38.270 20.280 -11.121 1.00 0.23 O ATOM 758 CB LYS A 48 36.824 19.388 -8.345 1.00 0.28 C ATOM 759 CG LYS A 48 36.940 18.194 -9.301 1.00 0.31 C ATOM 760 CD LYS A 48 36.136 17.011 -8.747 1.00 0.58 C ATOM 761 CE LYS A 48 34.814 16.885 -9.511 1.00 0.85 C ATOM 762 NZ LYS A 48 34.288 15.533 -9.169 1.00 1.57 N ATOM 0 H LYS A 48 35.909 20.346 -10.868 1.00 0.20 H new ATOM 0 HA LYS A 48 37.171 21.537 -8.409 1.00 0.24 H new ATOM 0 HB2 LYS A 48 37.556 19.292 -7.543 1.00 0.28 H new ATOM 0 HB3 LYS A 48 35.839 19.394 -7.878 1.00 0.28 H new ATOM 0 HG2 LYS A 48 36.569 18.468 -10.288 1.00 0.31 H new ATOM 0 HG3 LYS A 48 37.986 17.912 -9.421 1.00 0.31 H new ATOM 0 HD2 LYS A 48 36.712 16.090 -8.842 1.00 0.58 H new ATOM 0 HD3 LYS A 48 35.941 17.156 -7.684 1.00 0.58 H new ATOM 0 HE2 LYS A 48 34.113 17.666 -9.215 1.00 0.85 H new ATOM 0 HE3 LYS A 48 34.969 16.986 -10.585 1.00 0.85 H new ATOM 0 HZ1 LYS A 48 33.383 15.379 -9.658 1.00 1.57 H new ATOM 0 HZ2 LYS A 48 34.971 14.809 -9.468 1.00 1.57 H new ATOM 0 HZ3 LYS A 48 34.142 15.467 -8.141 1.00 1.57 H new ATOM 776 N PRO A 49 39.435 21.018 -9.363 1.00 0.29 N ATOM 777 CA PRO A 49 40.729 21.011 -10.094 1.00 0.32 C ATOM 778 C PRO A 49 41.193 19.568 -10.337 1.00 0.35 C ATOM 779 O PRO A 49 41.737 18.922 -9.459 1.00 0.47 O ATOM 780 CB PRO A 49 41.677 21.756 -9.154 1.00 0.44 C ATOM 781 CG PRO A 49 41.083 21.588 -7.792 1.00 0.49 C ATOM 782 CD PRO A 49 39.591 21.470 -7.973 1.00 0.40 C ATOM 0 HA PRO A 49 40.675 21.476 -11.078 1.00 0.32 H new ATOM 0 HB2 PRO A 49 42.684 21.341 -9.199 1.00 0.44 H new ATOM 0 HB3 PRO A 49 41.753 22.809 -9.424 1.00 0.44 H new ATOM 0 HG2 PRO A 49 41.484 20.700 -7.304 1.00 0.49 H new ATOM 0 HG3 PRO A 49 41.328 22.439 -7.157 1.00 0.49 H new ATOM 0 HD2 PRO A 49 39.159 20.757 -7.271 1.00 0.40 H new ATOM 0 HD3 PRO A 49 39.092 22.425 -7.805 1.00 0.40 H new ATOM 790 N SER A 50 40.967 19.058 -11.525 1.00 0.36 N ATOM 791 CA SER A 50 41.376 17.652 -11.837 1.00 0.46 C ATOM 792 C SER A 50 42.807 17.607 -12.396 1.00 0.47 C ATOM 793 O SER A 50 43.615 16.800 -11.974 1.00 0.51 O ATOM 794 CB SER A 50 40.366 17.158 -12.881 1.00 0.59 C ATOM 795 OG SER A 50 40.255 18.111 -13.932 1.00 0.61 O ATOM 0 H SER A 50 40.516 19.556 -12.293 1.00 0.36 H new ATOM 0 HA SER A 50 41.376 17.025 -10.945 1.00 0.46 H new ATOM 0 HB2 SER A 50 40.685 16.196 -13.282 1.00 0.59 H new ATOM 0 HB3 SER A 50 39.393 17.002 -12.414 1.00 0.59 H new ATOM 0 HG SER A 50 39.610 17.791 -14.597 1.00 0.61 H new ATOM 801 N SER A 51 43.126 18.459 -13.343 1.00 0.48 N ATOM 802 CA SER A 51 44.503 18.454 -13.931 1.00 0.56 C ATOM 803 C SER A 51 45.154 19.843 -13.814 1.00 0.54 C ATOM 804 O SER A 51 46.259 19.974 -13.321 1.00 0.61 O ATOM 805 CB SER A 51 44.301 18.069 -15.398 1.00 0.65 C ATOM 806 OG SER A 51 45.363 17.219 -15.813 1.00 1.18 O ATOM 0 H SER A 51 42.492 19.157 -13.733 1.00 0.48 H new ATOM 0 HA SER A 51 45.167 17.762 -13.413 1.00 0.56 H new ATOM 0 HB2 SER A 51 43.344 17.562 -15.524 1.00 0.65 H new ATOM 0 HB3 SER A 51 44.272 18.964 -16.020 1.00 0.65 H new ATOM 0 HG SER A 51 45.235 16.970 -16.752 1.00 1.18 H new ATOM 812 N LYS A 52 44.481 20.875 -14.269 1.00 0.51 N ATOM 813 CA LYS A 52 45.060 22.257 -14.193 1.00 0.52 C ATOM 814 C LYS A 52 43.939 23.300 -14.087 1.00 0.45 C ATOM 815 O LYS A 52 42.770 22.974 -14.153 1.00 0.41 O ATOM 816 CB LYS A 52 45.817 22.441 -15.514 1.00 0.59 C ATOM 817 CG LYS A 52 47.325 22.328 -15.274 1.00 0.64 C ATOM 818 CD LYS A 52 47.928 21.329 -16.264 1.00 1.05 C ATOM 819 CE LYS A 52 49.423 21.168 -15.976 1.00 1.78 C ATOM 820 NZ LYS A 52 49.765 19.788 -16.423 1.00 2.30 N ATOM 0 H LYS A 52 43.554 20.820 -14.691 1.00 0.51 H new ATOM 0 HA LYS A 52 45.703 22.383 -13.322 1.00 0.52 H new ATOM 0 HB2 LYS A 52 45.498 21.687 -16.234 1.00 0.59 H new ATOM 0 HB3 LYS A 52 45.581 23.414 -15.945 1.00 0.59 H new ATOM 0 HG2 LYS A 52 47.797 23.303 -15.393 1.00 0.64 H new ATOM 0 HG3 LYS A 52 47.518 22.004 -14.251 1.00 0.64 H new ATOM 0 HD2 LYS A 52 47.424 20.366 -16.179 1.00 1.05 H new ATOM 0 HD3 LYS A 52 47.779 21.677 -17.286 1.00 1.05 H new ATOM 0 HE2 LYS A 52 50.009 21.912 -16.515 1.00 1.78 H new ATOM 0 HE3 LYS A 52 49.636 21.302 -14.915 1.00 1.78 H new ATOM 0 HZ1 LYS A 52 50.776 19.609 -16.255 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 49.198 19.099 -15.888 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 49.560 19.691 -17.438 1.00 2.30 H new ATOM 834 N GLY A 53 44.289 24.557 -13.947 1.00 0.48 N ATOM 835 CA GLY A 53 43.247 25.626 -13.866 1.00 0.46 C ATOM 836 C GLY A 53 42.481 25.691 -15.197 1.00 0.42 C ATOM 837 O GLY A 53 41.322 