USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 970 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 NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 159:sc= 0.923 (180deg=0.651) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -178:sc= 1.27 USER MOD Single : A 11 SER OG : rot -146:sc= 1.3 USER MOD Single : A 15 ASN : amide:sc= -0.0104 K(o=-0.01,f=-3.8!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 93:sc= 1.12 USER MOD Single : A 24 ASN : amide:sc= 0.446 K(o=0.45,f=-6.3!) USER MOD Single : A 37 THR OG1 : rot 86:sc= 0.474 USER MOD Single : A 48 THR OG1 : rot -90:sc= -0.0578 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -145:sc= 0.533 (180deg=-1.8!) USER MOD Single : A 57 LYS NZ :NH3+ 147:sc= 0.326 (180deg=-1.17!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -167:sc= -0.0411 (180deg=-0.282) USER MOD Single : A 72 LYS NZ :NH3+ 140:sc= 0.679! (180deg=0.109!) USER MOD Single : A 78 LYS NZ :NH3+ 152:sc= 2.4 (180deg=1.55) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -170:sc= -0.11 (180deg=-0.352) USER MOD Single : A 90 LYS NZ :NH3+ -173:sc= 1.47 (180deg=1.31) USER MOD Single : A 94 LYS NZ :NH3+ 149:sc= 1.22 (180deg=-0.236) USER MOD Single : A 109 LYS NZ :NH3+ -143:sc= 0.685 (180deg=0.268) USER MOD Single : A 112 LYS NZ :NH3+ 160:sc= 1.09 (180deg=-0.426!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.976 6.323 8.459 1.00 9.96 N ATOM 2 CA GLY A 1 20.081 7.702 7.942 1.00 10.04 C ATOM 3 C GLY A 1 18.690 8.072 7.509 1.00 8.93 C ATOM 4 O GLY A 1 17.806 8.059 8.350 1.00 8.73 O ATOM 0 H1 GLY A 1 20.914 5.874 8.445 1.00 9.96 H new ATOM 0 H2 GLY A 1 19.617 6.345 9.435 1.00 9.96 H new ATOM 0 H3 GLY A 1 19.322 5.777 7.862 1.00 9.96 H new ATOM 0 HA2 GLY A 1 20.448 8.383 8.710 1.00 10.04 H new ATOM 0 HA3 GLY A 1 20.780 7.757 7.107 1.00 10.04 H new ATOM 10 N SER A 2 18.453 8.140 6.205 1.00 8.55 N ATOM 11 CA SER A 2 17.231 7.529 5.661 1.00 7.48 C ATOM 12 C SER A 2 17.181 6.018 5.977 1.00 6.35 C ATOM 13 O SER A 2 18.172 5.431 6.435 1.00 6.74 O ATOM 14 CB SER A 2 17.151 7.751 4.141 1.00 8.21 C ATOM 15 OG SER A 2 17.450 9.100 3.820 1.00 9.44 O ATOM 0 H SER A 2 19.060 8.592 5.521 1.00 8.55 H new ATOM 0 HA SER A 2 16.375 8.009 6.135 1.00 7.48 H new ATOM 0 HB2 SER A 2 17.850 7.087 3.633 1.00 8.21 H new ATOM 0 HB3 SER A 2 16.153 7.498 3.783 1.00 8.21 H new ATOM 0 HG SER A 2 17.397 9.225 2.849 1.00 9.44 H new ATOM 21 N PHE A 3 16.014 5.421 5.707 1.00 5.45 N ATOM 22 CA PHE A 3 15.618 4.019 5.866 1.00 4.73 C ATOM 23 C PHE A 3 14.170 3.875 5.344 1.00 3.83 C ATOM 24 O PHE A 3 13.664 4.804 4.706 1.00 4.10 O ATOM 25 CB PHE A 3 15.825 3.524 7.317 1.00 5.30 C ATOM 26 CG PHE A 3 15.138 4.336 8.404 1.00 5.69 C ATOM 27 CD1 PHE A 3 13.823 4.029 8.805 1.00 5.91 C ATOM 28 CD2 PHE A 3 15.828 5.384 9.044 1.00 6.84 C ATOM 29 CE1 PHE A 3 13.212 4.768 9.831 1.00 7.04 C ATOM 30 CE2 PHE A 3 15.210 6.135 10.056 1.00 7.84 C ATOM 31 CZ PHE A 3 13.897 5.823 10.452 1.00 7.85 C ATOM 0 H PHE A 3 15.241 5.970 5.331 1.00 5.45 H new ATOM 0 HA PHE A 3 16.259 3.365 5.274 1.00 4.73 H new ATOM 0 HB2 PHE A 3 15.472 2.495 7.382 1.00 5.30 H new ATOM 0 HB3 PHE A 3 16.895 3.508 7.525 1.00 5.30 H new ATOM 0 HD1 PHE A 3 13.285 3.226 8.324 1.00 5.91 H new ATOM 0 HD2 PHE A 3 16.843 5.612 8.753 1.00 6.84 H new ATOM 0 HE1 PHE A 3 12.208 4.522 10.144 1.00 7.04 H new ATOM 0 HE2 PHE A 3 15.740 6.949 10.528 1.00 7.84 H new ATOM 0 HZ PHE A 3 13.417 6.395 11.233 1.00 7.85 H new ATOM 41 N THR A 4 13.518 2.740 5.610 1.00 3.25 N ATOM 42 CA THR A 4 12.131 2.469 5.224 1.00 2.75 C ATOM 43 C THR A 4 11.472 1.524 6.215 1.00 2.07 C ATOM 44 O THR A 4 12.141 0.900 7.039 1.00 3.08 O ATOM 45 CB THR A 4 12.063 1.979 3.776 1.00 3.59 C ATOM 46 OG1 THR A 4 10.748 2.109 3.298 1.00 4.43 O ATOM 47 CG2 THR A 4 12.525 0.531 3.585 1.00 4.44 C ATOM 0 H THR A 4 13.951 1.965 6.112 1.00 3.25 H new ATOM 0 HA THR A 4 11.558 3.395 5.262 1.00 2.75 H new ATOM 0 HB THR A 4 12.755 2.604 3.211 1.00 3.59 H new ATOM 0 HG1 THR A 4 10.697 1.762 2.383 1.00 4.43 H new ATOM 0 HG21 THR A 4 12.447 0.260 2.532 1.00 4.44 H new ATOM 0 HG22 THR A 4 13.561 0.434 3.908 1.00 4.44 H new ATOM 0 HG23 THR A 4 11.896 -0.133 4.178 1.00 4.44 H new ATOM 55 N GLU A 5 10.145 1.508 6.170 1.00 1.24 N ATOM 56 CA GLU A 5 9.278 1.098 7.274 1.00 1.12 C ATOM 57 C GLU A 5 7.869 0.706 6.772 1.00 1.10 C ATOM 58 O GLU A 5 7.110 1.546 6.292 1.00 1.54 O ATOM 59 CB GLU A 5 9.268 2.229 8.329 1.00 2.00 C ATOM 60 CG GLU A 5 8.915 3.626 7.772 1.00 3.12 C ATOM 61 CD GLU A 5 9.947 4.704 8.086 1.00 3.84 C ATOM 62 OE1 GLU A 5 9.958 5.198 9.233 1.00 4.46 O ATOM 63 OE2 GLU A 5 10.669 5.152 7.163 1.00 4.64 O ATOM 0 H GLU A 5 9.624 1.788 5.339 1.00 1.24 H new ATOM 0 HA GLU A 5 9.665 0.195 7.747 1.00 1.12 H new ATOM 0 HB2 GLU A 5 8.553 1.973 9.110 1.00 2.00 H new ATOM 0 HB3 GLU A 5 10.250 2.278 8.800 1.00 2.00 H new ATOM 0 HG2 GLU A 5 8.798 3.555 6.691 1.00 3.12 H new ATOM 0 HG3 GLU A 5 7.951 3.933 8.177 1.00 3.12 H new ATOM 70 N GLY A 6 7.499 -0.581 6.848 1.00 1.22 N ATOM 71 CA GLY A 6 6.210 -1.073 6.330 1.00 1.31 C ATOM 72 C GLY A 6 5.704 -2.373 6.948 1.00 1.19 C ATOM 73 O GLY A 6 6.498 -3.180 7.418 1.00 1.37 O ATOM 0 H GLY A 6 8.079 -1.307 7.267 1.00 1.22 H new ATOM 0 HA2 GLY A 6 5.457 -0.300 6.486 1.00 1.31 H new ATOM 0 HA3 GLY A 6 6.302 -1.215 5.253 1.00 1.31 H new ATOM 77 N TRP A 7 4.389 -2.614 6.899 1.00 1.08 N ATOM 78 CA TRP A 7 3.751 -3.836 7.405 1.00 0.99 C ATOM 79 C TRP A 7 2.395 -4.139 6.734 1.00 0.79 C ATOM 80 O TRP A 7 1.846 -3.312 6.004 1.00 0.75 O ATOM 81 CB TRP A 7 3.619 -3.738 8.933 1.00 1.19 C ATOM 82 CG TRP A 7 2.529 -2.863 9.476 1.00 1.21 C ATOM 83 CD1 TRP A 7 1.349 -3.303 9.965 1.00 1.41 C ATOM 84 CD2 TRP A 7 2.514 -1.412 9.656 1.00 1.39 C ATOM 85 NE1 TRP A 7 0.607 -2.237 10.434 1.00 1.56 N ATOM 86 CE2 TRP A 7 1.276 -1.044 10.266 1.00 1.57 C ATOM 87 CE3 TRP A 7 3.429 -0.371 9.385 1.00 1.69 C ATOM 88 CZ2 TRP A 7 0.963 0.286 10.587 1.00 1.92 C ATOM 89 CZ3 TRP A 7 3.123 0.967 9.695 1.00 2.10 C ATOM 90 CH2 TRP A 7 1.894 1.297 10.296 1.00 2.18 C ATOM 0 H TRP A 7 3.724 -1.952 6.498 1.00 1.08 H new ATOM 0 HA TRP A 7 4.391 -4.680 7.146 1.00 0.99 H new ATOM 0 HB2 TRP A 7 3.469 -4.745 9.324 1.00 1.19 H new ATOM 0 HB3 TRP A 7 4.568 -3.380 9.331 1.00 1.19 H new ATOM 0 HD1 TRP A 7 1.033 -4.335 9.986 1.00 1.41 H new ATOM 0 HE1 TRP A 7 -0.319 -2.322 10.852 1.00 1.56 H new ATOM 0 HE3 TRP A 7 4.381 -0.606 8.932 1.00 1.69 H new ATOM 0 HZ2 TRP A 7 0.019 0.529 11.052 1.00 1.92 H new ATOM 0 HZ3 TRP A 7 3.836 1.746 9.470 1.00 2.10 H new ATOM 0 HH2 TRP A 7 1.667 2.326 10.533 1.00 2.18 H new ATOM 101 N VAL A 8 1.840 -5.329 7.001 1.00 0.84 N ATOM 102 CA VAL A 8 0.451 -5.702 6.634 1.00 0.91 C ATOM 103 C VAL A 8 -0.339 -5.893 7.932 1.00 1.07 C ATOM 104 O VAL A 8 0.163 -6.534 8.859 1.00 1.35 O ATOM 105 CB VAL A 8 0.367 -6.972 5.748 1.00 1.05 C ATOM 106 CG1 VAL A 8 -1.022 -7.059 5.092 1.00 1.31 C ATOM 107 CG2 VAL A 8 1.416 -6.996 4.624 1.00 1.11 C ATOM 0 H VAL A 8 2.342 -6.074 7.483 1.00 0.84 H new ATOM 0 HA VAL A 8 0.028 -4.901 6.028 1.00 0.91 H new ATOM 0 HB VAL A 8 0.555 -7.817 6.411 1.00 1.05 H new ATOM 0 HG11 VAL A 8 -1.076 -7.953 4.471 1.00 1.31 H new ATOM 0 HG12 VAL A 8 -1.788 -7.109 5.866 1.00 1.31 H new ATOM 0 HG13 VAL A 8 -1.188 -6.177 4.474 1.00 1.31 H new ATOM 0 HG21 VAL A 8 1.304 -7.910 4.041 1.00 1.11 H new ATOM 0 HG22 VAL A 8 1.274 -6.132 3.975 1.00 1.11 H new ATOM 0 HG23 VAL A 8 2.415 -6.963 5.058 1.00 1.11 H new ATOM 117 N ARG A 9 -1.528 -5.280 8.041 1.00 1.26 N ATOM 118 CA ARG A 9 -2.115 -5.001 9.364 1.00 1.70 C ATOM 119 C ARG A 9 -2.790 -6.195 10.062 1.00 1.83 C ATOM 120 O ARG A 9 -2.785 -6.185 11.288 1.00 3.02 O ATOM 121 CB ARG A 9 -3.017 -3.755 9.330 1.00 2.44 C ATOM 122 CG ARG A 9 -4.475 -4.011 8.905 1.00 1.67 C ATOM 123 CD ARG A 9 -5.306 -2.722 8.856 1.00 2.48 C ATOM 124 NE ARG A 9 -5.304 -1.995 10.133 1.00 3.15 N ATOM 125 CZ ARG A 9 -5.312 -0.681 10.324 1.00 4.40 C ATOM 126 NH1 ARG A 9 -5.310 0.162 9.308 1.00 5.40 N ATOM 127 NH2 ARG A 9 -5.302 -0.207 11.549 1.00 5.19 N ATOM 0 H ARG A 9 -2.093 -4.973 7.249 1.00 1.26 H new ATOM 0 HA ARG A 9 -1.257 -4.788 10.002 1.00 1.70 H new ATOM 0 HB2 ARG A 9 -3.019 -3.301 10.321 1.00 2.44 H new ATOM 0 HB3 ARG A 9 -2.579 -3.028 8.647 1.00 2.44 H new ATOM 0 HG2 ARG A 9 -4.486 -4.485 7.923 1.00 1.67 H new ATOM 0 HG3 ARG A 9 -4.936 -4.711 9.602 1.00 1.67 H new ATOM 0 HD2 ARG A 9 -4.915 -2.073 8.073 1.00 2.48 H new ATOM 0 HD3 ARG A 9 -6.333 -2.967 8.584 1.00 2.48 H new ATOM 0 HE ARG A 9 -5.295 -2.570 10.976 1.00 3.15 H new ATOM 0 HH11 ARG A 9 -5.302 -0.192 8.351 1.00 5.40 H new ATOM 0 HH12 ARG A 9 -5.316 1.167 9.480 1.00 5.40 H new ATOM 0 HH21 ARG