26.059 -15.237 1.00 0.44 O ATOM 0 H GLY A 53 45.252 24.887 -13.885 1.00 0.48 H new ATOM 0 HA2 GLY A 53 42.559 25.418 -13.047 1.00 0.46 H new ATOM 0 HA3 GLY A 53 43.713 26.588 -13.654 1.00 0.46 H new ATOM 841 N ASN A 54 43.124 25.325 -16.286 1.00 0.44 N ATOM 842 CA ASN A 54 42.444 25.350 -17.618 1.00 0.45 C ATOM 843 C ASN A 54 41.538 24.121 -17.784 1.00 0.41 C ATOM 844 O ASN A 54 40.551 24.171 -18.490 1.00 0.47 O ATOM 845 CB ASN A 54 43.576 25.317 -18.652 1.00 0.51 C ATOM 846 CG ASN A 54 43.464 26.530 -19.577 1.00 0.84 C ATOM 847 OD1 ASN A 54 42.764 26.487 -20.569 1.00 1.35 O ATOM 848 ND2 ASN A 54 44.130 27.617 -19.298 1.00 1.33 N ATOM 0 H ASN A 54 44.094 25.010 -16.305 1.00 0.44 H new ATOM 0 HA ASN A 54 41.811 26.230 -17.732 1.00 0.45 H new ATOM 0 HB2 ASN A 54 44.542 25.320 -18.148 1.00 0.51 H new ATOM 0 HB3 ASN A 54 43.523 24.397 -19.234 1.00 0.51 H new ATOM 0 HD21 ASN A 54 44.062 28.428 -19.912 1.00 1.33 H new ATOM 0 HD22 ASN A 54 44.718 27.655 -18.466 1.00 1.33 H new ATOM 855 N TYR A 55 41.866 23.022 -17.145 1.00 0.37 N ATOM 856 CA TYR A 55 41.020 21.793 -17.273 1.00 0.35 C ATOM 857 C TYR A 55 40.316 21.499 -15.942 1.00 0.32 C ATOM 858 O TYR A 55 40.951 21.263 -14.933 1.00 0.43 O ATOM 859 CB TYR A 55 41.998 20.671 -17.627 1.00 0.37 C ATOM 860 CG TYR A 55 41.236 19.518 -18.235 1.00 0.34 C ATOM 861 CD1 TYR A 55 40.963 19.507 -19.607 1.00 0.39 C ATOM 862 CD2 TYR A 55 40.801 18.462 -17.424 1.00 0.42 C ATOM 863 CE1 TYR A 55 40.255 18.440 -20.171 1.00 0.42 C ATOM 864 CE2 TYR A 55 40.092 17.394 -17.988 1.00 0.44 C ATOM 865 CZ TYR A 55 39.819 17.383 -19.361 1.00 0.41 C ATOM 866 OH TYR A 55 39.119 16.331 -19.916 1.00 0.48 O ATOM 0 H TYR A 55 42.682 22.924 -16.541 1.00 0.37 H new ATOM 0 HA TYR A 55 40.241 21.902 -18.027 1.00 0.35 H new ATOM 0 HB2 TYR A 55 42.749 21.035 -18.328 1.00 0.37 H new ATOM 0 HB3 TYR A 55 42.529 20.341 -16.734 1.00 0.37 H new ATOM 0 HD1 TYR A 55 41.299 20.322 -20.231 1.00 0.39 H new ATOM 0 HD2 TYR A 55 41.012 18.471 -16.365 1.00 0.42 H new ATOM 0 HE1 TYR A 55 40.045 18.431 -21.230 1.00 0.42 H new ATOM 0 HE2 TYR A 55 39.756 16.579 -17.364 1.00 0.44 H new ATOM 0 HH TYR A 55 39.297 15.514 -19.405 1.00 0.48 H new ATOM 876 N HIS A 56 39.005 21.521 -15.934 1.00 0.23 N ATOM 877 CA HIS A 56 38.259 21.255 -14.665 1.00 0.21 C ATOM 878 C HIS A 56 37.166 20.204 -14.876 1.00 0.19 C ATOM 879 O HIS A 56 36.573 20.107 -15.935 1.00 0.23 O ATOM 880 CB HIS A 56 37.638 22.602 -14.292 1.00 0.23 C ATOM 881 CG HIS A 56 38.473 23.262 -13.229 1.00 0.26 C ATOM 882 ND1 HIS A 56 38.317 23.356 -11.868 1.00 0.41 N flip ATOM 883 CD2 HIS A 56 39.648 23.938 -13.523 1.00 0.29 C flip ATOM 884 CE1 HIS A 56 39.376 24.077 -11.324 1.00 0.45 C flip ATOM 885 NE2 HIS A 56 40.147 24.404 -12.363 1.00 0.37 N flip ATOM 0 H HIS A 56 38.421 21.711 -16.749 1.00 0.23 H new ATOM 0 HA HIS A 56 38.912 20.864 -13.885 1.00 0.21 H new ATOM 0 HB2 HIS A 56 37.577 23.243 -15.172 1.00 0.23 H new ATOM 0 HB3 HIS A 56 36.619 22.458 -13.932 1.00 0.23 H new ATOM 0 HD2 HIS A 56 40.083 24.067 -14.503 1.00 0.29 H new ATOM 0 HE1 HIS A 56 39.539 24.320 -10.284 1.00 0.45 H new ATOM 0 HE2 HIS A 56 41.010 24.942 -12.287 1.00 0.37 H new ATOM 893 N SER A 57 36.889 19.426 -13.858 1.00 0.20 N ATOM 894 CA SER A 57 35.823 18.385 -13.967 1.00 0.20 C ATOM 895 C SER A 57 34.662 18.754 -13.035 1.00 0.19 C ATOM 896 O SER A 57 34.859 18.995 -11.859 1.00 0.23 O ATOM 897 CB SER A 57 36.490 17.075 -13.534 1.00 0.25 C ATOM 898 OG SER A 57 36.811 17.133 -12.149 1.00 0.37 O ATOM 0 H SER A 57 37.358 19.468 -12.953 1.00 0.20 H new ATOM 0 HA SER A 57 35.414 18.299 -14.973 1.00 0.20 H new ATOM 0 HB2 SER A 57 35.823 16.235 -13.727 1.00 0.25 H new ATOM 0 HB3 SER A 57 37.394 16.905 -14.119 1.00 0.25 H new ATOM 0 HG SER A 57 37.236 16.293 -11.876 1.00 0.37 H new ATOM 904 N VAL A 58 33.460 18.825 -13.551 1.00 0.23 N ATOM 905 CA VAL A 58 32.300 19.209 -12.684 1.00 0.24 C ATOM 906 C VAL A 58 31.285 18.066 -12.582 1.00 0.26 C ATOM 907 O VAL A 58 31.006 17.384 -13.545 1.00 0.35 O ATOM 908 CB VAL A 58 31.665 20.450 -13.349 1.00 0.25 C ATOM 909 CG1 VAL A 58 32.755 21.364 -13.918 1.00 0.28 C ATOM 910 CG2 VAL A 58 30.728 20.022 -14.485 1.00 0.27 C ATOM 0 H VAL A 58 33.231 18.636 -14.527 1.00 0.23 H new ATOM 0 HA VAL A 58 32.623 19.424 -11.666 1.00 0.24 H new ATOM 0 HB VAL A 58 31.097 20.990 -12.592 1.00 0.25 H new ATOM 0 HG11 VAL A 58 32.293 22.235 -14.384 1.00 0.28 H new ATOM 0 HG12 VAL A 58 33.414 21.690 -13.113 1.00 0.28 H new ATOM 0 HG13 VAL A 58 33.335 20.819 -14.663 1.00 0.28 H new ATOM 0 HG21 VAL A 58 30.287 20.906 -14.945 1.00 0.27 H new ATOM 0 HG22 VAL A 58 31.294 19.467 -15.233 1.00 0.27 H new ATOM 0 HG23 VAL A 58 29.937 19.388 -14.085 1.00 0.27 H new ATOM 920 N SER A 59 30.715 17.871 -11.421 1.00 0.25 N ATOM 921 CA SER A 59 29.693 16.795 -11.247 1.00 0.28 C ATOM 922 C SER A 59 28.302 17.433 -11.221 1.00 0.26 C ATOM 923 O SER A 59 27.928 18.081 -10.260 1.00 0.28 O ATOM 924 CB SER A 59 30.020 16.137 -9.904 1.00 0.33 C ATOM 925 OG SER A 59 29.609 14.777 -9.937 1.00 0.73 O ATOM 0 H SER A 59 30.915 18.414 -10.581 1.00 0.25 H new ATOM 0 HA SER A 59 29.705 16.062 -12.053 1.00 0.28 H new ATOM 0 HB2 SER A 59 31.090 16.201 -9.705 1.00 0.33 H new ATOM 0 HB3 SER A 59 29.513 16.663 -9.095 1.00 0.33 H new ATOM 0 HG SER A 59 29.818 14.351 -9.079 1.00 0.73 H new ATOM 931 N ILE A 60 27.542 17.281 -12.275 1.00 0.25 N ATOM 932 CA ILE A 60 26.187 17.911 -12.311 1.00 0.25 C ATOM 933 C ILE A 60 25.108 16.935 -11.834 1.00 0.24 C ATOM 934 O ILE A 60 25.036 15.796 -12.266 1.00 0.28 O ATOM 935 CB ILE A 60 25.951 18.306 -13.780 1.00 0.29 C ATOM 936 CG1 ILE A 60 24.655 19.123 -13.877 1.00 0.31 C ATOM 937 CG2 ILE A 60 25.833 17.052 -14.657 1.00 0.32 C ATOM 938 CD1 ILE A 60 24.319 19.393 -15.347 1.00 0.34 C ATOM 0 H ILE A 60 27.799 16.751 -13.108 1.00 0.25 H new ATOM 0 HA ILE A 60 26.135 18.773 -11.646 1.00 0.25 H new ATOM 0 HB ILE A 60 26.794 18.901 -14.131 1.00 0.29 H new ATOM 0 HG12 ILE A 60 23.837 18.582 -13.401 1.00 0.31 H new ATOM 0 HG13 ILE A 60 24.768 20.066 -13.341 1.00 0.31 H new ATOM 0 HG21 ILE A 60 25.666 17.347 -15.693 1.00 0.32 H new ATOM 0 HG22 ILE A 60 26.753 16.472 -14.588 1.00 0.32 H new ATOM 0 HG23 ILE A 60 24.995 16.445 -14.313 1.00 0.32 H new ATOM 0 HD11 ILE A 60 23.398 19.973 -15.409 1.00 0.34 H new ATOM 0 HD12 ILE A 60 25.132 19.952 -15.809 1.00 0.34 H new ATOM 0 HD13 ILE A 60 24.187 18.446 -15.870 1.00 0.34 H new ATOM 950 N THR A 61 24.255 17.394 -10.950 1.00 0.22 N ATOM 951 CA THR A 61 23.150 16.518 -10.447 1.00 0.23 C ATOM 952 C THR A 61 21.953 16.645 -11.397 1.00 0.20 C ATOM 953 O THR A 61 21.522 17.737 -11.706 1.00 0.32 O ATOM 954 CB THR A 61 22.804 17.057 -9.053 1.00 0.29 C ATOM 955 OG1 THR A 61 23.960 17.015 -8.228 1.00 0.43 O ATOM 956 CG2 THR A 61 21.701 16.199 -8.428 1.00 0.30 C ATOM 0 H THR A 61 24.276 18.335 -10.556 1.00 0.22 H new ATOM 0 HA THR A 61 23.427 15.465 -10.399 1.00 0.23 H new ATOM 0 HB THR A 61 22.456 18.086 -9.141 1.00 0.29 H new ATOM 0 HG1 THR A 61 23.739 17.361 -7.338 1.00 0.43 H new ATOM 0 HG21 THR A 61 21.457 16.584 -7.438 1.00 0.30 H new ATOM 0 HG22 THR A 61 20.813 16.232 -9.059 1.00 0.30 H new ATOM 0 HG23 THR A 61 22.046 15.169 -8.342 1.00 0.30 H new ATOM 964 N ILE A 62 21.424 15.548 -11.883 1.00 0.20 N ATOM 965 CA ILE A 62 20.269 15.645 -12.831 1.00 0.19 C ATOM 966 C ILE A 62 19.202 14.590 -12.514 1.00 0.21 C ATOM 967 O ILE A 62 19.348 13.430 -12.847 1.00 0.29 O ATOM 968 CB ILE A 62 20.869 15.398 -14.223 1.00 0.21 C ATOM 969 CG1 ILE A 62 21.879 16.507 -14.551 1.00 0.23 C ATOM 970 CG2 ILE A 62 19.747 15.399 -15.270 1.00 0.25 C ATOM 971 CD1 ILE A 62 22.412 16.332 -15.976 1.00 0.29 C ATOM 0 H ILE A 62 21.737 14.601 -11.668 1.00 0.20 H new ATOM 0 HA ILE A 62 19.774 16.614 -12.760 1.00 0.19 H new ATOM 0 HB ILE A 62 21.376 14.433 -14.234 1.00 0.21 H new ATOM 0 HG12 ILE A 62 21.404 17.483 -14.450 1.00 0.23 H new ATOM 0 HG13 ILE A 62 22.705 16.479 -13.840 1.00 0.23 H new ATOM 0 HG21 ILE A 62 20.172 15.224 -16.258 1.00 0.25 H new ATOM 0 HG22 ILE A 62 19.032 14.610 -15.037 1.00 0.25 H new ATOM 0 HG23 ILE A 62 19.240 16.364 -15.259 1.00 0.25 H new ATOM 0 HD11 ILE A 62 23.127 17.124 -16.197 1.00 0.29 H new ATOM 0 HD12 ILE A 62 22.905 15.364 -16.064 1.00 0.29 H new ATOM 0 HD13 ILE A 62 21.584 16.383 -16.683 1.00 0.29 H new ATOM 983 N ASN A 63 18.119 14.989 -11.895 1.00 0.25 N ATOM 984 CA ASN A 63 17.033 14.010 -11.585 1.00 0.28 C ATOM 985 C ASN A 63 16.113 13.876 -12.804 1.00 0.25 C ATOM 986 O ASN A 63 15.058 14.480 -12.872 1.00 0.34 O ATOM 987 CB ASN A 63 16.279 14.595 -10.387 1.00 0.35 C ATOM 988 CG ASN A 63 15.297 13.554 -9.844 1.00 0.37 C ATOM 989 OD1 ASN A 63 14.094 13.479 -10.350 1.00 0.44 O flip ATOM 990 ND2 ASN A 63 15.628 12.798 -8.951 1.00 0.41 N flip ATOM 0 H ASN A 63 17.940 15.946 -11.592 1.00 0.25 H new ATOM 0 HA ASN A 63 17.416 13.016 -11.354 1.00 0.28 H new ATOM 0 HB2 ASN A 63 16.983 14.887 -9.608 1.00 0.35 H new ATOM 0 HB3 ASN A 63 15.742 15.496 -10.686 1.00 0.35 H new ATOM 0 HD21 ASN A 63 16.566 12.856 -8.556 1.00 0.41 H new ATOM 0 HD22 ASN A 63 14.967 12.106 -8.597 1.00 0.41 H new ATOM 997 N ALA A 64 16.519 