A 9 -5.288 -0.847 12.343 1.00 5.19 H new ATOM 0 HH22 ARG A 9 -5.308 0.801 11.706 1.00 5.19 H new ATOM 141 N PHE A 10 -3.347 -7.156 9.294 1.00 1.12 N ATOM 142 CA PHE A 10 -3.956 -8.445 9.662 1.00 1.02 C ATOM 143 C PHE A 10 -5.111 -8.767 8.699 1.00 0.87 C ATOM 144 O PHE A 10 -5.925 -7.890 8.413 1.00 0.96 O ATOM 145 CB PHE A 10 -4.450 -8.490 11.117 1.00 1.18 C ATOM 146 CG PHE A 10 -5.129 -9.781 11.497 1.00 1.18 C ATOM 147 CD1 PHE A 10 -6.492 -9.967 11.215 1.00 2.09 C ATOM 148 CD2 PHE A 10 -4.385 -10.802 12.109 1.00 1.86 C ATOM 149 CE1 PHE A 10 -7.115 -11.184 11.545 1.00 2.25 C ATOM 150 CE2 PHE A 10 -5.006 -12.015 12.445 1.00 1.84 C ATOM 151 CZ PHE A 10 -6.372 -12.207 12.162 1.00 1.40 C ATOM 0 H PHE A 10 -3.383 -7.028 8.283 1.00 1.12 H new ATOM 0 HA PHE A 10 -3.175 -9.200 9.579 1.00 1.02 H new ATOM 0 HB2 PHE A 10 -3.602 -8.328 11.782 1.00 1.18 H new ATOM 0 HB3 PHE A 10 -5.144 -7.665 11.279 1.00 1.18 H new ATOM 0 HD1 PHE A 10 -7.060 -9.178 10.746 1.00 2.09 H new ATOM 0 HD2 PHE A 10 -3.336 -10.654 12.321 1.00 1.86 H new ATOM 0 HE1 PHE A 10 -8.162 -11.333 11.325 1.00 2.25 H new ATOM 0 HE2 PHE A 10 -4.437 -12.800 12.920 1.00 1.84 H new ATOM 0 HZ PHE A 10 -6.850 -13.141 12.419 1.00 1.40 H new ATOM 161 N SER A 11 -5.219 -10.019 8.245 1.00 0.84 N ATOM 162 CA SER A 11 -6.380 -10.608 7.555 1.00 0.86 C ATOM 163 C SER A 11 -6.106 -12.080 7.180 1.00 0.86 C ATOM 164 O SER A 11 -5.056 -12.353 6.596 1.00 1.00 O ATOM 165 CB SER A 11 -6.769 -9.856 6.270 1.00 1.11 C ATOM 166 OG SER A 11 -7.920 -10.466 5.711 1.00 1.85 O ATOM 0 H SER A 11 -4.458 -10.690 8.353 1.00 0.84 H new ATOM 0 HA SER A 11 -7.206 -10.532 8.262 1.00 0.86 H new ATOM 0 HB2 SER A 11 -6.969 -8.808 6.493 1.00 1.11 H new ATOM 0 HB3 SER A 11 -5.946 -9.879 5.556 1.00 1.11 H new ATOM 0 HG SER A 11 -7.880 -10.407 4.734 1.00 1.85 H new ATOM 172 N PRO A 12 -7.037 -13.022 7.428 1.00 0.93 N ATOM 173 CA PRO A 12 -6.919 -14.393 6.928 1.00 1.05 C ATOM 174 C PRO A 12 -7.181 -14.492 5.417 1.00 0.96 C ATOM 175 O PRO A 12 -6.705 -15.412 4.761 1.00 1.08 O ATOM 176 CB PRO A 12 -7.985 -15.170 7.699 1.00 1.24 C ATOM 177 CG PRO A 12 -9.084 -14.137 7.948 1.00 1.20 C ATOM 178 CD PRO A 12 -8.290 -12.847 8.151 1.00 1.06 C ATOM 0 HA PRO A 12 -5.910 -14.779 7.074 1.00 1.05 H new ATOM 0 HB2 PRO A 12 -8.356 -16.018 7.123 1.00 1.24 H new ATOM 0 HB3 PRO A 12 -7.591 -15.568 8.634 1.00 1.24 H new ATOM 0 HG2 PRO A 12 -9.769 -14.063 7.103 1.00 1.20 H new ATOM 0 HG3 PRO A 12 -9.683 -14.386 8.824 1.00 1.20 H new ATOM 0 HD2 PRO A 12 -8.841 -11.987 7.771 1.00 1.06 H new ATOM 0 HD3 PRO A 12 -8.106 -12.666 9.210 1.00 1.06 H new ATOM 186 N GLY A 13 -7.954 -13.549 4.877 1.00 0.89 N ATOM 187 CA GLY A 13 -8.418 -13.513 3.491 1.00 0.93 C ATOM 188 C GLY A 13 -9.947 -13.404 3.392 1.00 0.78 C ATOM 189 O GLY A 13 -10.619 -13.276 4.418 1.00 0.80 O ATOM 0 H GLY A 13 -8.289 -12.753 5.420 1.00 0.89 H new ATOM 0 HA2 GLY A 13 -7.961 -12.666 2.979 1.00 0.93 H new ATOM 0 HA3 GLY A 13 -8.086 -14.414 2.975 1.00 0.93 H new ATOM 193 N PRO A 14 -10.514 -13.424 2.170 1.00 0.77 N ATOM 194 CA PRO A 14 -9.831 -13.611 0.888 1.00 0.79 C ATOM 195 C PRO A 14 -9.025 -12.381 0.439 1.00 0.70 C ATOM 196 O PRO A 14 -8.233 -12.486 -0.496 1.00 0.79 O ATOM 197 CB PRO A 14 -10.953 -13.922 -0.107 1.00 0.90 C ATOM 198 CG PRO A 14 -12.142 -13.135 0.450 1.00 0.90 C ATOM 199 CD PRO A 14 -11.949 -13.270 1.960 1.00 0.84 C ATOM 0 HA PRO A 14 -9.090 -14.407 0.961 1.00 0.79 H new ATOM 0 HB2 PRO A 14 -10.696 -13.602 -1.117 1.00 0.90 H new ATOM 0 HB3 PRO A 14 -11.164 -14.990 -0.155 1.00 0.90 H new ATOM 0 HG2 PRO A 14 -12.125 -12.093 0.130 1.00 0.90 H new ATOM 0 HG3 PRO A 14 -13.094 -13.553 0.124 1.00 0.90 H new ATOM 0 HD2 PRO A 14 -12.327 -12.391 2.482 1.00 0.84 H new ATOM 0 HD3 PRO A 14 -12.495 -14.130 2.348 1.00 0.84 H new ATOM 207 N ASN A 15 -9.204 -11.232 1.096 1.00 0.63 N ATOM 208 CA ASN A 15 -8.528 -9.968 0.835 1.00 0.59 C ATOM 209 C ASN A 15 -7.888 -9.359 2.098 1.00 0.52 C ATOM 210 O ASN A 15 -8.283 -9.605 3.239 1.00 0.67 O ATOM 211 CB ASN A 15 -9.512 -8.982 0.177 1.00 0.76 C ATOM 212 CG ASN A 15 -10.752 -8.645 1.006 1.00 1.12 C ATOM 213 OD1 ASN A 15 -11.187 -9.385 1.874 1.00 1.81 O ATOM 214 ND2 ASN A 15 -11.375 -7.511 0.745 1.00 1.65 N ATOM 0 H ASN A 15 -9.865 -11.160 1.869 1.00 0.63 H new ATOM 0 HA ASN A 15 -7.704 -10.169 0.150 1.00 0.59 H new ATOM 0 HB2 ASN A 15 -8.980 -8.056 -0.044 1.00 0.76 H new ATOM 0 HB3 ASN A 15 -9.835 -9.399 -0.777 1.00 0.76 H new ATOM 0 HD21 ASN A 15 -12.214 -7.258 1.267 1.00 1.65 H new ATOM 0 HD22 ASN A 15 -11.017 -6.888 0.021 1.00 1.65 H new ATOM 221 N ALA A 16 -6.876 -8.531 1.859 1.00 0.43 N ATOM 222 CA ALA A 16 -6.073 -7.800 2.854 1.00 0.38 C ATOM 223 C ALA A 16 -5.800 -6.356 2.386 1.00 0.37 C ATOM 224 O ALA A 16 -6.114 -5.984 1.256 1.00 0.38 O ATOM 225 CB ALA A 16 -4.772 -8.579 3.106 1.00 0.41 C ATOM 0 H ALA A 16 -6.569 -8.335 0.906 1.00 0.43 H new ATOM 0 HA ALA A 16 -6.623 -7.723 3.792 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -4.167 -8.049 3.841 1.00 0.41 H new ATOM 0 HB2 ALA A 16 -5.011 -9.574 3.482 1.00 0.41 H new ATOM 0 HB3 ALA A 16 -4.215 -8.668 2.174 1.00 0.41 H new ATOM 231 N ALA A 17 -5.198 -5.545 3.256 1.00 0.49 N ATOM 232 CA ALA A 17 -4.710 -4.201 2.952 1.00 0.53 C ATOM 233 C ALA A 17 -3.272 -4.072 3.495 1.00 0.58 C ATOM 234 O ALA A 17 -3.045 -4.336 4.678 1.00 1.01 O ATOM 235 CB ALA A 17 -5.654 -3.180 3.609 1.00 0.61 C ATOM 0 H ALA A 17 -5.031 -5.816 4.225 1.00 0.49 H new ATOM 0 HA ALA A 17 -4.693 -4.014 1.878 1.00 0.53 H new ATOM 0 HB1 ALA A 17 -5.305 -2.170 3.393 1.00 0.61 H new ATOM 0 HB2 ALA A 17 -6.661 -3.309 3.213 1.00 0.61 H new ATOM 0 HB3 ALA A 17 -5.665 -3.337 4.688 1.00 0.61 H new ATOM 241 N ALA A 18 -2.307 -3.698 2.648 1.00 0.45 N ATOM 242 CA ALA A 18 -0.916 -3.475 3.002 1.00 0.49 C ATOM 243 C ALA A 18 -0.611 -1.972 3.090 1.00 0.49 C ATOM 244 O ALA A 18 -1.218 -1.134 2.417 1.00 0.62 O ATOM 245 CB ALA A 18 -0.023 -4.198 1.984 1.00 0.52 C ATOM 0 H ALA A 18 -2.490 -3.538 1.657 1.00 0.45 H new ATOM 0 HA ALA A 18 -0.710 -3.887 3.990 1.00 0.49 H new ATOM 0 HB1 ALA A 18 1.024 -4.037 2.240 1.00 0.52 H new ATOM 0 HB2 ALA A 18 -0.241 -5.266 2.002 1.00 0.52 H new ATOM 0 HB3 ALA A 18 -0.217 -3.805 0.986 1.00 0.52 H new ATOM 251 N TYR A 19 0.360 -1.666 3.940 1.00 0.59 N ATOM 252 CA TYR A 19 0.667 -0.322 4.436 1.00 0.68 C ATOM 253 C TYR A 19 2.187 -0.137 4.549 1.00 0.78 C ATOM 254 O TYR A 19 2.755 -0.098 5.641 1.00 1.19 O ATOM 255 CB TYR A 19 -0.031 -0.112 5.791 1.00 0.85 C ATOM 256 CG TYR A 19 -1.548 -0.163 5.764 1.00 0.83 C ATOM 257 CD1 TYR A 19 -2.225 -1.383 5.939 1.00 2.13 C ATOM 258 CD2 TYR A 19 -2.288 1.019 5.598 1.00 1.62 C ATOM 259 CE1 TYR A 19 -3.631 -1.417 5.952 1.00 2.15 C ATOM 260 CE2 TYR A 19 -3.693 1.008 5.670 1.00 1.83 C ATOM 261 CZ TYR A 19 -4.371 -0.218 5.845 1.00 1.20 C ATOM 262 OH TYR A 19 -5.730 -0.250 5.920 1.00 1.47 O ATOM 0 H TYR A 19 0.985 -2.376 4.322 1.00 0.59 H new ATOM 0 HA TYR A 19 0.296 0.428 3.737 1.00 0.68 H new ATOM 0 HB2 TYR A 19 0.328 -0.872 6.485 1.00 0.85 H new ATOM 0 HB3 TYR A 19 0.275 0.855 6.191 1.00 0.85 H new ATOM 0 HD1 TYR A 19 -1.663 -2.297 6.064 1.00 2.13 H new ATOM 0 HD2 TYR A 19 -1.771 1.949 5.413 1.00 1.62 H new ATOM 0 HE1 TYR A 19 -4.146 -2.362 6.044 1.00 2.15 H new ATOM 0 HE2 TYR A 19 -4.249 1.931 5.592 1.00 1.83 H new ATOM 0 HH TYR A 19 -6.084 0.659 5.829 1.00 1.47 H new ATOM 272 N LEU A 20 2.873 -0.055 3.405 1.00 1.00 N ATOM 273 CA LEU A 20 4.310 0.225 3.348 1.00 0.98 C ATOM 274 C LEU A 20 4.623 1.720 3.244 1.00 0.88 C ATOM 275 O LEU A 20 3.792 2.527 2.813 1.00 0.86 O ATOM 276 CB LEU A 20 5.006 -0.571 2.227 1.00 1.10 C ATOM 277 CG LEU A 20 4.702 -0.127 0.779 1.00 1.01 C ATOM 278 CD1 LEU A 20 5.663 -0.849 -0.175 1.00 1.94 C ATOM 279 CD2 LEU A 20 3.262 -0.435 0.353 1.00 1.56 C ATOM 0 H LEU A 20 2.444 -0.182 2.488 1.00 1.00 H new ATOM 0 HA LEU A 20 4.719 -0.113 4.300 1.00 0.98 H new ATOM 0 HB2 LEU A 20 6.083 -0.511 2.384 1.00 1.10 H new ATOM 0 HB3 LEU A 20 4.727 -1.620 2.329 1.00 1.10 H new ATOM 0 HG LEU A 20 4.833 0.954 0.736 1.00 1.01 H new ATOM 0 HD11 LEU A 20 5.457 -0.542 -1.200 1.00 1.94 H new ATOM 0 HD12 LEU A 20 6.691 -0.592 0.081 1.00 1.94 H new ATOM 0 HD13 LEU A 20 5.525 -1.926 -0.084 1.00 1.94 H new ATOM 0 HD21 LEU A 20 3.107 -0.101 -0.673 1.00 1.56 H new ATOM 0 HD22 LEU A 20 3.086 -1.509 0.416 1.00 1.56 H new ATOM 0 HD23 LEU A 20 2.568 0.085 1.013 1.00 1.56 H new ATOM 291 N THR A 21 5.863 2.062 3.581 1.00 0.99 N ATOM 292 CA THR A 21 6.464 3.325 3.175 1.00 0.96 C ATOM 293 C THR A 21 6.947 3.232 1.735 1.00 1.23 C ATOM 294 O THR A 21 7.151 2.141 1.203 1.00 1.70 O ATOM 295 CB THR A 21 7.543 3.706 4.178 1.00 1.04 C ATOM 296 OG1 THR A 21 6.812 4.014 5.339 1.00 1.38 O ATOM 297 CG2 THR A 21 8.400 4.912 3.823 1.00 1.43 C ATOM 0 H THR A 21 6.477 1.472 4.142 1.00 0.99 H new ATOM 0 HA THR A 21 5.732 4.133 3.185 1.00 0.96 H new ATOM 0 HB THR A 21 8.259 2.887 4.250 1.00 1.04 H new ATOM 0 HG1 THR A 21 6.747 3.217 5.906 1.00 1.38 H new ATOM 0 HG21 THR A 21 9.131 5.084 4.613 1.00 1.43 H new ATOM 0 HG22 THR A 21 8.919 4.726 2.883 1.00 1.43 H new ATOM 0 HG23 THR A 21 7.765 5.792 3.719 1.00 1.43 H new ATOM 305 N LEU A 22 7.080 4.394 1.101 1.00 1.20 N ATOM 306 CA LEU A 22 7.609 4.535 -0.249 1.00 1.57 C ATOM 307 C LEU A 22 8.802 5.490 -0.250 1.00 1.28 C ATOM 308 O LEU A 22 8.759 6.556 0.374 1.00 1.12 O ATOM 309 CB LEU A 22 6.477 5.033 -1.170 1.00 2.08 C ATOM 310 CG LEU A 22 6.330 4.255 -2.486 1.00 2.80 C ATOM 311 CD1 LEU A 22 7.627 4.182 -3.300 1.00 2.99 C ATOM 312 CD2 LEU A 22 5.782 2.843 -2.221 1.00 3.43 C ATOM 0 H LEU A 22 6.816 5.284 1.524 1.00 1.20 H new ATOM 0 HA LEU A 22 7.966 3.574 -0.620 1.00 1.57 H new ATOM 0 HB2 LEU A 22 5.534 4.980 -0.625 1.00 2.08 H new ATOM 0 HB3 LEU A 22 6.652 6.083 -1.403 1.00 2.08 H new ATOM 0 HG LEU A 22 5.617 4.814 -3.092 1.00 2.80 H new ATOM 0 HD11 LEU A 22 7.450 3.618 -4.216 1.00 2.99 H new ATOM 0 HD12 LEU A 22 7.956 5.190 -3.552 1.00 2.99 H new ATOM 0 HD13 LEU A 22 8.398 3.685 -2.712 1.00 2.99 H new ATOM 0 HD21 LEU A 22 5.685 2.307 -3.165 1.00 3.43 H new ATOM 0 HD22 LEU A 22 6.467 2.304 -1.567 1.00 3.43 H new ATOM 0 HD23 LEU A 22 4.805 2.916 -1.743 1.00 3.43 H new ATOM 324 N GLU A 23 9.856 5.121 -0.968 1.00 1.47 N ATOM 325 CA GLU A 23 11.135 5.820 -0.984 1.00 1.44 C ATOM 326 C GLU A 23 11.589 6.117 -2.417 1.00 1.35 C ATOM 327 O GLU A 23 11.598 5.243 -3.283 1.00 1.59 O ATOM 328 CB GLU A 23 12.183 4.993 -0.212 1.00 2.12 C ATOM 329 CG GLU A 23 12.406 3.568 -0.761 1.00 3.88 C ATOM 330 CD GLU A 23 12.375 2.525 0.351 1.00 4.99 C ATOM 331 OE1 GLU A 23 11.248 2.132 0.738 1.00 5.96 O ATOM 332 OE2 GLU A 23 13.473 2.175 0.839 1.00 5.40 O ATOM 0 H GLU A 23 9.843 4.301 -1.574 1.00 1.47 H new ATOM 0 HA GLU A 23 11.020 6.783 -0.487 1.00 1.44 H new ATOM 0 HB2 GLU A 23 13.133 5.528 -0.228 1.00 2.12 H new ATOM 0 HB3 GLU A 23 11.875 4.923 0.831 1.00 2.12 H new ATOM 0 HG2 GLU A 23 11.637 3.337 -1.498 1.00 3.88 H new ATOM 0 HG3 GLU A 23 13.365 3.522 -1.276 1.00 3.88 H new ATOM 339 N ASN A 24 11.987 7.361 -2.670 1.00 1.14 N ATOM 340 CA ASN A 24 12.646 7.748 -3.912 1.00 1.03 C ATOM 341 C ASN A 24 14.142 8.006 -3.639 1.00 1.19 C ATOM 342 O ASN A 24 14.474 8.976 -2.952 1.00 1.38 O ATOM 343 CB ASN A 24 11.949 8.991 -4.471 1.00 0.87 C ATOM 344 CG ASN A 24 12.380 9.286 -5.899 1.00 0.84 C ATOM 345 OD1 ASN A 24 13.388 8.787 -6.381 1.00 1.46 O ATOM 346 ND2 ASN A 24 11.625 10.093 -6.618 1.00 0.87 N ATOM 0 H ASN A 24 11.860 8.132 -2.015 1.00 1.14 H new ATOM 0 HA ASN A 24 12.576 6.951 -4.653 1.00 1.03 H new ATOM 0 HB2 ASN A 24 10.869 8.847 -4.440 1.00 0.87 H new ATOM 0 HB3 ASN A 24 12.175 9.850 -3.839 1.00 0.87 H new ATOM 0 HD21 ASN A 24 11.880 10.305 -7.583 1.00 0.87 H new ATOM 0 HD22 ASN A 24 10.786 10.505 -6.210 1.00 0.87 H new ATOM 353 N PRO A 25 15.052 7.156 -4.145 1.00 1.37 N ATOM 354 CA PRO A 25 16.496 7.381 -4.060 1.00 1.55 C ATOM 355 C PRO A 25 17.055 8.234 -5.212 1.00 1.46 C ATOM 356 O PRO A 25 18.209 8.665 -5.147 1.00 1.62 O ATOM 357 CB PRO A 25 17.088 5.968 -4.097 1.00 1.85 C ATOM 358 CG PRO A 25 16.113 5.218 -5.009 1.00 1.80 C ATOM 359 CD PRO A 25 14.765 5.817 -4.639 1.00 1.58 C ATOM 0 HA PRO A 25 16.752 7.944 -3.162 1.00 1.55 H new ATOM 0 HB2 PRO A 25 18.102 5.964 -4.498 1.00 1.85 H new ATOM 0 HB3 PRO A 25 17.136 5.523 -3.103 1.00 1.85 H new ATOM 0 HG2 PRO A 25 16.347 5.372 -6.062 1.00 1.80 H new ATOM 0 HG3 PRO A 25 16.139 4.143 -4.830 1.00 1.80 H new ATOM 0 HD2 PRO A 25 14.102 5.852 -5.503 1.00 1.58 H new ATOM 0 HD3 PRO A 25 14.266 5.217 -3.878 1.00 1.58 H new ATOM 367 N GLY A 26 16.268 8.475 -6.267 1.00 1.26 N ATOM 368 CA GLY A 26 16.682 9.174 -7.475 1.00 1.23 C ATOM 369 C GLY A 26 16.504 10.681 -7.378 1.00 0.99 C ATOM 370 O GLY A 26 16.091 11.236 -6.363 1.00 1.20 O ATOM 0 H GLY A 26 15.293 8.176 -6.298 1.00 1.26 H new ATOM 0 HA2 GLY A 26 17.729 8.949 -7.678 1.00 1.23 H new ATOM 0 HA3 GLY A 26 16.106 8.799 -8.321 1.00 1.23 H new ATOM 374 N ASP A 27 16.874 11.333 -8.473 1.00 1.01 N ATOM 375 CA ASP A 27 17.002 12.774 -8.660 1.00 1.28 C ATOM 376 C ASP A 27 15.829 13.348 -9.474 1.00 1.23 C ATOM 377 O ASP A 27 15.676 14.558 -9.627 1.00 1.50 O ATOM 378 CB ASP A 27 18.331 12.949 -9.399 1.00 1.73 C ATOM 379 CG ASP A 27 19.504 12.469 -8.538 1.00 2.24 C ATOM 380 OD1 ASP A 27 20.030 13.268 -7.737 1.00 2.56 O ATOM 381 OD2 ASP A 27 19.779 11.245 -8.528 1.00 3.37 O ATOM 0 H ASP A 27 17.112 10.825 -9.325 1.00 1.01 H new ATOM 0 HA ASP A 27 16.982 13.311 -7.712 1.00 1.28 H new ATOM 0 HB2 ASP A 27 18.308 12.389 -10.334 1.00 1.73 H new ATOM 0 HB3 ASP A 27 18.471 13.998 -9.659 1.00 1.73 H new ATOM 386 N LEU A 28 14.975 12.443 -9.957 1.00 0.98 N ATOM 387 CA LEU A 28 13.737 12.683 -10.685 1.00 0.94 C ATOM 388 C LEU A 28 12.558 12.048 -9.927 1.00 0.84 C ATOM 389 O LEU A 28 12.784 11.163 -9.093 1.00 0.82 O ATOM 390 CB LEU A 28 13.938 12.174 -12.125 1.00 1.09 C ATOM 391 CG LEU A 28 14.199 10.661 -12.311 1.00 1.97 C ATOM 392 CD1 LEU A 28 12.919 9.813 -12.301 1.00 2.93 C ATOM 393 CD2 LEU A 28 14.902 10.431 -13.658 1.00 2.61 C ATOM 0 H LEU A 28 15.150 11.445 -9.837 1.00 0.98 H new ATOM 0 HA LEU A 28 13.487 13.742 -10.752 1.00 0.94 H new ATOM 0 HB2 LEU A 28 13.052 12.437 -12.703 1.00 1.09 H new ATOM 0 HB3 LEU A 28 14.776 12.717 -12.561 1.00 1.09 H new ATOM 0 HG LEU A 28 14.813 10.350 -11.466 1.00 1.97 H new ATOM 0 HD11 LEU A 28 13.177 8.763 -12.436 1.00 2.93 H new ATOM 0 HD12 LEU A 28 12.405 9.941 -11.348 1.00 2.93 H new ATOM 0 HD13 LEU A 28 12.264 10.133 -13.112 1.00 2.93 H new ATOM 0 HD21 LEU A 28 15.088 9.366 -13.794 1.00 2.61 H new ATOM 0 HD22 LEU A 28 14.267 10.794 -14.466 1.00 2.61 H new ATOM 0 HD23 LEU A 28 15.850 10.970 -13.670 1.00 2.61 H new ATOM 405 N PRO A 29 11.307 12.476 -10.170 1.00 0.87 N ATOM 406 CA PRO A 29 10.164 11.990 -9.416 1.00 0.80 C ATOM 407 C PRO A 29 9.780 10.580 -9.875 1.00 0.73 C ATOM 408 O PRO A 29 9.744 10.280 -11.069 1.00 0.96 O ATOM 409 CB PRO A 29 9.052 13.012 -9.638 1.00 0.93 C ATOM 410 CG PRO A 29 9.371 13.585 -11.021 1.00 1.06 C ATOM 411 CD PRO A 29 10.896 13.487 -11.133 1.00 1.04 C ATOM 0 HA PRO A 29 10.377 11.898 -8.351 1.00 0.80 H new ATOM 0 HB2 PRO A 29 8.067 12.546 -9.613 1.00 0.93 H new ATOM 0 HB3 PRO A 29 9.058 13.786 -8.871 1.00 0.93 H new ATOM 0 HG2 PRO A 29 8.878 13.017 -11.810 1.00 1.06 H new ATOM 0 HG3 PRO A 29 9.032 14.617 -11.111 1.00 1.06 H new ATOM 0 HD2 PRO A 29 11.195 13.208 -12.143 1.00 1.04 H new ATOM 0 HD3 PRO A 29 11.365 14.446 -10.915 1.00 1.04 H new ATOM 419 N LEU A 30 9.476 9.724 -8.899 1.00 0.64 N ATOM 420 CA LEU A 30 8.915 8.390 -9.108 1.00 0.62 C ATOM 421 C LEU A 30 7.396 8.442 -8.951 1.00 0.58 C ATOM 422 O LEU A 30 6.841 9.279 -8.242 1.00 0.65 O ATOM 423 CB LEU A 30 9.521 7.381 -8.113 1.00 0.75 C ATOM 424 CG LEU A 30 10.807 6.646 -8.556 1.00 0.97 C ATOM 425 CD1 LEU A 30 11.850 7.522 -9.266 1.00 2.41 C ATOM 426 CD2 LEU A 30 11.432 5.923 -7.358 1.00 1.73 C ATOM 0 H LEU A 30 9.617 9.946 -7.914 1.00 0.64 H new ATOM 0 HA LEU A 30 9.161 8.060 -10.117 1.00 0.62 H new ATOM 0 HB2 LEU A 30 9.735 7.909 -7.184 1.00 0.75 H new ATOM 0 HB3 LEU A 30 8.763 6.631 -7.887 1.00 0.75 H new ATOM 0 HG LEU A 30 10.488 5.929 -9.313 1.00 0.97 H new ATOM 0 HD11 LEU A 30 12.713 6.914 -9.536 1.00 2.41 H new ATOM 0 HD12 LEU A 30 11.412 7.951 -10.167 1.00 2.41 H new ATOM 0 HD13 LEU A 30 12.166 8.324 -8.599 1.00 2.41 H new ATOM 0 HD21 LEU A 30 12.338 5.407 -7.677 1.00 1.73 H new ATOM 0 HD22 LEU A 30 11.681 6.649 -6.584 1.00 1.73 H new ATOM 0 HD23 LEU A 30 10.722 5.198 -6.960 1.00 1.73 H new ATOM 438 N ARG A 31 6.745 7.475 -9.593 1.00 0.54 N ATOM 439 CA ARG A 31 5.293 7.400 -9.767 1.00 0.47 C ATOM 440 C ARG A 31 4.820 5.954 -9.699 1.00 0.46 C ATOM 441 O ARG A 31 5.026 5.192 -10.645 1.00 0.55 O ATOM 442 CB ARG A 31 4.929 8.031 -11.113 1.00 0.49 C ATOM 443 CG ARG A 31 3.417 8.025 -11.392 1.00 0.50 C ATOM 444 CD ARG A 31 2.881 9.340 -11.975 1.00 0.85 C ATOM 445 NE ARG A 31 3.634 9.812 -13.154 1.00 1.10 N ATOM 446 CZ ARG A 31 4.391 10.907 -13.212 1.00 1.41 C ATOM 447 NH1 ARG A 31 4.715 11.604 -12.150 1.00 2.91 N ATOM 448 NH2 ARG A 31 4.845 11.323 -14.374 1.00 2.11 N ATOM 0 H ARG A 31 7.232 6.690 -10.024 1.00 0.54 H new ATOM 0 HA ARG A 31 4.796 7.945 -8.964 1.00 0.47 H new ATOM 0 HB2 ARG A 31 5.293 9.058 -11.136 1.00 0.49 H new ATOM 0 HB3 ARG A 31 5.442 7.493 -11.910 1.00 0.49 H new ATOM 0 HG2 