13.097 -13.774 1.00 0.23 N ATOM 998 CA ALA A 64 15.688 12.923 -15.002 1.00 0.23 C ATOM 999 C ALA A 64 14.935 11.590 -14.950 1.00 0.23 C ATOM 1000 O ALA A 64 15.485 10.569 -14.581 1.00 0.23 O ATOM 1001 CB ALA A 64 16.690 12.936 -16.162 1.00 0.23 C ATOM 0 H ALA A 64 17.394 12.572 -13.768 1.00 0.23 H new ATOM 0 HA ALA A 64 14.935 13.704 -15.107 1.00 0.23 H new ATOM 0 HB1 ALA A 64 16.157 12.813 -17.105 1.00 0.23 H new ATOM 0 HB2 ALA A 64 17.226 13.885 -16.169 1.00 0.23 H new ATOM 0 HB3 ALA A 64 17.401 12.119 -16.038 1.00 0.23 H new ATOM 1007 N THR A 65 13.676 11.594 -15.321 1.00 0.26 N ATOM 1008 CA THR A 65 12.876 10.326 -15.299 1.00 0.28 C ATOM 1009 C THR A 65 13.367 9.343 -16.378 1.00 0.27 C ATOM 1010 O THR A 65 13.036 8.174 -16.349 1.00 0.30 O ATOM 1011 CB THR A 65 11.424 10.746 -15.575 1.00 0.32 C ATOM 1012 OG1 THR A 65 11.362 11.514 -16.768 1.00 0.35 O ATOM 1013 CG2 THR A 65 10.898 11.578 -14.403 1.00 0.36 C ATOM 0 H THR A 65 13.168 12.420 -15.638 1.00 0.26 H new ATOM 0 HA THR A 65 12.975 9.812 -14.343 1.00 0.28 H new ATOM 0 HB THR A 65 10.810 9.853 -15.691 1.00 0.32 H new ATOM 0 HG1 THR A 65 12.260 11.593 -17.153 1.00 0.35 H new ATOM 0 HG21 THR A 65 9.868 11.875 -14.601 1.00 0.36 H new ATOM 0 HG22 THR A 65 10.935 10.984 -13.490 1.00 0.36 H new ATOM 0 HG23 THR A 65 11.515 12.468 -14.283 1.00 0.36 H new ATOM 1021 N HIS A 66 14.150 9.805 -17.323 1.00 0.24 N ATOM 1022 CA HIS A 66 14.657 8.892 -18.394 1.00 0.24 C ATOM 1023 C HIS A 66 16.174 9.046 -18.567 1.00 0.21 C ATOM 1024 O HIS A 66 16.754 10.048 -18.190 1.00 0.24 O ATOM 1025 CB HIS A 66 13.927 9.322 -19.668 1.00 0.29 C ATOM 1026 CG HIS A 66 13.189 8.142 -20.236 1.00 0.31 C ATOM 1027 ND1 HIS A 66 13.811 7.197 -21.036 1.00 0.32 N ATOM 1028 CD2 HIS A 66 11.886 7.734 -20.115 1.00 0.46 C ATOM 1029 CE1 HIS A 66 12.889 6.274 -21.363 1.00 0.40 C ATOM 1030 NE2 HIS A 66 11.698 6.554 -20.827 1.00 0.48 N ATOM 0 H HIS A 66 14.459 10.774 -17.398 1.00 0.24 H new ATOM 0 HA HIS A 66 14.475 7.845 -18.152 1.00 0.24 H new ATOM 0 HB2 HIS A 66 13.230 10.130 -19.447 1.00 0.29 H new ATOM 0 HB3 HIS A 66 14.640 9.706 -20.398 1.00 0.29 H new ATOM 0 HD1 HIS A 66 14.789 7.201 -21.324 1.00 0.32 H new ATOM 0 HD2 HIS A 66 11.122 8.250 -19.553 1.00 0.46 H new ATOM 0 HE1 HIS A 66 13.087 5.412 -21.983 1.00 0.40 H new ATOM 1038 N ILE A 67 16.814 8.062 -19.150 1.00 0.22 N ATOM 1039 CA ILE A 67 18.293 8.149 -19.368 1.00 0.23 C ATOM 1040 C ILE A 67 18.606 9.082 -20.551 1.00 0.22 C ATOM 1041 O ILE A 67 19.659 9.685 -20.608 1.00 0.28 O ATOM 1042 CB ILE A 67 18.753 6.714 -19.665 1.00 0.27 C ATOM 1043 CG1 ILE A 67 20.286 6.664 -19.698 1.00 0.32 C ATOM 1044 CG2 ILE A 67 18.204 6.253 -21.019 1.00 0.31 C ATOM 1045 CD1 ILE A 67 20.838 6.796 -18.276 1.00 0.40 C ATOM 0 H ILE A 67 16.377 7.203 -19.484 1.00 0.22 H new ATOM 0 HA ILE A 67 18.808 8.560 -18.500 1.00 0.23 H new ATOM 0 HB ILE A 67 18.378 6.054 -18.883 1.00 0.27 H new ATOM 0 HG12 ILE A 67 20.619 5.726 -20.142 1.00 0.32 H new ATOM 0 HG13 ILE A 67 20.672 7.468 -20.324 1.00 0.32 H new ATOM 0 HG21 ILE A 67 18.537 5.234 -21.219 1.00 0.31 H new ATOM 0 HG22 ILE A 67 17.115 6.282 -20.999 1.00 0.31 H new ATOM 0 HG23 ILE A 67 18.570 6.915 -21.804 1.00 0.31 H new ATOM 0 HD11 ILE A 67 21.927 6.760 -18.304 1.00 0.40 H new ATOM 0 HD12 ILE A 67 20.517 7.746 -17.848 1.00 0.40 H new ATOM 0 HD13 ILE A 67 20.463 5.976 -17.663 1.00 0.40 H new ATOM 1057 N GLU A 68 17.696 9.211 -21.490 1.00 0.24 N ATOM 1058 CA GLU A 68 17.942 10.110 -22.660 1.00 0.27 C ATOM 1059 C GLU A 68 17.888 11.583 -22.229 1.00 0.25 C ATOM 1060 O GLU A 68 18.511 12.434 -22.836 1.00 0.30 O ATOM 1061 CB GLU A 68 16.818 9.796 -23.655 1.00 0.33 C ATOM 1062 CG GLU A 68 17.423 9.364 -24.995 1.00 0.42 C ATOM 1063 CD GLU A 68 17.933 7.922 -24.895 1.00 0.47 C ATOM 1064 OE1 GLU A 68 18.968 7.720 -24.279 1.00 0.64 O ATOM 1065 OE2 GLU A 68 17.281 7.047 -25.438 1.00 0.58 O ATOM 0 H GLU A 68 16.795 8.732 -21.495 1.00 0.24 H new ATOM 0 HA GLU A 68 18.927 9.948 -23.097 1.00 0.27 H new ATOM 0 HB2 GLU A 68 16.180 9.005 -23.261 1.00 0.33 H new ATOM 0 HB3 GLU A 68 16.187 10.674 -23.795 1.00 0.33 H new ATOM 0 HG2 GLU A 68 16.675 9.441 -25.784 1.00 0.42 H new ATOM 0 HG3 GLU A 68 18.241 10.031 -25.266 1.00 0.42 H new ATOM 1072 N GLN A 69 17.154 11.888 -21.182 1.00 0.23 N ATOM 1073 CA GLN A 69 17.065 13.305 -20.705 1.00 0.23 C ATOM 1074 C GLN A 69 18.440 13.793 -20.233 1.00 0.20 C ATOM 1075 O GLN A 69 18.927 14.814 -20.677 1.00 0.24 O ATOM 1076 CB GLN A 69 16.081 13.274 -19.532 1.00 0.26 C ATOM 1077 CG GLN A 69 14.666 13.555 -20.040 1.00 0.88 C ATOM 1078 CD GLN A 69 13.694 13.549 -18.860 1.00 1.02 C ATOM 1079 OE1 GLN A 69 13.162 12.518 -18.504 1.00 1.17 O ATOM 1080 NE2 GLN A 69 13.441 14.664 -18.228 1.00 1.73 N ATOM 0 H GLN A 69 16.613 11.215 -20.638 1.00 0.23 H new ATOM 0 HA GLN A 69 16.737 13.982 -21.494 1.00 0.23 H new ATOM 0 HB2 GLN A 69 16.115 12.301 -19.041 1.00 0.26 H new ATOM 0 HB3 GLN A 69 16.365 14.017 -18.787 1.00 0.26 H new ATOM 0 HG2 GLN A 69 14.634 14.519 -20.547 1.00 0.88 H new ATOM 0 HG3 GLN A 69 14.373 12.801 -20.771 1.00 0.88 H new ATOM 0 HE21 GLN A 69 13.887 15.532 -18.526 1.00 1.73 H new ATOM 0 HE22 GLN A 69 12.797 14.667 -17.437 1.00 1.73 H new ATOM 1089 N VAL A 70 19.065 13.064 -19.339 1.00 0.20 N ATOM 1090 CA VAL A 70 20.414 13.479 -18.837 1.00 0.20 C ATOM 1091 C VAL A 70 21.453 13.414 -19.971 1.00 0.21 C ATOM 1092 O VAL A 70 22.421 14.151 -19.968 1.00 0.24 O ATOM 1093 CB VAL A 70 20.749 12.497 -17.703 1.00 0.21 C ATOM 1094 CG1 VAL A 70 21.004 11.095 -18.265 1.00 0.27 C ATOM 1095 CG2 VAL A 70 21.995 12.984 -16.960 1.00 0.22 C ATOM 0 H VAL A 70 18.700 12.201 -18.936 1.00 0.20 H new ATOM 0 HA VAL A 70 20.422 14.508 -18.478 1.00 0.20 H new ATOM 0 HB VAL A 70 19.903 12.451 -17.017 1.00 0.21 H new ATOM 0 HG11 VAL A 70 21.240 10.413 -17.448 1.00 0.27 H new ATOM 0 HG12 VAL A 70 20.113 10.744 -18.785 1.00 0.27 H new ATOM 0 HG13 VAL A 70 21.841 11.129 -18.962 1.00 0.27 H new ATOM 0 HG21 VAL A 70 22.234 12.289 -16.155 1.00 0.22 H new ATOM 0 HG22 VAL A 70 22.834 13.039 -17.654 1.00 0.22 H new ATOM 0 HG23 VAL A 70 21.806 13.972 -16.541 1.00 0.22 H new ATOM 1105 N GLU A 71 21.249 12.556 -20.949 1.00 0.22 N ATOM 1106 CA GLU A 71 22.214 12.468 -22.092 1.00 0.24 C ATOM 1107 C GLU A 71 22.188 13.785 -22.880 1.00 0.22 C ATOM 1108 O GLU A 71 23.218 14.369 -23.165 1.00 0.26 O ATOM 1109 CB GLU A 71 21.716 11.308 -22.962 1.00 0.28 C ATOM 1110 CG GLU A 71 22.728 10.159 -22.919 1.00 0.34 C ATOM 1111 CD GLU A 71 22.184 9.026 -22.044 1.00 0.34 C ATOM 1112 OE1 GLU A 71 21.426 8.217 -22.556 1.00 0.45 O ATOM 1113 OE2 GLU A 71 22.534 8.988 -20.876 1.00 0.46 O ATOM 0 H GLU A 71 20.457 11.916 -21.002 1.00 0.22 H new ATOM 0 HA GLU A 71 23.239 12.301 -21.761 1.00 0.24 H new ATOM 0 HB2 GLU A 71 20.745 10.964 -22.605 1.00 0.28 H new ATOM 0 HB3 GLU A 71 21.577 11.645 -23.989 1.00 0.28 H new ATOM 0 HG2 GLU A 71 22.920 9.793 -23.927 1.00 0.34 H new ATOM 0 HG3 GLU A 71 23.679 10.514 -22.522 1.00 0.34 H new ATOM 1120 N THR A 72 21.008 14.263 -23.209 1.00 0.22 N ATOM 1121 CA THR A 72 20.894 15.556 -23.955 1.00 0.24 C ATOM 1122 C THR A 72 21.426 16.699 -23.080 1.00 0.22 C ATOM 1123 O THR A 72 22.022 17.640 -23.571 1.00 0.26 O ATOM 1124 CB THR A 72 19.394 15.737 -24.226 1.00 0.28 C ATOM 1125 OG1 THR A 72 18.903 14.612 -24.945 1.00 0.33 O ATOM 1126 CG2 THR A 72 19.161 17.007 -25.048 1.00 0.38 C ATOM 0 H THR A 72 20.120 13.811 -22.992 1.00 0.22 H new ATOM 0 HA THR A 72 21.469 15.557 -24.881 1.00 0.24 H new ATOM 0 HB THR A 72 18.867 15.824 -23.276 1.00 0.28 H new ATOM 0 HG1 THR A 72 18.694 13.889 -24.318 1.00 0.33 H new ATOM 0 HG21 THR A 72 18.094 17.128 -25.236 1.00 0.38 H new ATOM 0 HG22 THR A 72 19.533 17.871 -24.497 1.00 0.38 H new ATOM 0 HG23 THR A 72 19.690 16.928 -25.998 1.00 0.38 H new ATOM 1134 N LEU A 73 21.223 16.611 -21.785 1.00 0.19 N ATOM 1135 CA LEU A 73 21.723 17.678 -20.860 1.00 0.21 C ATOM 1136 C LEU A 73 23.255 17.737 -20.918 1.00 0.21 C ATOM 1137 O LEU A 73 23.841 18.804 -20.931 1.00 0.26 O ATOM 1138 CB LEU A 73 21.243 17.257 -19.465 1.00 0.22 C ATOM 1139 CG LEU A 73 19.984 18.048 -19.081 1.00 0.23 C ATOM 1140 CD1 LEU A 73 18.917 17.913 -20.173 1.00 0.27 C ATOM 1141 CD2 LEU A 73 19.423 17.499 -17.766 1.00 0.28 C ATOM 0 H LEU A 73 20.731 15.843 -21.329 1.00 0.19 H new ATOM 0 HA LEU A 73 21.355 18.669 -21.126 1.00 0.21 H new ATOM 0 HB2 LEU A 73 21.029 16.188 -19.452 1.00 0.22 H new ATOM 0 HB3 LEU A 73 22.030 17.433 -18.732 1.00 0.22 H new ATOM 0 HG LEU A 73 20.249 19.099 -18.967 1.00 0.23 H new ATOM 0 HD11 LEU A 73 18.030 18.479 -19.887 1.00 0.27 H new ATOM 0 HD12 LEU A 73 19.308 18.301 -21.114 1.00 0.27 H new ATOM 0 HD13 LEU A 73 18.653 16.863 -20.296 1.00 0.27 H new ATOM 0 HD21 LEU A 73 18.529 18.058 -17.490 1.00 0.28 H new ATOM 0 HD22 LEU A 73 19.169 16.446 -17.890 1.00 0.28 H new ATOM 0 HD23 LEU A 73 20.172 17.601 -16.980 1.00 0.28 H new ATOM 1153 N TYR A 74 23.903 16.594 -20.977 1.00 0.22 N ATOM 1154 CA TYR A 74 25.397 16.573 -21.061 1.00 0.25 C ATOM 1155 C TYR A 74 25.844 17.209 -22.386 1.00 0.24 C ATOM 1156 O TYR A 74 26.771 17.994 -22.422 1.00 0.29 O ATOM 1157 CB TYR A 