ARG A 31 3.190 7.214 -12.084 1.00 0.50 H new ATOM 0 HG3 ARG A 31 2.888 7.810 -10.464 1.00 0.50 H new ATOM 0 HD2 ARG A 31 1.835 9.206 -12.252 1.00 0.85 H new ATOM 0 HD3 ARG A 31 2.911 10.109 -11.203 1.00 0.85 H new ATOM 0 HE ARG A 31 3.569 9.248 -14.002 1.00 1.10 H new ATOM 0 HH11 ARG A 31 4.385 11.314 -11.229 1.00 2.91 H new ATOM 0 HH12 ARG A 31 5.297 12.436 -12.244 1.00 2.91 H new ATOM 0 HH21 ARG A 31 4.617 10.808 -15.225 1.00 2.11 H new ATOM 0 HH22 ARG A 31 5.425 12.161 -14.425 1.00 2.11 H new ATOM 462 N LEU A 32 4.242 5.568 -8.568 1.00 0.44 N ATOM 463 CA LEU A 32 3.833 4.215 -8.204 1.00 0.44 C ATOM 464 C LEU A 32 2.428 3.937 -8.733 1.00 0.43 C ATOM 465 O LEU A 32 1.462 4.488 -8.222 1.00 0.46 O ATOM 466 CB LEU A 32 3.890 4.154 -6.672 1.00 0.48 C ATOM 467 CG LEU A 32 3.530 2.795 -6.044 1.00 0.75 C ATOM 468 CD1 LEU A 32 4.680 1.788 -6.199 1.00 1.93 C ATOM 469 CD2 LEU A 32 3.203 3.033 -4.564 1.00 2.19 C ATOM 0 H LEU A 32 4.032 6.238 -7.829 1.00 0.44 H new ATOM 0 HA LEU A 32 4.483 3.455 -8.638 1.00 0.44 H new ATOM 0 HB2 LEU A 32 4.896 4.426 -6.353 1.00 0.48 H new ATOM 0 HB3 LEU A 32 3.214 4.909 -6.271 1.00 0.48 H new ATOM 0 HG LEU A 32 2.668 2.366 -6.555 1.00 0.75 H new ATOM 0 HD11 LEU A 32 4.396 0.838 -5.746 1.00 1.93 H new ATOM 0 HD12 LEU A 32 4.891 1.636 -7.258 1.00 1.93 H new ATOM 0 HD13 LEU A 32 5.571 2.174 -5.704 1.00 1.93 H new ATOM 0 HD21 LEU A 32 2.944 2.085 -4.092 1.00 2.19 H new ATOM 0 HD22 LEU A 32 4.071 3.462 -4.064 1.00 2.19 H new ATOM 0 HD23 LEU A 32 2.361 3.721 -4.483 1.00 2.19 H new ATOM 481 N VAL A 33 2.325 3.075 -9.738 1.00 0.42 N ATOM 482 CA VAL A 33 1.082 2.803 -10.482 1.00 0.42 C ATOM 483 C VAL A 33 0.439 1.470 -10.056 1.00 0.41 C ATOM 484 O VAL A 33 -0.742 1.256 -10.303 1.00 0.46 O ATOM 485 CB VAL A 33 1.334 2.781 -12.015 1.00 0.44 C ATOM 486 CG1 VAL A 33 1.839 4.135 -12.545 1.00 0.53 C ATOM 487 CG2 VAL A 33 2.353 1.713 -12.463 1.00 0.43 C ATOM 0 H VAL A 33 3.118 2.528 -10.073 1.00 0.42 H new ATOM 0 HA VAL A 33 0.395 3.615 -10.242 1.00 0.42 H new ATOM 0 HB VAL A 33 0.355 2.542 -12.432 1.00 0.44 H new ATOM 0 HG11 VAL A 33 2.000 4.067 -13.621 1.00 0.53 H new ATOM 0 HG12 VAL A 33 1.098 4.907 -12.337 1.00 0.53 H new ATOM 0 HG13 VAL A 33 2.777 4.391 -12.053 1.00 0.53 H new ATOM 0 HG21 VAL A 33 2.476 1.759 -13.545 1.00 0.43 H new ATOM 0 HG22 VAL A 33 3.312 1.900 -11.980 1.00 0.43 H new ATOM 0 HG23 VAL A 33 1.992 0.724 -12.181 1.00 0.43 H new ATOM 497 N GLY A 34 1.214 0.554 -9.453 1.00 0.39 N ATOM 498 CA GLY A 34 0.745 -0.740 -8.948 1.00 0.41 C ATOM 499 C GLY A 34 1.685 -1.371 -7.925 1.00 0.42 C ATOM 500 O GLY A 34 2.705 -0.794 -7.547 1.00 0.44 O ATOM 0 H GLY A 34 2.212 0.701 -9.301 1.00 0.39 H new ATOM 0 HA2 GLY A 34 -0.238 -0.610 -8.495 1.00 0.41 H new ATOM 0 HA3 GLY A 34 0.621 -1.425 -9.787 1.00 0.41 H new ATOM 504 N ALA A 35 1.350 -2.597 -7.526 1.00 0.45 N ATOM 505 CA ALA A 35 2.241 -3.489 -6.789 1.00 0.44 C ATOM 506 C ALA A 35 2.197 -4.933 -7.332 1.00 0.44 C ATOM 507 O ALA A 35 1.445 -5.243 -8.256 1.00 0.49 O ATOM 508 CB ALA A 35 1.889 -3.412 -5.293 1.00 0.46 C ATOM 0 H ALA A 35 0.434 -3.005 -7.710 1.00 0.45 H new ATOM 0 HA ALA A 35 3.272 -3.162 -6.927 1.00 0.44 H new ATOM 0 HB1 ALA A 35 2.547 -4.074 -4.730 1.00 0.46 H new ATOM 0 HB2 ALA A 35 2.017 -2.388 -4.941 1.00 0.46 H new ATOM 0 HB3 ALA A 35 0.854 -3.719 -5.147 1.00 0.46 H new ATOM 514 N ARG A 36 2.979 -5.816 -6.710 1.00 0.44 N ATOM 515 CA ARG A 36 2.855 -7.283 -6.730 1.00 0.47 C ATOM 516 C ARG A 36 3.155 -7.805 -5.311 1.00 0.56 C ATOM 517 O ARG A 36 3.678 -7.053 -4.491 1.00 0.65 O ATOM 518 CB ARG A 36 3.866 -7.896 -7.723 1.00 0.55 C ATOM 519 CG ARG A 36 3.286 -8.829 -8.784 1.00 1.15 C ATOM 520 CD ARG A 36 4.249 -9.990 -9.117 1.00 1.85 C ATOM 521 NE ARG A 36 4.532 -10.091 -10.559 1.00 2.45 N ATOM 522 CZ ARG A 36 5.601 -9.599 -11.180 1.00 3.75 C ATOM 523 NH1 ARG A 36 6.551 -8.929 -10.564 1.00 4.55 N ATOM 524 NH2 ARG A 36 5.729 -9.775 -12.480 1.00 4.99 N ATOM 0 H ARG A 36 3.768 -5.511 -6.141 1.00 0.44 H new ATOM 0 HA ARG A 36 1.849 -7.564 -7.043 1.00 0.47 H new ATOM 0 HB2 ARG A 36 4.386 -7.082 -8.229 1.00 0.55 H new ATOM 0 HB3 ARG A 36 4.614 -8.447 -7.154 1.00 0.55 H new ATOM 0 HG2 ARG A 36 2.337 -9.234 -8.432 1.00 1.15 H new ATOM 0 HG3 ARG A 36 3.074 -8.261 -9.690 1.00 1.15 H new ATOM 0 HD2 ARG A 36 5.184 -9.849 -8.575 1.00 1.85 H new ATOM 0 HD3 ARG A 36 3.817 -10.928 -8.768 1.00 1.85 H new ATOM 0 HE ARG A 36 3.847 -10.582 -11.133 1.00 2.45 H new ATOM 0 HH11 ARG A 36 6.490 -8.764 -9.559 1.00 4.55 H new ATOM 0 HH12 ARG A 36 7.349 -8.574 -11.091 1.00 4.55 H new ATOM 0 HH21 ARG A 36 5.013 -10.284 -12.999 1.00 4.99 H new ATOM 0 HH22 ARG A 36 6.544 -9.403 -12.967 1.00 4.99 H new ATOM 538 N THR A 37 2.917 -9.088 -5.023 1.00 0.56 N ATOM 539 CA THR A 37 3.221 -9.753 -3.738 1.00 0.57 C ATOM 540 C THR A 37 2.988 -11.258 -3.895 1.00 0.60 C ATOM 541 O THR A 37 2.113 -11.619 -4.682 1.00 0.62 O ATOM 542 CB THR A 37 2.398 -9.154 -2.584 1.00 0.63 C ATOM 543 OG1 THR A 37 2.594 -9.876 -1.398 1.00 0.72 O ATOM 544 CG2 THR A 37 0.893 -9.126 -2.839 1.00 0.66 C ATOM 0 H THR A 37 2.491 -9.722 -5.699 1.00 0.56 H new ATOM 0 HA THR A 37 4.266 -9.584 -3.478 1.00 0.57 H new ATOM 0 HB THR A 37 2.758 -8.129 -2.502 1.00 0.63 H new ATOM 0 HG1 THR A 37 3.392 -9.540 -0.939 1.00 0.72 H new ATOM 0 HG21 THR A 37 0.386 -8.689 -1.978 1.00 0.66 H new ATOM 0 HG22 THR A 37 0.685 -8.526 -3.725 1.00 0.66 H new ATOM 0 HG23 THR A 37 0.532 -10.142 -2.996 1.00 0.66 H new ATOM 552 N PRO A 38 3.719 -12.139 -3.184 1.00 0.65 N ATOM 553 CA PRO A 38 3.532 -13.585 -3.298 1.00 0.69 C ATOM 554 C PRO A 38 2.299 -14.109 -2.548 1.00 0.70 C ATOM 555 O PRO A 38 1.883 -15.236 -2.784 1.00 0.79 O ATOM 556 CB PRO A 38 4.827 -14.187 -2.753 1.00 0.76 C ATOM 557 CG PRO A 38 5.341 -13.159 -1.753 1.00 0.78 C ATOM 558 CD PRO A 38 4.867 -11.830 -2.338 1.00 0.72 C ATOM 0 HA PRO A 38 3.339 -13.869 -4.332 1.00 0.69 H new ATOM 0 HB2 PRO A 38 4.645 -15.149 -2.274 1.00 0.76 H new ATOM 0 HB3 PRO A 38 5.550 -14.359 -3.550 1.00 0.76 H new ATOM 0 HG2 PRO A 38 4.933 -13.328 -0.757 1.00 0.78 H new ATOM 0 HG3 PRO A 38 6.427 -13.194 -1.663 1.00 0.78 H new ATOM 0 HD2 PRO A 38 4.590 -11.134 -1.546 1.00 0.72 H new ATOM 0 HD3 PRO A 38 5.660 -11.356 -2.917 1.00 0.72 H new ATOM 566 N VAL A 39 1.715 -13.301 -1.657 1.00 0.69 N ATOM 567 CA VAL A 39 0.566 -13.666 -0.809 1.00 0.71 C ATOM 568 C VAL A 39 -0.744 -12.996 -1.230 1.00 0.66 C ATOM 569 O VAL A 39 -1.652 -12.848 -0.419 1.00 0.73 O ATOM 570 CB VAL A 39 0.881 -13.407 0.677 1.00 0.76 C ATOM 571 CG1 VAL A 39 2.072 -14.253 1.159 1.00 0.86 C ATOM 572 CG2 VAL A 39 1.138 -11.913 0.921 1.00 0.73 C ATOM 0 H VAL A 39 2.035 -12.346 -1.498 1.00 0.69 H new ATOM 0 HA VAL A 39 0.406 -14.735 -0.952 1.00 0.71 H new ATOM 0 HB VAL A 39 0.010 -13.708 1.259 1.00 0.76 H new ATOM 0 HG11 VAL A 39 2.265 -14.044 2.211 1.00 0.86 H new ATOM 0 HG12 VAL A 39 1.840 -15.311 1.036 1.00 0.86 H new ATOM 0 HG13 VAL A 39 2.956 -14.005 0.572 1.00 0.86 H new ATOM 0 HG21 VAL A 39 1.359 -11.749 1.976 1.00 0.73 H new ATOM 0 HG22 VAL A 39 1.985 -11.586 0.318 1.00 0.73 H new ATOM 0 HG23 VAL A 39 0.253 -11.341 0.643 1.00 0.73 H new ATOM 582 N ALA A 40 -0.872 -12.651 -2.510 1.00 0.58 N ATOM 583 CA ALA A 40 -2.134 -12.319 -3.179 1.00 0.52 C ATOM 584 C ALA A 40 -2.044 -12.737 -4.655 1.00 0.61 C ATOM 585 O ALA A 40 -0.955 -12.950 -5.179 1.00 0.86 O ATOM 586 CB ALA A 40 -2.414 -10.819 -3.024 1.00 0.54 C ATOM 0 H ALA A 40 -0.069 -12.592 -3.136 1.00 0.58 H new ATOM 0 HA ALA A 40 -2.964 -12.860 -2.724 1.00 0.52 H new ATOM 0 HB1 ALA A 40 -3.352 -10.571 -3.521 1.00 0.54 H new ATOM 0 HB2 ALA A 40 -2.487 -10.570 -1.965 1.00 0.54 H new ATOM 0 HB3 ALA A 40 -1.602 -10.249 -3.476 1.00 0.54 H new ATOM 592 N GLU A 41 -3.190 -12.871 -5.312 1.00 0.62 N ATOM 593 CA GLU A 41 -3.293 -13.205 -6.735 1.00 0.73 C ATOM 594 C GLU A 41 -3.444 -11.966 -7.629 1.00 0.76 C ATOM 595 O GLU A 41 -2.907 -11.910 -8.733 1.00 1.08 O ATOM 596 CB GLU A 41 -4.516 -14.106 -6.906 1.00 0.82 C ATOM 597 CG GLU A 41 -4.446 -14.880 -8.223 1.00 1.00 C ATOM 598 CD GLU A 41 -5.625 -15.831 -8.302 1.00 1.92 C ATOM 599 OE1 GLU A 41 -5.610 -16.805 -7.520 1.00 3.00 O ATOM 600 OE2 GLU A 41 -6.554 -15.521 -9.078 1.00 3.10 O ATOM 0 H GLU A 41 -4.098 -12.748 -4.863 1.00 0.62 H new ATOM 0 HA GLU A 41 -2.372 -13.700 -7.043 1.00 0.73 H new ATOM 0 HB2 GLU A 41 -4.577 -14.805 -6.072 1.00 0.82 H new ATOM 0 HB3 GLU A 41 -5.423 -13.502 -6.883 1.00 0.82 H new ATOM 0 HG2 GLU A 41 -4.462 -14.190 -9.066 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -3.510 -15.435 -8.284 1.00 1.00 H new ATOM 607 N ARG A 42 -4.177 -10.963 -7.137 1.00 0.62 N ATOM 608 CA ARG A 42 -4.297 -9.632 -7.708 1.00 0.69 C ATOM 609 C ARG A 42 -4.058 -8.627 -6.579 1.00 0.63 C ATOM 610 O ARG A 42 -4.188 -8.947 -5.397 1.00 0.94 O ATOM 611 CB ARG A 42 -5.683 -9.427 -8.356 1.00 0.81 C ATOM 612 CG ARG A 42 -6.069 -10.499 -9.398 1.00 1.46 C ATOM 613 CD ARG A 42 -6.972 -11.599 -8.804 1.00 2.64 C ATOM 614 NE ARG A 42 -7.034 -12.830 -9.615 1.00 3.93 N ATOM 615 CZ ARG A 42 -7.437 -13.015 -10.863 1.00 4.43 C ATOM 616 NH1 ARG A 42 -7.811 -12.032 -11.655 1.00 4.15 N ATOM 617 NH2 ARG A 42 -7.465 -14.248 -11.311 1.00 5.87 N ATOM 0 H ARG A 42 -4.728 -11.070 -6.286 1.00 0.62 H new ATOM 0 HA ARG A 42 -3.562 -9.491 -8.501 1.00 0.69 H new ATOM 0 HB2 ARG A 42 -6.439 -9.414 -7.571 1.00 0.81 H new ATOM 0 HB3 ARG A 42 -5.704 -8.448 -8.836 1.00 0.81 H new ATOM 0 HG2 ARG A 42 -6.583 -10.022 -10.232 1.00 1.46 H new ATOM 0 HG3 ARG A 42 -5.164 -10.954 -9.800 1.00 1.46 H new ATOM 0 HD2 ARG A 42 -6.611 -11.851 -7.807 1.00 2.64 H new ATOM 0 HD3 ARG A 42 -7.981 -11.202 -8.687 1.00 2.64 H new ATOM 0 HE ARG A 42 -6.716 -13.674 -9.138 1.00 3.93 H new ATOM 0 HH11 ARG A 42 -7.799 -11.070 -11.315 1.00 4.15 H new ATOM 0 HH12 ARG A 42 -8.113 -12.232 -12.609 1.00 4.15 H new ATOM 0 HH21 ARG A 42 -7.183 -15.018 -10.704 1.00 5.87 H new ATOM 0 HH22 ARG A 42 -7.769 -14.437 -12.266 1.00 5.87 H new ATOM 631 N VAL A 43 -3.738 -7.398 -6.940 1.00 0.52 N ATOM 632 CA VAL A 43 -3.590 -6.255 -6.029 1.00 0.53 C ATOM 633 C VAL A 43 -4.128 -4.995 -6.717 1.00 0.62 C ATOM 634 O VAL A 43 -4.200 -4.955 -7.945 1.00 0.99 O ATOM 635 CB VAL A 43 -2.128 -6.105 -5.547 1.00 0.58 C ATOM 636 CG1 VAL A 43 -1.152 -5.740 -6.672 1.00 0.69 C ATOM 637 CG2 VAL A 43 -1.966 -5.099 -4.399 1.00 0.77 C ATOM 0 H VAL A 43 -3.565 -7.148 -7.914 1.00 0.52 H new ATOM 0 HA VAL A 43 -4.178 -6.423 -5.127 1.00 0.53 H new ATOM 0 HB VAL A 43 -1.875 -7.098 -5.176 1.00 0.58 H new ATOM 0 HG11 VAL A 43 -0.145 -5.650 -6.265 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -1.167 -6.519 -7.434 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -1.449 -4.791 -7.118 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -0.917 -5.043 -4.110 1.00 0.77 H new ATOM 0 HG22 VAL A 43 -2.306 -4.116 -4.726 1.00 0.77 H new ATOM 0 HG23 VAL A 43 -2.561 -5.423 -3.545 1.00 0.77 H new ATOM 647 N GLU A 44 -4.548 -4.013 -5.923 1.00 0.45 N ATOM 648 CA GLU A 44 -5.321 -2.837 -6.323 1.00 0.47 C ATOM 649 C GLU A 44 -4.967 -1.676 -5.369 1.00 0.49 C ATOM 650 O GLU A 44 -4.528 -1.921 -4.240 1.00 0.51 O ATOM 651 CB GLU A 44 -6.814 -3.230 -6.296 1.00 0.66 C ATOM 652 CG GLU A 44 -7.607 -2.779 -7.528 1.00 1.28 C ATOM 653 CD GLU A 44 -8.207 -1.405 -7.295 1.00 2.77 C ATOM 654 OE1 GLU A 44 -7.431 -0.426 -7.332 1.00 4.19 O ATOM 655 OE2 GLU A 44 -9.416 -1.364 -6.978 1.00 3.35 O ATOM 0 H GLU A 44 -4.346 -4.016 -4.923 1.00 0.45 H new ATOM 0 HA GLU A 44 -5.089 -2.497 -7.332 1.00 0.47 H new ATOM 0 HB2 GLU A 44 -6.891 -4.314 -6.205 1.00 0.66 H new ATOM 0 HB3 GLU A 44 -7.274 -2.802 -5.405 1.00 0.66 H new ATOM 0 HG2 GLU A 44 -6.954 -2.755 -8.400 1.00 1.28 H new ATOM 0 HG3 GLU A 44 -8.398 -3.497 -7.742 1.00 1.28 H new ATOM 662 N LEU A 45 -5.077 -0.420 -5.812 1.00 0.70 N ATOM 663 CA LEU A 45 -4.430 0.732 -5.168 1.00 0.52 C ATOM 664 C LEU A 45 -5.466 1.768 -4.735 1.00 0.47 C ATOM 665 O LEU A 45 -6.037 2.485 -5.558 1.00 0.64 O ATOM 666 CB LEU A 45 -3.394 1.318 -6.147 1.00 0.68 C ATOM 667 CG LEU A 45 -2.714 2.614 -5.661 1.00 0.45 C ATOM 668 CD1 LEU A 45 -1.834 2.432 -4.420 1.00 0.64 C ATOM 669 CD2 LEU A 45 -1.836 3.162 -6.793 1.00 0.82 C ATOM 0 H LEU A 45 -5.623 -0.170 -6.636 1.00 0.70 H new ATOM 0 HA LEU A 45 -3.917 0.416 -4.260 1.00 0.52 H new ATOM 0 HB2 LEU A 45 -2.625 0.568 -6.334 1.00 0.68 H new ATOM 0 HB3 LEU A 45 -3.885 1.516 -7.100 1.00 0.68 H new ATOM 0 HG LEU A 45 -3.516 3.298 -5.385 1.00 0.45 H new ATOM 0 HD11 LEU A 45 -1.393 3.390 -4.143 1.00 0.64 H new ATOM 0 HD12 LEU A 45 -2.441 2.060 -3.595 1.00 0.64 H new ATOM 0 HD13 LEU A 45 -1.041 1.717 -4.638 1.00 0.64 H new ATOM 0 HD21 LEU A 45 -1.348 4.079 -6.464 1.00 0.82 H new ATOM 0 HD22 LEU A 45 -1.079 2.423 -7.057 1.00 0.82 H new ATOM 0 HD23 LEU A 45 -2.456 3.373 -7.664 1.00 0.82 H new ATOM 681 N HIS A 46 -5.700 1.865 -3.424 1.00 0.44 N ATOM 682 CA HIS A 46 -6.803 2.639 -2.857 1.00 0.42 C ATOM 683 C HIS A 46 -6.366 3.804 -1.957 1.00 0.46 C ATOM 684 O HIS A 46 -5.428 3.695 -1.163 1.00 0.68 O ATOM 685 CB HIS A 46 -7.706 1.712 -2.034 1.00 0.45 C ATOM 686 CG HIS A 46 -8.406 0.596 -2.763 1.00 0.43 C ATOM 687 ND1 HIS A 46 -9.093 -0.439 -2.144 1.00 0.48 N ATOM 688 CD2 HIS A 46 -8.474 0.384 -4.109 1.00 0.49 C ATOM 689 CE1 HIS A 46 -9.521 -1.263 -3.102 1.00 0.55 C ATOM 690 NE2 HIS A 46 -9.195 -0.767 -4.307 1.00 0.57 N ATOM 0 H HIS A 46 -5.123 1.403 -2.721 1.00 0.44 H new ATOM 0 HA HIS A 46 -7.325 3.074 -3.709 1.00 0.42 H new ATOM 0 HB2 HIS A 46 -7.101 1.269 -1.243 1.00 0.45 H new ATOM 0 HB3 HIS A 46 -8.466 2.326 -1.550 1.00 0.45 H new ATOM 0 HD2 HIS A 46 -8.040 1.007 -4.877 1.00 0.49 H new ATOM 0 HE1 HIS A 46 -10.050 -2.189 -2.934 1.00 0.55 H new ATOM 0 HE2 HIS A 46 -9.440 -1.174 -5.210 1.00 0.57 H new ATOM 698 N GLU A 47 -7.152 4.875 -2.031 1.00 0.40 N ATOM 699 CA GLU A 47 -7.199 5.983 -1.073 1.00 0.44 C ATOM 700 C GLU A 47 -8.129 5.661 0.110 1.00 0.49 C ATOM 701 O GLU A 47 -8.883 4.677 0.076 1.00 0.60 O ATOM 702 CB GLU A 47 -7.640 7.264 -1.805 1.00 0.47 C ATOM 703 CG GLU A 47 -9.082 7.204 -2.336 1.00 0.52 C ATOM 704 CD GLU A 47 -9.635 8.536 -2.834 1.00 0.94 C ATOM 705 OE1 GLU A 47 -8.993 9.219 -3.654 1.00 2.16 O ATOM 706 OE2 GLU A 47 -10.808 8.823 -2.499 1.00 2.11 O ATOM 0 H GLU A 47 -7.809 5.003 -2.801 1.00 0.40 H new ATOM 0 HA GLU A 47 -6.204 6.138 -0.656 1.00 0.44 H new ATOM 0 HB2 GLU A 47 -7.547 8.111 -1.125 1.00 0.47 H new ATOM 0 HB3 GLU A 47 -6.962 7.448 -2.638 1.00 0.47 H new ATOM 0 HG2 GLU A 47 -9.125 6.481 -3.151 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -9.731 6.830 -1.544 1.00 0.52 H new ATOM 713 N THR A 48 -8.126 6.479 1.169 1.00 0.57 N ATOM 714 CA THR A 48 -9.054 6.354 2.304 1.00 0.51 C ATOM 715 C THR A 48 -9.359 7.773 2.808 1.00 0.56 C ATOM 716 O THR A 48 -8.470 8.623 2.781 1.00 0.63 O ATOM 717 CB THR A 48 -8.389 5.469 3.364 1.00 0.57 C ATOM 718 OG1 THR A 48 -8.088 4.219 2.771 1.00 0.78 O ATOM 719 CG2 THR A 48 -9.290 5.213 4.572 1.00 0.65 C ATOM 0 H THR A 48 -7.472 7.256 1.265 1.00 0.57 H new ATOM 0 HA THR A 48 -9.999 5.884 2.033 1.00 0.51 H new ATOM 0 HB THR A 48 -7.498 5.989 3.716 1.00 0.57 H new ATOM 0 HG1 THR A 48 -8.848 3.611 2.885 1.00 0.78 H new ATOM 0 HG21 THR A 48 -8.766 4.581 5.289 1.00 0.65 H new ATOM 0 HG22 THR A 48 -9.545 6.162 5.043 1.00 0.65 H new ATOM 0 HG23 THR A 48 -10.202 4.713 4.246 1.00 0.65 H new ATOM 727 N PHE A 49 -10.602 8.055 3.223 1.00 0.67 N ATOM 728 CA PHE A 49 -11.078 9.430 3.466 1.00 0.77 C ATOM 729 C PHE A 49 -12.354 9.529 4.330 1.00 0.68 C ATOM 730 O PHE A 49 -12.952 8.532 4.735 1.00 0.64 O ATOM 731 CB PHE A 49 -11.261 10.156 2.113 1.00 0.86 C ATOM 732 CG PHE A 49 -12.375 9.605 1.238 1.00 0.78 C ATOM 733 CD1 PHE A 49 -12.141 8.514 0.379 1.00 1.83 C ATOM 734 CD2 PHE A 49 -13.650 10.196 1.269 1.00 1.95 C ATOM 735 CE1 PHE A 49 -13.191 7.995 -0.391 1.00 1.90 C ATOM 736 CE2 PHE A 49 -14.698 9.685 0.486 1.00 1.96 C ATOM 737 CZ PHE A 49 -14.474 8.565 -0.333 1.00 0.95 C ATOM 0 H PHE A 49 -11.307 7.340 3.400 1.00 0.67 H new ATOM 0 HA PHE A 49 -10.308 9.923 4.060 1.00 0.77 H new ATOM 0 HB2 PHE A 49 -11.458 11.210 2.307 1.00 0.86 H new ATOM 0 HB3 PHE A 49 -10.324 10.104 1.559 1.00 0.86 H new ATOM 0 HD1 PHE A 49 -11.155 8.078 0.314 1.00 1.83 H new ATOM 0 HD2 PHE A 49 -13.826 11.053 1.902 1.00 1.95 H new ATOM 0 HE1 PHE A 49 -13.012 7.148 -1.036 1.00 1.90 H new ATOM 0 HE2 PHE A 49 -15.672 10.151 0.513 1.00 1.96 H new ATOM 0 HZ PHE A 49 -15.282 8.145 -0.914 1.00 0.95 H new ATOM 747 N MET A 50 -12.801 10.765 4.591 1.00 0.78 N ATOM 748 CA MET A 50 -14.029 11.104 5.326 1.00 0.84 C ATOM 749 C MET A 50 -15.034 11.891 4.465 1.00 0.73 C ATOM 750 O MET A 50 -14.638 12.623 3.561 1.00 0.68 O ATOM 751 CB MET A 50 -13.671 11.897 6.589 1.00 1.13 C ATOM 752 CG MET A 50 -12.915 13.204 6.316 1.00 1.92 C ATOM 753 SD MET A 50 -12.947 14.341 7.724 1.00 2.53 S ATOM 754 CE MET A 50 -14.370 15.355 7.240 1.00 3.81 C ATOM 0 H MET A 50 -12.294 11.594 4.282 1.00 0.78 H new ATOM 0 HA MET A 50 -14.516 10.169 5.602 1.00 0.84 H new ATOM 0 HB2 MET A 50 -14.587 12.127 7.132 1.00 1.13 H new ATOM 0 HB3 MET A 50 -13.064 11.268 7.240 1.00 1.13 H new ATOM 0 HG2 MET A 50 -11.880 12.974 6.064 1.00 1.92 H new ATOM 0 HG3 MET A 50 -13.352 13.696 5.447 1.00 1.92 H new ATOM 0 HE1 MET A 50 -14.545 16.120 7.996 1.00 3.81 H new ATOM 0 HE2 MET A 50 -14.168 15.832 6.281 1.00 3.81 H new ATOM 0 HE3 MET A 50 -15.254 14.723 7.152 1.00 3.81 H new ATOM 764 N ARG A 51 -16.333 11.752 4.749 1.00 0.78 N ATOM 765 CA ARG A 51 -17.435 12.339 3.963 1.00 0.71 C ATOM 766 C ARG A 51 -18.715 12.525 4.788 1.00 0.93 C ATOM 767 O ARG A 51 -19.030 11.714 5.660 1.00 1.16 O ATOM 768 CB ARG A 51 -17.706 11.508 2.686 1.00 0.79 C ATOM 769 CG ARG A 51 -17.668 9.979 2.890 1.00 1.86 C ATOM 770 CD ARG A 51 -18.265 9.196 1.715 1.00 2.43 C ATOM 771 NE ARG A 51 -18.090 7.753 1.937 1.00 4.40 N ATOM 772 CZ ARG A 51 -18.218 6.766 1.065 1.00 5.76 C ATOM 773 NH1 ARG A 51 -18.598 6.961 -0.181 1.00 5.73 N ATOM 774 NH2 ARG A 51 -17.955 5.548 1.474 1.00 7.61 N ATOM 0 H ARG A 51 -16.661 11.215 5.552 1.00 0.78 H new ATOM 0 HA ARG A 51 -17.113 13.336 3.662 1.00 0.71 H new ATOM 0 HB2 ARG A 51 -18.684 11.784 2.291 1.00 0.79 H new ATOM 0 HB3 ARG A 51 -16.969 11.778 1.930 1.00 0.79 H new ATOM 0 HG2 ARG A 51 -16.635 9.665 3.040 1.00 1.86 H new ATOM 0 HG3 ARG A 51 -18.213 9.727 3.800 1.00 1.86 H new ATOM 0 HD2 ARG A 51 -19.324 9.431 1.610 1.00 2.43 H new ATOM 0 HD3 ARG A 51 -17.779 9.492 0.785 1.00 2.43 H new ATOM 0 HE ARG A 51 -17.837 7.477 2.886 1.00 4.40 H new ATOM 0 HH11 ARG A 51 -18.807 7.904 -0.509 1.00 5.73 H new ATOM 0 HH12 ARG A 51 -18.683 6.169 -0.818 1.00 5.73 H new ATOM 0 HH21 ARG A 51 -17.662 5.386 2.438 1.00 7.61 H new ATOM 0 HH22 ARG A 51 -18.043 4.763 0.829 1.00 7.61 H new ATOM 788 N GLU A 52 -19.488 13.569 4.508 1.00 0.98 N ATOM 789 CA GLU A 52 -20.804 13.809 5.059 1.00 1.12 C ATOM 790 C GLU A 52 -21.878 13.409 4.037 1.00 1.30 C ATOM 791 O GLU A 52 -21.694 13.650 2.846 1.00 1.43 O ATOM 792 CB GLU A 52 -20.856 15.312 5.326 1.00 1.27 C ATOM 793 CG GLU A 52 -21.934 15.666 6.329 1.00 1.42 C ATOM 794 CD GLU A 52 -21.587 15.289 7.772 1.00 1.77 C ATOM 795 OE1 GLU A 52 -20.410 15.041 8.113 1.00 2.24 O ATOM 796 OE2 GLU A 52 -22.511 15.242 8.607 1.00 2.68 O ATOM 0 H GLU A 52 -19.195 14.300 3.860 1.00 0.98 H new ATOM 0 HA GLU A 52 -20.987 13.230 5.964 1.00 1.12 H new ATOM 0 HB2 GLU A 52 -19.888 15.649 5.698 1.00 1.27 H new ATOM 0 HB3 GLU A 52 -21.041 15.841 4.391 1.00 1.27 H new ATOM 0 HG2 GLU A 52 -22.124 16.738 6.280 1.00 1.42 H new ATOM 0 HG3 GLU A 52 -22.859 15.165 6.045 1.00 1.42 H new ATOM 803 N VAL A 53 -22.992 12.827 4.489 1.00 1.49 N ATOM 804 CA VAL A 53 -24.171 12.478 3.673 1.00 1.77 C ATOM 805 C VAL A 53 -25.422 12.771 4.511 1.00 1.93 C ATOM 806 O VAL A 53 -25.527 12.249 5.611 1.00 2.11 O ATOM 807 CB VAL A 53 -24.130 10.981 3.256 1.00 1.91 C ATOM 808 CG1 VAL A 53 -25.355 10.597 2.413 1.00 2.66 C ATOM 809 CG2 VAL A 53 -22.862 10.619 2.456 1.00 2.62 C ATOM 0 H VAL A 53 -23.108 12.574 5.470 1.00 1.49 H new ATOM 0 HA VAL A 53 -24.182 13.068 2.757 1.00 1.77 H new ATOM 0 HB VAL A 53 -24.128 10.421 4.191 1.00 1.91 H new ATOM 0 HG11 VAL A 53 -25.293 9.544 2.139 1.00 2.66 H new ATOM 0 HG12 VAL A 53 -26.263 10.769 2.991 1.00 2.66 H new ATOM 0 HG13 VAL A 53 -25.380 11.206 1.509 1.00 2.66 H new ATOM 0 HG21 VAL A 53 -22.888 9.562 2.192 1.00 2.62 H new ATOM 0 HG22 VAL A 53 -22.822 11.219 1.547 1.00 2.62 H new ATOM 0 HG23 VAL A 53 -21.979 10.820 3.063 1.00 2.62 H new ATOM 819 N GLU A 54 -26.324 13.645 4.040 1.00 2.25 N ATOM 820 CA GLU A 54 -27.578 14.060 4.723 1.00 2.52 C ATOM 821 C GLU A 54 -27.377 14.828 6.054 1.00 2.45 C ATOM 822 O GLU A 54 -28.318 14.985 6.831 1.00 2.85 O ATOM 823 CB GLU A 54 -28.515 12.859 4.984 1.00 2.81 C ATOM 824 CG GLU A 54 -28.977 12.053 3.766 1.00 3.45 C ATOM 825 CD GLU A 54 -29.552 10.740 4.289 1.00 3.95 C ATOM 826 OE1 GLU A 54 -28.766 9.782 4.465 1.00 4.35 O ATOM 827 OE2 GLU A 54 -30.711 10.722 4.762 1.00 4.61 O ATOM 0 H GLU A 54 -26.204 14.105 3.138 1.00 2.25 H new ATOM 0 HA GLU A 54 -28.033 14.756 4.018 1.00 2.52 H new ATOM 0 HB2 GLU A 54 -28.008 12.178 5.667 1.00 2.81 H new ATOM 0 HB3 GLU A 54 -29.401 13.228 5.501 1.00 2.81 H new ATOM 0 HG2 GLU A 54 -29.729 12.605 3.201 1.00 3.45 H new ATOM 0 HG3 GLU A 54 -28.143 11.866 3.089 1.00 3.45 H new ATOM 834 N GLY A 55 -26.154 15.275 6.353 1.00 2.09 N ATOM 835 CA GLY A 55 -25.771 15.768 7.692 1.00 2.12 C ATOM 836 C GLY A 55 -25.360 14.645 8.657 1.00 2.21 C ATOM 837 O GLY A 55 -25.416 14.805 9.876 1.00 2.56 O ATOM 0 H GLY A 55 -25.393 15.308 5.674 1.00 2.09 H new ATOM 0 HA2 GLY A 55 -24.944 16.471 7.590 1.00 2.12 H new ATOM 0 HA3 GLY A 55 -26.607 16.319 8.122 1.00 2.12 H new ATOM 841 N LYS A 56 -24.942 13.506 8.105 1.00 2.04 N ATOM 842 CA LYS A 56 -24.419 12.336 8.802 1.00 2.14 C ATOM 843 C LYS A 56 -22.971 12.120 8.327 1.00 1.81 C ATOM 844 O LYS A 56 -22.702 11.922 7.138 1.00 1.65 O ATOM 845 CB LYS A 56 -25.285 11.085 8.508 1.00 2.43 C ATOM 846 CG LYS A 56 -26.812 11.295 8.590 1.00 2.99 C ATOM 847 CD LYS A 56 -27.568 10.118 7.948 1.00 3.99 C ATOM 848 CE LYS A 56 -29.065 10.438 7.840 1.00 4.02 C ATOM 849 NZ LYS A 56 -29.768 9.480 6.955 1.00 4.63 N ATOM 0 H LYS A 56 -24.962 13.370 7.094 1.00 2.04 H new ATOM 0 HA LYS A 56 -24.445 12.497 9.880 1.00 2.14 H new ATOM 0 HB2 LYS A 56 -25.040 10.722 7.510 1.00 2.43 H new ATOM 0 HB3 LYS A 56 -25.006 10.299 9.210 1.00 2.43 H new ATOM 0 HG2 LYS A 56 -27.113 11.399 9.633 1.00 2.99 H new ATOM 0 HG3 LYS A 56 -27.082 12.223 8.086 1.00 2.99 H new ATOM 0 HD2 LYS A 56 -27.161 9.913 6.958 1.00 3.99 H new ATOM 0 HD3 LYS A 56 -27.424 9.217 8.544 1.00 3.99 H new ATOM 0 HE2 LYS A 56 -29.515 10.414 8.833 1.00 4.02 H new ATOM 0 HE3 LYS A 56 -29.194 11.450 7.456 1.00 4.02 H new ATOM 0 HZ1 LYS A 56 -30.521 9.975 6.436 1.00 4.63 H new ATOM 0 HZ2 LYS A 56 -29.092 9.072 6.278 1.00 4.63 H new ATOM 0 HZ3 LYS A 56 -30.185 8.719 7.529 1.00 4.63 H new ATOM 863 N LYS A 57 -22.021 12.160 9.254 1.00 1.86 N ATOM 864 CA LYS A 57 -20.610 11.869 9.036 1.00 1.74 C ATOM 865 C LYS A 57 -20.364 10.361 8.838 1.00 1.84 C ATOM 866 O LYS A 57 -20.781 9.543 9.651 1.00 2.24 O ATOM 867 CB LYS A 57 -19.761 12.476 10.172 1.00 1.98 C ATOM 868 CG LYS A 57 -20.285 12.371 11.619 1.00 3.04 C ATOM 869 CD LYS A 57 -21.290 13.446 12.098 1.00 3.99 C ATOM 870 CE LYS A 57 -20.783 14.899 12.061 1.00 3.15 C ATOM 871 NZ LYS A 57 -20.992 15.569 10.750 1.00 3.12 N ATOM 0 H LYS A 57 -22.223 12.408 10.223 1.00 1.86 H new ATOM 0 HA LYS A 57 -20.293 12.342 8.107 1.00 1.74 H new ATOM 0 HB2 LYS A 57 -18.779 12.004 10.140 1.00 1.98 H new ATOM 0 HB3 LYS A 57 -19.615 13.533 9.948 1.00 1.98 H new ATOM 0 HG2 LYS A 57 -20.756 11.395 11.735 1.00 3.04 H new ATOM 0 HG3 LYS A 57 -19.426 12.392 12.290 1.00 3.04 H new ATOM 0 HD2 LYS A 57 -22.187 13.378 11.482 1.00 3.99 H new ATOM 0 HD3 LYS A 57 -21.586 13.210 13.120 1.00 3.99 H new ATOM 0 HE2 LYS A 57 -21.290 15.472 12.837 1.00 3.15 H new ATOM 0 HE3 LYS A 57 -19.720 14.910 12.300 1.00 3.15 H new ATOM 0 HZ1 LYS A 57 -21.173 16.582 10.903 1.00 3.12 H new ATOM 0 HZ2 LYS A 57 -20.142 15.454 10.162 1.00 3.12 H new ATOM 0 HZ3 LYS A 57 -21.807 15.140 10.267 1.00 3.12 H new ATOM 885 N VAL A 58 -19.675 10.030 7.753 1.00 1.51 N ATOM 886 CA VAL A 58 -19.396 8.692 7.212 1.00 1.63 C ATOM 887 C VAL A 58 -17.929 8.655 6.730 1.00 1.25 C ATOM 888 O VAL A 58 -17.310 9.696 6.515 1.00 1.17 O ATOM 889 CB VAL A 58 -20.407 8.397 6.064 1.00 1.85 C ATOM 890 CG1 VAL A 58 -20.127 7.105 5.281 1.00 2.50 C ATOM 891 CG2 VAL A 58 -21.853 8.315 6.594 1.00 2.62 C ATOM 0 H VAL A 58 -19.255 10.754 7.170 1.00 1.51 H new ATOM 0 HA VAL A 58 -19.519 7.917 7.969 1.00 1.63 H new ATOM 0 HB VAL A 58 -20.280 9.238 5.383 1.00 1.85 H new ATOM 0 HG11 VAL A 58 -20.880 6.981 4.503 1.00 2.50 H new ATOM 0 HG12 VAL A 58 -19.139 7.163 4.824 1.00 2.50 H new ATOM 0 HG13 VAL A 58 -20.163 6.253 5.960 1.00 2.50 H new ATOM 0 HG21 VAL A 58 -22.532 8.108 5.767 1.00 2.62 H new ATOM 0 HG22 VAL A 58 -21.925 7.516 7.332 1.00 2.62 H new ATOM 0 HG23 VAL A 58 -22.125 9.263 7.058 1.00 2.62 H new ATOM 901 N MET A 59 -17.345 7.466 6.567 1.00 1.30 N ATOM 902 CA MET A 59 -15.988 7.276 6.012 1.00 1.01 C ATOM 903 C MET A 59 -16.001 6.604 4.634 1.00 0.76 C ATOM 904 O MET A 59 -17.047 6.182 4.133 1.00 1.01 O ATOM 905 CB MET A 59 -15.099 6.514 7.002 1.00 1.26 C ATOM 906 CG MET A 59 -14.855 7.363 8.254 1.00 1.66 C ATOM 907 SD MET A 59 -13.780 6.566 9.466 1.00 2.28 S ATOM 908 CE MET A 59 -13.207 8.036 10.354 1.00 2.56 C ATOM 0 H MET A 59 -17.802 6.590 6.818 1.00 1.30 H new ATOM 0 HA MET A 59 -15.562 8.268 5.862 1.00 1.01 H new ATOM 0 HB2 MET A 59 -15.574 5.573 7.279 1.00 1.26 H new ATOM 0 HB3 MET A 59 -14.148 6.265 6.531 1.00 1.26 H new ATOM 0 HG2 MET A 59 -14.413 8.314 7.958 1.00 1.66 H new ATOM 0 HG3 MET A 59 -15.813 7.589 8.723 1.00 1.66 H new ATOM 0 HE1 MET A 59 -12.525 7.737 11.150 1.00 2.56 H new ATOM 0 HE2 MET A 59 -12.689 8.700 9.662 1.00 2.56 H new ATOM 0 HE3 MET A 59 -14.062 