74 25.782 15.082 -20.999 1.00 0.28 C ATOM 1158 CG TYR A 74 27.042 14.821 -21.802 1.00 0.24 C ATOM 1159 CD1 TYR A 74 28.211 15.546 -21.535 1.00 0.26 C ATOM 1160 CD2 TYR A 74 27.035 13.854 -22.815 1.00 0.29 C ATOM 1161 CE1 TYR A 74 29.372 15.303 -22.281 1.00 0.29 C ATOM 1162 CE2 TYR A 74 28.196 13.611 -23.558 1.00 0.33 C ATOM 1163 CZ TYR A 74 29.364 14.336 -23.292 1.00 0.32 C ATOM 1164 OH TYR A 74 30.508 14.096 -24.026 1.00 0.41 O ATOM 0 H TYR A 74 23.459 15.676 -20.970 1.00 0.22 H new ATOM 0 HA TYR A 74 25.875 17.137 -20.260 1.00 0.25 H new ATOM 0 HB2 TYR A 74 25.937 14.784 -19.962 1.00 0.28 H new ATOM 0 HB3 TYR A 74 24.965 14.474 -21.387 1.00 0.28 H new ATOM 0 HD1 TYR A 74 28.217 16.292 -20.754 1.00 0.26 H new ATOM 0 HD2 TYR A 74 26.134 13.296 -23.023 1.00 0.29 H new ATOM 0 HE1 TYR A 74 30.273 15.862 -22.076 1.00 0.29 H new ATOM 0 HE2 TYR A 74 28.191 12.863 -24.337 1.00 0.33 H new ATOM 0 HH TYR A 74 31.169 14.795 -23.839 1.00 0.41 H new ATOM 1174 N GLU A 75 25.188 16.873 -23.472 1.00 0.23 N ATOM 1175 CA GLU A 75 25.572 17.456 -24.797 1.00 0.25 C ATOM 1176 C GLU A 75 25.304 18.968 -24.824 1.00 0.22 C ATOM 1177 O GLU A 75 26.019 19.714 -25.465 1.00 0.27 O ATOM 1178 CB GLU A 75 24.697 16.735 -25.827 1.00 0.30 C ATOM 1179 CG GLU A 75 25.580 16.170 -26.944 1.00 0.39 C ATOM 1180 CD GLU A 75 26.498 15.081 -26.379 1.00 0.54 C ATOM 1181 OE1 GLU A 75 26.003 13.998 -26.106 1.00 0.75 O ATOM 1182 OE2 GLU A 75 27.680 15.348 -26.228 1.00 0.63 O ATOM 0 H GLU A 75 24.404 16.221 -23.498 1.00 0.23 H new ATOM 0 HA GLU A 75 26.634 17.324 -25.003 1.00 0.25 H new ATOM 0 HB2 GLU A 75 24.141 15.930 -25.347 1.00 0.30 H new ATOM 0 HB3 GLU A 75 23.963 17.425 -26.243 1.00 0.30 H new ATOM 0 HG2 GLU A 75 24.958 15.758 -27.739 1.00 0.39 H new ATOM 0 HG3 GLU A 75 26.176 16.967 -27.387 1.00 0.39 H new ATOM 1189 N GLU A 76 24.283 19.425 -24.135 1.00 0.22 N ATOM 1190 CA GLU A 76 23.977 20.890 -24.126 1.00 0.22 C ATOM 1191 C GLU A 76 25.043 21.653 -23.332 1.00 0.21 C ATOM 1192 O GLU A 76 25.663 22.568 -23.841 1.00 0.28 O ATOM 1193 CB GLU A 76 22.609 21.021 -23.458 1.00 0.24 C ATOM 1194 CG GLU A 76 21.717 21.941 -24.299 1.00 0.28 C ATOM 1195 CD GLU A 76 22.054 23.403 -23.995 1.00 0.35 C ATOM 1196 OE1 GLU A 76 22.927 23.942 -24.657 1.00 0.51 O ATOM 1197 OE2 GLU A 76 21.432 23.962 -23.105 1.00 0.45 O ATOM 0 H GLU A 76 23.651 18.847 -23.581 1.00 0.22 H new ATOM 0 HA GLU A 76 23.972 21.309 -25.132 1.00 0.22 H new ATOM 0 HB2 GLU A 76 22.146 20.039 -23.358 1.00 0.24 H new ATOM 0 HB3 GLU A 76 22.721 21.425 -22.452 1.00 0.24 H new ATOM 0 HG2 GLU A 76 21.864 21.737 -25.359 1.00 0.28 H new ATOM 0 HG3 GLU A 76 20.667 21.746 -24.079 1.00 0.28 H new ATOM 1204 N LEU A 77 25.268 21.281 -22.093 1.00 0.20 N ATOM 1205 CA LEU A 77 26.303 21.986 -21.273 1.00 0.21 C ATOM 1206 C LEU A 77 27.713 21.651 -21.794 1.00 0.21 C ATOM 1207 O LEU A 77 28.632 22.438 -21.662 1.00 0.24 O ATOM 1208 CB LEU A 77 26.093 21.491 -19.828 1.00 0.22 C ATOM 1209 CG LEU A 77 27.064 20.349 -19.492 1.00 0.23 C ATOM 1210 CD1 LEU A 77 28.343 20.930 -18.881 1.00 0.29 C ATOM 1211 CD2 LEU A 77 26.414 19.393 -18.489 1.00 0.27 C ATOM 0 H LEU A 77 24.781 20.522 -21.616 1.00 0.20 H new ATOM 0 HA LEU A 77 26.209 23.071 -21.328 1.00 0.21 H new ATOM 0 HB2 LEU A 77 26.241 22.316 -19.132 1.00 0.22 H new ATOM 0 HB3 LEU A 77 25.066 21.149 -19.702 1.00 0.22 H new ATOM 0 HG LEU A 77 27.306 19.805 -20.405 1.00 0.23 H new ATOM 0 HD11 LEU A 77 29.033 20.120 -18.642 1.00 0.29 H new ATOM 0 HD12 LEU A 77 28.812 21.607 -19.595 1.00 0.29 H new ATOM 0 HD13 LEU A 77 28.096 21.476 -17.971 1.00 0.29 H new ATOM 0 HD21 LEU A 77 27.107 18.585 -18.255 1.00 0.27 H new ATOM 0 HD22 LEU A 77 26.167 19.936 -17.577 1.00 0.27 H new ATOM 0 HD23 LEU A 77 25.504 18.976 -18.921 1.00 0.27 H new ATOM 1223 N GLY A 78 27.883 20.490 -22.386 1.00 0.20 N ATOM 1224 CA GLY A 78 29.221 20.096 -22.918 1.00 0.22 C ATOM 1225 C GLY A 78 29.198 20.154 -24.448 1.00 0.20 C ATOM 1226 O GLY A 78 29.499 19.186 -25.118 1.00 0.22 O ATOM 0 H GLY A 78 27.146 19.798 -22.522 1.00 0.20 H new ATOM 0 HA2 GLY A 78 29.990 20.764 -22.529 1.00 0.22 H new ATOM 0 HA3 GLY A 78 29.475 19.090 -22.585 1.00 0.22 H new ATOM 1230 N LYS A 79 28.846 21.289 -24.998 1.00 0.20 N ATOM 1231 CA LYS A 79 28.805 21.434 -26.487 1.00 0.21 C ATOM 1232 C LYS A 79 29.994 22.277 -26.982 1.00 0.23 C ATOM 1233 O LYS A 79 30.095 22.582 -28.156 1.00 0.28 O ATOM 1234 CB LYS A 79 27.483 22.149 -26.781 1.00 0.25 C ATOM 1235 CG LYS A 79 26.979 21.741 -28.167 1.00 0.39 C ATOM 1236 CD LYS A 79 25.512 22.151 -28.323 1.00 0.62 C ATOM 1237 CE LYS A 79 24.657 20.907 -28.594 1.00 0.97 C ATOM 1238 NZ LYS A 79 23.332 21.200 -27.977 1.00 1.53 N ATOM 0 H LYS A 79 28.584 22.126 -24.478 1.00 0.20 H new ATOM 0 HA LYS A 79 28.872 20.471 -26.992 1.00 0.21 H new ATOM 0 HB2 LYS A 79 26.743 21.893 -26.023 1.00 0.25 H new ATOM 0 HB3 LYS A 79 27.624 23.229 -26.737 1.00 0.25 H new ATOM 0 HG2 LYS A 79 27.584 22.217 -28.939 1.00 0.39 H new ATOM 0 HG3 LYS A 79 27.082 20.664 -28.300 1.00 0.39 H new ATOM 0 HD2 LYS A 79 25.166 22.653 -27.419 1.00 0.62 H new ATOM 0 HD3 LYS A 79 25.408 22.862 -29.142 1.00 0.62 H new ATOM 0 HE2 LYS A 79 24.561 20.721 -29.664 1.00 0.97 H new ATOM 0 HE3 LYS A 79 25.107 20.017 -28.155 1.00 0.97 H new ATOM 0 HZ1 LYS A 79 22.884 20.310 -27.678 1.00 1.53 H new ATOM 0 HZ2 LYS A 79 23.463 21.817 -27.150 1.00 1.53 H new ATOM 0 HZ3 LYS A 79 22.723 21.677 -28.672 1.00 1.53 H new ATOM 1252 N ILE A 80 30.886 22.662 -26.096 1.00 0.24 N ATOM 1253 CA ILE A 80 32.061 23.493 -26.512 1.00 0.30 C ATOM 1254 C ILE A 80 32.948 22.706 -27.488 1.00 0.29 C ATOM 1255 O ILE A 80 33.091 21.503 -27.380 1.00 0.32 O ATOM 1256 CB ILE A 80 32.819 23.806 -25.211 1.00 0.34 C ATOM 1257 CG1 ILE A 80 31.885 24.522 -24.224 1.00 0.37 C ATOM 1258 CG2 ILE A 80 34.016 24.711 -25.512 1.00 0.45 C ATOM 1259 CD1 ILE A 80 31.722 23.671 -22.963 1.00 0.40 C ATOM 0 H ILE A 80 30.849 22.435 -25.102 1.00 0.24 H new ATOM 0 HA ILE A 80 31.759 24.405 -27.027 1.00 0.30 H new ATOM 0 HB ILE A 80 33.168 22.871 -24.773 1.00 0.34 H new ATOM 0 HG12 ILE A 80 32.293 25.499 -23.965 1.00 0.37 H new ATOM 0 HG13 ILE A 80 30.913 24.694 -24.687 1.00 0.37 H new ATOM 0 HG21 ILE A 80 34.549 24.929 -24.587 1.00 0.45 H new ATOM 0 HG22 ILE A 80 34.687 24.207 -26.207 1.00 0.45 H new ATOM 0 HG23 ILE A 80 33.665 25.642 -25.957 1.00 0.45 H new ATOM 0 HD11 ILE A 80 31.059 24.180 -22.264 1.00 0.40 H new ATOM 0 HD12 ILE A 80 31.295 22.704 -23.229 1.00 0.40 H new ATOM 0 HD13 ILE A 80 32.696 23.521 -22.497 1.00 0.40 H new ATOM 1271 N ASP A 81 33.539 23.384 -28.444 1.00 0.34 N ATOM 1272 CA ASP A 81 34.416 22.684 -29.440 1.00 0.38 C ATOM 1273 C ASP A 81 35.752 22.250 -28.812 1.00 0.37 C ATOM 1274 O ASP A 81 36.542 21.575 -29.445 1.00 0.44 O ATOM 1275 CB ASP A 81 34.659 23.712 -30.552 1.00 0.47 C ATOM 1276 CG ASP A 81 33.903 23.292 -31.814 1.00 1.06 C ATOM 1277 OD1 ASP A 81 32.750 23.666 -31.942 1.00 1.62 O ATOM 1278 OD2 ASP A 81 34.492 22.600 -32.630 1.00 1.49 O ATOM 0 H ASP A 81 33.453 24.391 -28.578 1.00 0.34 H new ATOM 0 HA ASP A 81 33.945 21.773 -29.810 1.00 0.38 H new ATOM 0 HB2 ASP A 81 34.327 24.698 -30.228 1.00 0.47 H new ATOM 0 HB3 ASP A 81 35.726 23.789 -30.763 1.00 0.47 H new ATOM 1283 N ILE A 82 36.017 22.627 -27.579 1.00 0.33 N ATOM 1284 CA ILE A 82 37.304 22.226 -26.933 1.00 0.35 C ATOM 1285 C ILE A 82 37.197 20.780 -26.402 1.00 0.32 C ATOM 1286 O ILE A 82 37.210 19.841 -27.175 1.00 0.35 O ATOM 1287 CB ILE A 82 37.526 23.243 -25.797 1.00 0.38 C ATOM 1288 CG1 ILE A 82 37.487 24.676 -26.356 1.00 0.47 C ATOM 1289 CG2 ILE A 82 38.888 22.996 -25.138 1.00 0.42 C ATOM 1290 CD1 ILE A 82 38.558 24.856 -27.439 1.00 0.55 C ATOM 0 H ILE A 82 35.398 23.192 -26.998 1.00 0.33 H new ATOM 0 HA ILE A 82 38.145 22.235 -27.627 1.00 0.35 H new ATOM 0 HB ILE A 82 36.734 23.122 -25.058 1.00 0.38 H new ATOM 0 HG12 ILE A 82 36.501 24.884 -26.772 1.00 0.47 H new ATOM 0 HG13 ILE A 82 37.651 25.392 -25.551 1.00 0.47 H new ATOM 0 HG21 ILE A 82 39.040 23.718 -24.335 1.00 0.42 H new ATOM 0 HG22 ILE A 82 38.916 21.986 -24.728 1.00 0.42 H new ATOM 0 HG23 ILE A 82 39.677 23.108 -25.881 1.00 0.42 H new ATOM 0 HD11 ILE A 82 38.518 25.875 -27.825 1.00 0.55 H new ATOM 0 HD12 ILE A 82 39.543 24.668 -27.011 1.00 0.55 H new ATOM 0 HD13 ILE A 82 38.375 24.153 -28.252 1.00 0.55 H new ATOM 1302 N VAL A 83 37.093 20.586 -25.103 1.00 0.30 N ATOM 1303 CA VAL A 83 36.989 19.195 -24.561 1.00 0.29 C ATOM 1304 C VAL A 83 35.723 19.047 -23.709 1.00 0.24 C ATOM 1305 O VAL A 83 35.613 19.621 -22.640 1.00 0.25 O ATOM 1306 CB VAL A 83 38.243 18.992 -23.701 1.00 0.37 C ATOM 1307 CG1 VAL A 83 38.227 17.584 -23.095 1.00 0.40 C ATOM 1308 CG2 VAL A 83 39.497 19.150 -24.568 1.00 0.47 C ATOM 0 H VAL A 83 37.076 21.328 -24.403 1.00 0.30 H new ATOM 0 HA VAL A 83 36.924 18.454 -25.358 1.00 0.29 H new ATOM 0 HB VAL A 83 38.254 19.736 -22.905 1.00 0.37 H new ATOM 0 HG11 VAL A 83 39.118 17.441 -22.484 1.00 0.40 H new ATOM 0 HG12 VAL A 83 37.339 17.465 -22.474 1.00 0.40 H new ATOM 0 HG13 VAL A 83 38.212 16.844 -23.895 1.00 0.40 H new ATOM 0 HG21 VAL A 83 40.385 19.005 -23.953 1.00 0.47 H new ATOM 0 HG22 VAL A 83 39.483 18.408 -25.366 1.00 0.47 H new ATOM 0 HG23 VAL A 83 39.516 20.150 -25.002 1.00 0.47 H new ATOM 1318 N ARG A 84 34.777 18.269 -24.174 1.00 0.22 N ATOM 1319 CA ARG A 84 33.518 18.057 -23.393 1.00 0.20 C ATOM 1320 C ARG A 84 33.330 16.559 -23.109 1.00 0.20 C ATOM 1321 O ARG A 84 33.281 15.745 -24.011 1.00 0.28 O ATOM 1322 CB ARG A 84 32.381 18.611 -24.267 1.00 0.21 C ATOM 1323 CG ARG A 84 32.280 17.829 -25.583 1.00 0.22 C ATOM 1324 CD ARG A 84 32.165 18.807 -26.754 1.00 0.32 C ATOM 1325 NE ARG A 84 31.411 18.069 -27.806 1.00 0.45 N ATOM 1326 CZ ARG A 84 30.280 18.546 -28.260 1.00 0.48 C ATOM 1327 NH1 ARG A 84 30.286 19.557 -29.091 1.00 0.63 N ATOM 1328 NH2 ARG A 84 29.148 18.010 -27.885 1.00 0.67 N ATOM 0 H ARG A 84 34.822 17.770 -25.063 1.00 0.22 H new ATOM 0 HA ARG A 84 33.540 18.562 -22.427 1.00 0.20 H new ATOM 0 HB2 ARG A 84 31.436 18.548 -23.727 1.00 0.21 H new ATOM 0 HB3 ARG A 84 32.558 19.666 -24.477 1.00 0.21 H new ATOM 0 HG2 ARG A 84 33.158 17.196 -25.710 1.00 0.22 H new ATOM 0 HG3 ARG A 84 31.412 17.170 -25.560 1.00 0.22 H new ATOM 0 HD2 ARG A 84 31.641 19.716 -26.458 1.00 0.32 H new ATOM 0 HD3 ARG A 84 33.149 19.109 -27.113 1.00 0.32 H new ATOM 0 HE ARG A 84 31.777 17.190 -28.173 1.00 0.45 H new ATOM 0 HH11 ARG A 84 31.171 19.971 -29.384 1.00 0.63 H new ATOM 0 HH12 ARG A 84 29.406 19.930 -29.446 1.00 0.63 H new ATOM 0 HH21 ARG A 84 29.147 17.221 -27.239 1.00 0.67 H new ATOM 0 HH22 ARG A 84 28.266 18.381 -28.238 1.00 0.67 H new ATOM 1342 N MET A 85 33.238 16.191 -21.857 1.00 0.19 N ATOM 1343 CA MET A 85 33.066 14.748 -21.502 1.00 0.21 C ATOM 1344 C MET A 85 32.208 14.613 -20.240 1.00 0.18 C ATOM 1345 O MET A 85 32.096 15.539 -19.465 1.00 0.17 O ATOM 1346 CB MET A 85 34.484 14.233 -21.243 1.00 0.27 C ATOM 1347 CG MET A 85 34.724 12.963 -22.060 1.00 0.63 C ATOM 1348 SD MET A 85 36.503 12.734 -22.302 1.00 1.39 S ATOM 1349 CE MET A 85 36.606 13.482 -23.945 1.00 2.53 C ATOM 0 H MET A 85 33.275 16.829 -21.062 1.00 0.19 H new ATOM 0 HA MET A 85 32.564 14.185 -22.289 1.00 0.21 H new ATOM 0 HB2 MET A 85 35.214 14.996 -21.514 1.00 0.27 H new ATOM 0 HB3 MET A 85 34.619 14.026 -20.181 1.00 0.27 H new ATOM 0 HG2 MET A 85 34.301 12.100 -21.545 1.00 0.63 H new ATOM 0 HG3 MET A 85 34.221 13.037 -23.024 1.00 0.63 H new ATOM 0 HE1 MET A 85 37.637 13.448 -24.296 1.00 2.53 H new ATOM 0 HE2 MET A 85 35.969 12.931 -24.636 1.00 2.53 H new ATOM 0 HE3 MET A 85 36.274 14.519 -23.894 1.00 2.53 H new ATOM 1359 N VAL A 86 31.606 13.467 -20.028 1.00 0.21 N ATOM 1360 CA VAL A 86 30.760 13.280 -18.808 1.00 0.20 C ATOM 1361 C VAL A 86 30.938 11.868 -18.231 1.00 0.25 C ATOM 1362 O VAL A 86 31.280 10.937 -18.936 1.00 0.32 O ATOM 1363 CB VAL A 86 29.317 13.520 -19.274 1.00 0.22 C ATOM 1364 CG1 VAL A 86 28.829 12.350 -20.132 1.00 0.31 C ATOM 1365 CG2 VAL A 86 28.407 13.673 -18.054 1.00 0.27 C ATOM 0 H VAL A 86 31.664 12.656 -20.645 1.00 0.21 H new ATOM 0 HA VAL A 86 31.038 13.967 -18.008 1.00 0.20 H new ATOM 0 HB VAL A 86 29.288 14.430 -19.873 1.00 0.22 H new ATOM 0 HG11 VAL A 86 27.804 12.537 -20.454 1.00 0.31 H new ATOM 0 HG12 VAL A 86 29.471 12.248 -21.007 1.00 0.31 H new ATOM 0 HG13 VAL A 86 28.864 11.431 -19.547 1.00 0.31 H new ATOM 0 HG21 VAL A 86 27.382 13.843 -18.384 1.00 0.27 H new ATOM 0 HG22 VAL A 86 28.449 12.765 -17.453 1.00 0.27 H new ATOM 0 HG23 VAL A 86 28.741 14.520 -17.455 1.00 0.27 H new ATOM 1375 N LEU A 87 30.707 11.716 -16.945 1.00 0.26 N ATOM 1376 CA LEU A 87 30.855 10.381 -16.280 1.00 0.33 C ATOM 1377 C LEU A 87 32.259 9.799 -16.548 1.00 0.45 C ATOM 1378 O LEU A 87 32.365 8.835 -17.291 1.00 0.57 O ATOM 1379 CB LEU A 87 29.741 9.508 -16.885 1.00 0.32 C ATOM 1380 CG LEU A 87 29.075 8.666 -15.788 1.00 0.33 C ATOM 1381 CD1 LEU A 87 30.127 7.816 -15.069 1.00 0.43 C ATOM 1382 CD2 LEU A 87 28.384 9.588 -14.776 1.00 0.34 C ATOM 1383 OXT LEU A 87 33.207 10.335 -15.999 1.00 0.65 O ATOM 0 H LEU A 87 30.419 12.471 -16.322 1.00 0.26 H new ATOM 0 HA LEU A 87 30.761 10.438 -15.196 1.00 0.33 H new ATOM 0 HB2 LEU A 87 28.997 10.139 -17.371 1.00 0.32 H new ATOM 0 HB3 LEU A 87 30.156 8.856 -17.653 1.00 0.32 H new ATOM 0 HG LEU A 87 28.335 8.009 -16.246 1.00 0.33 H new ATOM 0 HD11 LEU A 87 29.646 7.222 -14.292 1.00 0.43 H new ATOM 0 HD12 LEU A 87 30.611 7.153 -15.786 1.00 0.43 H new ATOM 0 HD13 LEU A 87 30.874 8.468 -14.616 1.00 0.43 H new ATOM 0 HD21 LEU A 87 27.912 8.987 -13.999 1.00 0.34 H new ATOM 0 HD22 LEU A 87 29.122 10.251 -14.324 1.00 0.34 H new ATOM 0 HD23 LEU A 87 27.626 10.183 -15.285 1.00 0.34 H new TER 1395 LEU A 87