8.557 10.785 1.00 2.56 H new ATOM 918 N GLY A 60 -14.848 6.575 3.968 1.00 0.57 N ATOM 919 CA GLY A 60 -14.733 6.210 2.562 1.00 0.71 C ATOM 920 C GLY A 60 -13.382 5.650 2.140 1.00 0.57 C ATOM 921 O GLY A 60 -12.385 5.743 2.850 1.00 0.52 O ATOM 0 H GLY A 60 -13.954 6.809 4.400 1.00 0.57 H new ATOM 0 HA2 GLY A 60 -15.501 5.471 2.332 1.00 0.71 H new ATOM 0 HA3 GLY A 60 -14.947 7.091 1.957 1.00 0.71 H new ATOM 925 N MET A 61 -13.392 5.065 0.946 1.00 0.68 N ATOM 926 CA MET A 61 -12.286 4.437 0.236 1.00 0.56 C ATOM 927 C MET A 61 -12.686 4.355 -1.237 1.00 0.61 C ATOM 928 O MET A 61 -13.869 4.207 -1.551 1.00 0.79 O ATOM 929 CB MET A 61 -12.027 3.057 0.872 1.00 0.61 C ATOM 930 CG MET A 61 -11.106 2.127 0.070 1.00 0.66 C ATOM 931 SD MET A 61 -11.191 0.326 0.397 1.00 0.66 S ATOM 932 CE MET A 61 -11.939 0.198 2.043 1.00 1.30 C ATOM 0 H MET A 61 -14.254 5.015 0.403 1.00 0.68 H new ATOM 0 HA MET A 61 -11.356 5.001 0.305 1.00 0.56 H new ATOM 0 HB2 MET A 61 -11.593 3.207 1.861 1.00 0.61 H new ATOM 0 HB3 MET A 61 -12.984 2.557 1.017 1.00 0.61 H new ATOM 0 HG2 MET A 61 -11.316 2.283 -0.988 1.00 0.66 H new ATOM 0 HG3 MET A 61 -10.079 2.448 0.242 1.00 0.66 H new ATOM 0 HE1 MET A 61 -11.820 -0.818 2.419 1.00 1.30 H new ATOM 0 HE2 MET A 61 -11.448 0.896 2.721 1.00 1.30 H new ATOM 0 HE3 MET A 61 -13.000 0.440 1.980 1.00 1.30 H new ATOM 942 N ARG A 62 -11.699 4.490 -2.116 1.00 0.52 N ATOM 943 CA ARG A 62 -11.823 4.496 -3.575 1.00 0.59 C ATOM 944 C ARG A 62 -10.492 4.005 -4.169 1.00 0.46 C ATOM 945 O ARG A 62 -9.476 4.113 -3.477 1.00 0.36 O ATOM 946 CB ARG A 62 -12.099 5.932 -4.055 1.00 0.80 C ATOM 947 CG ARG A 62 -13.557 6.393 -3.916 1.00 1.35 C ATOM 948 CD ARG A 62 -13.813 7.694 -4.701 1.00 1.60 C ATOM 949 NE ARG A 62 -12.885 8.767 -4.299 1.00 2.56 N ATOM 950 CZ ARG A 62 -12.582 9.894 -4.928 1.00 3.50 C ATOM 951 NH1 ARG A 62 -13.250 10.329 -5.980 1.00 3.68 N ATOM 952 NH2 ARG A 62 -11.565 10.590 -4.482 1.00 4.44 N ATOM 0 H ARG A 62 -10.732 4.605 -1.814 1.00 0.52 H new ATOM 0 HA ARG A 62 -12.641 3.849 -3.892 1.00 0.59 H new ATOM 0 HB2 ARG A 62 -11.462 6.616 -3.493 1.00 0.80 H new ATOM 0 HB3 ARG A 62 -11.807 6.012 -5.102 1.00 0.80 H new ATOM 0 HG2 ARG A 62 -14.224 5.611 -4.278 1.00 1.35 H new ATOM 0 HG3 ARG A 62 -13.792 6.549 -2.863 1.00 1.35 H new ATOM 0 HD2 ARG A 62 -13.706 7.502 -5.769 1.00 1.60 H new ATOM 0 HD3 ARG A 62 -14.840 8.021 -4.538 1.00 1.60 H new ATOM 0 HE ARG A 62 -12.408 8.621 -3.409 1.00 2.56 H new ATOM 0 HH11 ARG A 62 -14.037 9.791 -6.342 1.00 3.68 H new ATOM 0 HH12 ARG A 62 -12.979 11.203 -6.431 1.00 3.68 H new ATOM 0 HH21 ARG A 62 -11.035 10.259 -3.675 1.00 4.44 H new ATOM 0 HH22 ARG A 62 -11.303 11.462 -4.941 1.00 4.44 H new ATOM 966 N PRO A 63 -10.458 3.486 -5.407 1.00 0.54 N ATOM 967 CA PRO A 63 -9.206 3.254 -6.100 1.00 0.54 C ATOM 968 C PRO A 63 -8.654 4.562 -6.672 1.00 0.56 C ATOM 969 O PRO A 63 -9.401 5.524 -6.861 1.00 0.63 O ATOM 970 CB PRO A 63 -9.541 2.235 -7.178 1.00 0.61 C ATOM 971 CG PRO A 63 -10.960 2.635 -7.579 1.00 0.72 C ATOM 972 CD PRO A 63 -11.579 3.091 -6.252 1.00 0.71 C ATOM 0 HA PRO A 63 -8.420 2.880 -5.443 1.00 0.54 H new ATOM 0 HB2 PRO A 63 -8.850 2.292 -8.019 1.00 0.61 H new ATOM 0 HB3 PRO A 63 -9.499 1.214 -6.799 1.00 0.61 H new ATOM 0 HG2 PRO A 63 -10.960 3.435 -8.320 1.00 0.72 H new ATOM 0 HG3 PRO A 63 -11.508 1.798 -8.013 1.00 0.72 H new ATOM 0 HD2 PRO A 63 -12.265 3.924 -6.406 1.00 0.71 H new ATOM 0 HD3 PRO A 63 -12.152 2.287 -5.791 1.00 0.71 H new ATOM 980 N VAL A 64 -7.350 4.571 -6.957 1.00 0.52 N ATOM 981 CA VAL A 64 -6.620 5.704 -7.558 1.00 0.51 C ATOM 982 C VAL A 64 -5.648 5.205 -8.646 1.00 0.50 C ATOM 983 O VAL A 64 -5.213 4.054 -8.582 1.00 0.51 O ATOM 984 CB VAL A 64 -5.889 6.557 -6.488 1.00 0.49 C ATOM 985 CG1 VAL A 64 -6.884 7.253 -5.552 1.00 0.60 C ATOM 986 CG2 VAL A 64 -4.850 5.781 -5.664 1.00 0.64 C ATOM 0 H VAL A 64 -6.749 3.768 -6.773 1.00 0.52 H new ATOM 0 HA VAL A 64 -7.353 6.358 -8.031 1.00 0.51 H new ATOM 0 HB VAL A 64 -5.337 7.305 -7.057 1.00 0.49 H new ATOM 0 HG11 VAL A 64 -6.339 7.842 -4.815 1.00 0.60 H new ATOM 0 HG12 VAL A 64 -7.532 7.909 -6.133 1.00 0.60 H new ATOM 0 HG13 VAL A 64 -7.489 6.503 -5.042 1.00 0.60 H new ATOM 0 HG21 VAL A 64 -4.386 6.451 -4.940 1.00 0.64 H new ATOM 0 HG22 VAL A 64 -5.341 4.962 -5.138 1.00 0.64 H new ATOM 0 HG23 VAL A 64 -4.085 5.379 -6.328 1.00 0.64 H new ATOM 996 N PRO A 65 -5.308 6.029 -9.665 1.00 0.53 N ATOM 997 CA PRO A 65 -4.552 5.577 -10.832 1.00 0.57 C ATOM 998 C PRO A 65 -3.063 5.393 -10.535 1.00 0.49 C ATOM 999 O PRO A 65 -2.410 4.623 -11.230 1.00 0.51 O ATOM 1000 CB PRO A 65 -4.795 6.648 -11.900 1.00 0.65 C ATOM 1001 CG PRO A 65 -4.971 7.924 -11.084 1.00 0.62 C ATOM 1002 CD PRO A 65 -5.674 7.430 -9.820 1.00 0.55 C ATOM 0 HA PRO A 65 -4.883 4.591 -11.160 1.00 0.57 H new ATOM 0 HB2 PRO A 65 -3.955 6.725 -12.591 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -5.680 6.427 -12.497 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -4.014 8.393 -10.856 1.00 0.62 H new ATOM 0 HG3 PRO A 65 -5.570 8.664 -11.616 1.00 0.62 H new ATOM 0 HD2 PRO A 65 -5.364 8.011 -8.951 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -6.755 7.541 -9.908 1.00 0.55 H new ATOM 1010 N PHE A 66 -2.548 6.090 -9.514 1.00 0.43 N ATOM 1011 CA PHE A 66 -1.162 6.048 -9.039 1.00 0.38 C ATOM 1012 C PHE A 66 -0.964 6.931 -7.796 1.00 0.39 C ATOM 1013 O PHE A 66 -1.784 7.802 -7.501 1.00 0.42 O ATOM 1014 CB PHE A 66 -0.174 6.474 -10.142 1.00 0.43 C ATOM 1015 CG PHE A 66 -0.350 7.902 -10.593 1.00 0.52 C ATOM 1016 CD1 PHE A 66 0.304 8.937 -9.907 1.00 1.90 C ATOM 1017 CD2 PHE A 66 -1.220 8.193 -11.654 1.00 1.47 C ATOM 1018 CE1 PHE A 66 0.068 10.276 -10.253 1.00 1.99 C ATOM 1019 CE2 PHE A 66 -1.438 9.534 -12.027 1.00 1.45 C ATOM 1020 CZ PHE A 66 -0.800 10.576 -11.321 1.00 0.71 C ATOM 0 H PHE A 66 -3.121 6.734 -8.968 1.00 0.43 H new ATOM 0 HA PHE A 66 -0.955 5.013 -8.767 1.00 0.38 H new ATOM 0 HB2 PHE A 66 0.844 6.340 -9.777 1.00 0.43 H new ATOM 0 HB3 PHE A 66 -0.294 5.813 -11.001 1.00 0.43 H new ATOM 0 HD1 PHE A 66 0.992 8.702 -9.109 1.00 1.90 H new ATOM 0 HD2 PHE A 66 -1.720 7.394 -12.182 1.00 1.47 H new ATOM 0 HE1 PHE A 66 0.549 11.072 -9.704 1.00 1.99 H new ATOM 0 HE2 PHE A 66 -2.094 9.765 -12.854 1.00 1.45 H new ATOM 0 HZ PHE A 66 -0.977 11.604 -11.600 1.00 0.71 H new ATOM 1030 N LEU A 67 0.184 6.750 -7.131 1.00 0.41 N ATOM 1031 CA LEU A 67 0.779 7.677 -6.161 1.00 0.49 C ATOM 1032 C LEU A 67 2.086 8.272 -6.700 1.00 0.59 C ATOM 1033 O LEU A 67 2.797 7.621 -7.461 1.00 0.63 O ATOM 1034 CB LEU A 67 1.105 6.957 -4.838 1.00 0.55 C ATOM 1035 CG LEU A 67 -0.002 6.101 -4.201 1.00 0.53 C ATOM 1036 CD1 LEU A 67 0.460 5.688 -2.801 1.00 0.66 C ATOM 1037 CD2 LEU A 67 -1.346 6.818 -4.091 1.00 0.53 C ATOM 0 H LEU A 67 0.751 5.912 -7.261 1.00 0.41 H new ATOM 0 HA LEU A 67 0.048 8.467 -5.990 1.00 0.49 H new ATOM 0 HB2 LEU A 67 1.969 6.315 -5.009 1.00 0.55 H new ATOM 0 HB3 LEU A 67 1.407 7.711 -4.111 1.00 0.55 H new ATOM 0 HG LEU A 67 -0.163 5.241 -4.851 1.00 0.53 H new ATOM 0 HD11 LEU A 67 -0.311 5.079 -2.329 1.00 0.66 H new ATOM 0 HD12 LEU A 67 1.382 5.112 -2.877 1.00 0.66 H new ATOM 0 HD13 LEU A 67 0.638 6.579 -2.199 1.00 0.66 H new ATOM 0 HD21 LEU A 67 -2.077 6.152 -3.632 1.00 0.53 H new ATOM 0 HD22 LEU A 67 -1.233 7.711 -3.476 1.00 0.53 H new ATOM 0 HD23 LEU A 67 -1.689 7.103 -5.086 1.00 0.53 H new ATOM 1049 N GLU A 68 2.434 9.479 -6.259 1.00 0.67 N ATOM 1050 CA GLU A 68 3.680 10.158 -6.617 1.00 0.80 C ATOM 1051 C GLU A 68 4.671 10.077 -5.451 1.00 1.04 C ATOM 1052 O GLU A 68 4.239 10.067 -4.297 1.00 1.33 O ATOM 1053 CB GLU A 68 3.363 11.631 -6.933 1.00 1.12 C ATOM 1054 CG GLU A 68 4.531 12.423 -7.542 1.00 1.14 C ATOM 1055 CD GLU A 68 4.761 12.121 -9.030 1.00 1.10 C ATOM 1056 OE1 GLU A 68 4.282 11.074 -9.522 1.00 1.80 O ATOM 1057 OE2 GLU A 68 5.377 12.960 -9.722 1.00 1.71 O ATOM 0 H GLU A 68 1.846 10.025 -5.629 1.00 0.67 H new ATOM 0 HA GLU A 68 4.127 9.679 -7.488 1.00 0.80 H new ATOM 0 HB2 GLU A 68 2.519 11.667 -7.622 1.00 1.12 H new ATOM 0 HB3 GLU A 68 3.046 12.125 -6.015 1.00 1.12 H new ATOM 0 HG2 GLU A 68 4.340 13.489 -7.420 1.00 1.14 H new ATOM 0 HG3 GLU A 68 5.442 12.197 -6.988 1.00 1.14 H new ATOM 1064 N VAL A 69 5.980 10.094 -5.729 1.00 1.00 N ATOM 1065 CA VAL A 69 7.011 10.414 -4.729 1.00 1.16 C ATOM 1066 C VAL A 69 8.114 11.320 -5.316 1.00 1.10 C ATOM 1067 O VAL A 69 8.712 10.959 -6.332 1.00 0.99 O ATOM 1068 CB VAL A 69 7.656 9.140 -4.119 1.00 1.23 C ATOM 1069 CG1 VAL A 69 8.505 9.484 -2.884 1.00 1.40 C ATOM 1070 CG2 VAL A 69 6.646 8.061 -3.699 1.00 1.42 C ATOM 0 H VAL A 69 6.357 9.886 -6.654 1.00 1.00 H new ATOM 0 HA VAL A 69 6.498 10.953 -3.932 1.00 1.16 H new ATOM 0 HB VAL A 69 8.270 8.737 -4.925 1.00 1.23 H new ATOM 0 HG11 VAL A 69 8.944 8.572 -2.479 1.00 1.40 H new ATOM 0 HG12 VAL A 69 9.300 10.173 -3.169 1.00 1.40 H new ATOM 0 HG13 VAL A 69 7.874 9.951 -2.127 1.00 1.40 H new ATOM 0 HG21 VAL A 69 7.179 7.206 -3.283 1.00 1.42 H new ATOM 0 HG22 VAL A 69 5.970 8.468 -2.947 1.00 1.42 H new ATOM 0 HG23 VAL A 69 6.071 7.743 -4.569 1.00 1.42 H new ATOM 1080 N PRO A 70 8.427 12.474 -4.685 1.00 1.22 N ATOM 1081 CA PRO A 70 9.454 13.410 -5.151 1.00 1.19 C ATOM 1082 C PRO A 70 10.880 12.881 -4.890 1.00 1.11 C ATOM 1083 O PRO A 70 11.050 12.026 -4.023 1.00 1.16 O ATOM 1084 CB PRO A 70 9.188 14.707 -4.379 1.00 1.38 C ATOM 1085 CG PRO A 70 8.622 14.208 -3.051 1.00 1.53 C ATOM 1086 CD PRO A 70 7.797 12.997 -3.477 1.00 1.46 C ATOM 0 HA PRO A 70 9.400 13.557 -6.230 1.00 1.19 H new ATOM 0 HB2 PRO A 70 10.100 15.286 -4.236 1.00 1.38 H new ATOM 0 HB3 PRO A 70 8.481 15.350 -4.903 1.00 1.38 H new ATOM 0 HG2 PRO A 70 9.411 13.935 -2.351 1.00 1.53 H new ATOM 0 HG3 PRO A 70 8.009 14.965 -2.561 1.00 1.53 H new ATOM 0 HD2 PRO A 70 7.780 12.243 -2.690 1.00 1.46 H new ATOM 0 HD3 PRO A 70 6.762 13.280 -3.670 1.00 1.46 H new ATOM 1094 N PRO A 71 11.903 13.381 -5.616 1.00 1.03 N ATOM 1095 CA PRO A 71 13.276 12.881 -5.550 1.00 0.99 C ATOM 1096 C PRO A 71 13.920 13.022 -4.171 1.00 1.24 C ATOM 1097 O PRO A 71 13.708 14.014 -3.477 1.00 1.42 O ATOM 1098 CB PRO A 71 14.051 13.634 -6.628 1.00 0.94 C ATOM 1099 CG PRO A 71 13.224 14.886 -6.900 1.00 1.01 C ATOM 1100 CD PRO A 71 11.798 14.416 -6.633 1.00 1.05 C ATOM 0 HA PRO A 71 13.287 11.805 -5.725 1.00 0.99 H new ATOM 0 HB2 PRO A 71 15.055 13.889 -6.288 1.00 0.94 H new ATOM 0 HB3 PRO A 71 14.163 13.031 -7.529 1.00 0.94 H new ATOM 0 HG2 PRO A 71 13.508 15.708 -6.244 1.00 1.01 H new ATOM 0 HG3 PRO A 71 13.348 15.238 -7.924 1.00 1.01 H new ATOM 0 HD2 PRO A 71 11.173 15.240 -6.289 1.00 1.05 H new ATOM 0 HD3 PRO A 71 11.339 14.026 -7.541 1.00 1.05 H new ATOM 1108 N LYS A 72 14.689 11.994 -3.779 1.00 1.34 N ATOM 1109 CA LYS A 72 15.399 11.851 -2.492 1.00 1.67 C ATOM 1110 C LYS A 72 14.473 11.701 -1.268 1.00 1.86 C ATOM 1111 O LYS A 72 14.939 11.388 -0.171 1.00 2.31 O ATOM 1112 CB LYS A 72 16.421 12.990 -2.291 1.00 1.78 C ATOM 1113 CG LYS A 72 17.339 13.237 -3.499 1.00 1.73 C ATOM 1114 CD LYS A 72 18.182 12.017 -3.897 1.00 1.77 C ATOM 1115 CE LYS A 72 18.877 12.302 -5.227 1.00 2.05 C ATOM 1116 NZ LYS A 72 19.618 11.128 -5.745 1.00 2.46 N ATOM 0 H LYS A 72 14.843 11.190 -4.387 1.00 1.34 H new ATOM 0 HA LYS A 72 15.936 10.905 -2.559 1.00 1.67 H new ATOM 0 HB2 LYS A 72 15.882 13.910 -2.065 1.00 1.78 H new ATOM 0 HB3 LYS A 72 17.038 12.760 -1.422 1.00 1.78 H new ATOM 0 HG2 LYS A 72 16.730 13.539 -4.351 1.00 1.73 H new ATOM 0 HG3 LYS A 72 18.006 14.069 -3.273 1.00 1.73 H new ATOM 0 HD2 LYS A 72 18.921 11.803 -3.125 1.00 1.77 H new ATOM 0 HD3 LYS A 72 17.548 11.135 -3.985 1.00 1.77 H new ATOM 0 HE2 LYS A 72 18.134 12.611 -5.962 1.00 2.05 H new ATOM 0 HE3 LYS A 72 19.567 13.136 -5.101 1.00 2.05 H new ATOM 0 HZ1 LYS A 72 19.490 11.064 -6.775 1.00 2.46 H new ATOM 0 HZ2 LYS A 72 20.630 11.232 -5.528 1.00 2.46 H new ATOM 0 HZ3 LYS A 72 19.255 10.263 -5.296 1.00 2.46 H new ATOM 1130 N GLY A 73 13.166 11.918 -1.443 1.00 1.60 N ATOM 1131 CA GLY A 73 12.163 11.890 -0.382 1.00 1.72 C ATOM 1132 C GLY A 73 11.570 10.504 -0.152 1.00 1.51 C ATOM 1133 O GLY A 73 11.175 9.815 -1.090 1.00 1.15 O ATOM 0 H GLY A 73 12.767 12.125 -2.359 1.00 1.60 H new ATOM 0 HA2 GLY A 73 12.614 12.243 0.545 1.00 1.72 H new ATOM 0 HA3 GLY A 73 11.361 12.585 -0.631 1.00 1.72 H new ATOM 1137 N ARG A 74 11.439 10.144 1.121 1.00 2.16 N ATOM 1138 CA ARG A 74 10.561 9.125 1.652 1.00 1.87 C ATOM 1139 C ARG A 74 9.184 9.723 1.930 1.00 1.89 C ATOM 1140 O ARG A 74 9.091 10.807 2.505 1.00 2.52 O ATOM 1141 CB ARG A 74 11.247 8.664 2.934 1.00 2.33 C ATOM 1142 CG ARG A 74 10.539 7.569 3.704 1.00 2.71 C ATOM 1143 CD ARG A 74 9.550 8.055 4.780 1.00 1.78 C ATOM 1144 NE ARG A 74 9.947 7.621 6.134 1.00 2.54 N ATOM 1145 CZ ARG A 74 9.751 8.271 7.276 1.00 2.77 C ATOM 1146 NH1 ARG A 74 9.016 9.362 7.342 1.00 3.23 N ATOM 1147 NH2 ARG A 74 10.277 7.800 8.382 1.00 3.73 N ATOM 0 H ARG A 74 11.986 10.593 1.855 1.00 2.16 H new ATOM 0 HA ARG A 74 10.399 8.294 0.966 1.00 1.87 H new ATOM 0 HB2 ARG A 74 12.249 8.316 2.682 1.00 2.33 H new ATOM 0 HB3 ARG A 74 11.365 9.526 3.591 1.00 2.33 H new ATOM 0 HG2 ARG A 74 10.000 6.940 2.996 1.00 2.71 H new ATOM 0 HG3 ARG A 74 11.290 6.940 4.182 1.00 2.71 H new ATOM 0 HD2 ARG A 74 9.489 9.143 4.751 1.00 1.78 H new ATOM 0 HD3 ARG A 74 8.554 7.674 4.555 1.00 1.78 H new ATOM 0 HE ARG A 74 10.425 6.722 6.200 1.00 2.54 H new ATOM 0 HH11 ARG A 74 8.577 9.733 6.499 1.00 3.23 H new ATOM 0 HH12 ARG A 74 8.886 9.836 8.236 1.00 3.23 H new ATOM 0 HH21 ARG A 74 10.830 6.943 8.359 1.00 3.73 H new ATOM 0 HH22 ARG A 74 10.133 8.291 9.265 1.00 3.73 H new ATOM 1161 N VAL A 75 8.142 9.008 1.540 1.00 1.58 N ATOM 1162 CA VAL A 75 6.725 9.370 1.740 1.00 2.12 C ATOM 1163 C VAL A 75 5.905 8.089 1.884 1.00 1.60 C ATOM 1164 O VAL A 75 5.945 7.213 1.028 1.00 1.48 O ATOM 1165 CB VAL A 75 6.139 10.225 0.585 1.00 2.87 C ATOM 1166 CG1 VAL A 75 4.689 10.639 0.905 1.00 3.76 C ATOM 1167 CG2 VAL A 75 6.939 11.507 0.284 1.00 3.34 C ATOM 0 H VAL A 75 8.252 8.119 1.053 1.00 1.58 H new ATOM 0 HA VAL A 75 6.673 9.981 2.641 1.00 2.12 H new ATOM 0 HB VAL A 75 6.190 9.585 -0.296 1.00 2.87 H new ATOM 0 HG11 VAL A 75 4.292 11.238 0.085 1.00 3.76 H new ATOM 0 HG12 VAL A 75 4.076 9.747 1.032 1.00 3.76 H new ATOM 0 HG13 VAL A 75 4.672 11.225 1.824 1.00 3.76 H new ATOM 0 HG21 VAL A 75 6.465 12.048 -0.535 1.00 3.34 H new ATOM 0 HG22 VAL A 75 6.961 12.139 1.172 1.00 3.34 H new ATOM 0 HG23 VAL A 75 7.958 11.242 0.002 1.00 3.34 H new ATOM 1177 N GLU A 76 5.171 7.967 2.986 1.00 1.56 N ATOM 1178 CA GLU A 76 4.490 6.730 3.368 1.00 1.13 C ATOM 1179 C GLU A 76 3.076 6.654 2.771 1.00 1.00 C ATOM 1180 O GLU A 76 2.476 7.698 2.514 1.00 1.21 O ATOM 1181 CB GLU A 76 4.446 6.568 4.903 1.00 1.27 C ATOM 1182 CG GLU A 76 5.627 7.157 5.707 1.00 1.75 C ATOM 1183 CD GLU A 76 5.686 8.692 5.703 1.00 1.99 C ATOM 1184 OE1 GLU A 76 4.614 9.327 5.537 1.00 2.45 O ATOM 1185 OE2 GLU A 76 6.812 9.231 5.691 1.00 3.25 O ATOM 0 H GLU A 76 5.030 8.731 3.647 1.00 1.56 H new ATOM 0 HA GLU A 76 5.068 5.903 2.956 1.00 1.13 H new ATOM 0 HB2 GLU A 76 3.527 7.028 5.266 1.00 1.27 H new ATOM 0 HB3 GLU A 76 4.380 5.504 5.129 1.00 1.27 H new ATOM 0 HG2 GLU A 76 5.560 6.810 6.738 1.00 1.75 H new ATOM 0 HG3 GLU A 76 6.560 6.767 5.300 1.00 1.75 H new ATOM 1192 N LEU A 77 2.493 5.453 2.616 1.00 0.84 N ATOM 1193 CA LEU A 77 1.092 5.308 2.171 1.00 0.89 C ATOM 1194 C LEU A 77 0.066 5.849 3.191 1.00 1.48 C ATOM 1195 O LEU A 77 -0.955 6.387 2.792 1.00 3.19 O ATOM 1196 CB LEU A 77 0.795 3.830 1.806 1.00 0.83 C ATOM 1197 CG LEU A 77 0.832 3.564 0.288 1.00 0.68 C ATOM 1198 CD1 LEU A 77 2.243 3.415 -0.309 1.00 0.67 C ATOM 1199 CD2 LEU A 77 0.012 2.320 -0.068 1.00 1.02 C ATOM 0 H LEU A 77 2.968 4.568 2.792 1.00 0.84 H new ATOM 0 HA LEU A 77 0.978 5.926 1.281 1.00 0.89 H new ATOM 0 HB2 LEU A 77 1.523 3.186 2.300 1.00 0.83 H new ATOM 0 HB3 LEU A 77 -0.186 3.556 2.193 1.00 0.83 H new ATOM 0 HG LEU A 77 0.397 4.460 -0.155 1.00 0.68 H new ATOM 0 HD11 LEU A 77 2.167 3.230 -1.381 1.00 0.67 H new ATOM 0 HD12 LEU A 77 2.809 4.331 -0.138 1.00 0.67 H new ATOM 0 HD13 LEU A 77 2.753 2.578 0.168 1.00 0.67 H new ATOM 0 HD21 LEU A 77 0.053 2.153 -1.144 1.00 1.02 H new ATOM 0 HD22 LEU A 77 0.423 1.453 0.450 1.00 1.02 H new ATOM 0 HD23 LEU A 77 -1.024 2.468 0.237 1.00 1.02 H new ATOM 1211 N LYS A 78 0.373 5.742 4.490 1.00 1.02 N ATOM 1212 CA LYS A 78 -0.389 6.160 5.705 1.00 1.09 C ATOM 1213 C LYS A 78 -1.238 4.986 6.239 1.00 1.03 C ATOM 1214 O LYS A 78 -1.896 4.333 5.437 1.00 1.23 O ATOM 1215 CB LYS A 78 -1.350 7.372 5.521 1.00 1.38 C ATOM 1216 CG LYS A 78 -0.778 8.788 5.312 1.00 1.48 C ATOM 1217 CD LYS A 78 0.554 8.852 4.549 1.00 2.16 C ATOM 1218 CE LYS A 78 1.191 10.241 4.434 1.00 2.10 C ATOM 1219 NZ LYS A 78 2.571 10.131 3.893 1.00 3.05 N ATOM 0 H LYS A 78 1.258 5.314 4.761 1.00 1.02 H new ATOM 0 HA LYS A 78 0.391 6.471 6.400 1.00 1.09 H new ATOM 0 HB2 LYS A 78 -1.989 7.152 4.666 1.00 1.38 H new ATOM 0 HB3 LYS A 78 -1.995 7.410 6.399 1.00 1.38 H new ATOM 0 HG2 LYS A 78 -1.515 9.384 4.774 1.00 1.48 H new ATOM 0 HG3 LYS A 78 -0.642 9.255 6.288 1.00 1.48 H new ATOM 0 HD2 LYS A 78 1.264 8.187 5.040 1.00 2.16 H new ATOM 0 HD3 LYS A 78 0.394 8.462 3.544 1.00 2.16 H new ATOM 0 HE2 LYS A 78 0.587 10.873 3.783 1.00 2.10 H new ATOM 0 HE3 LYS A 78 1.214 10.721 5.413 1.00 2.10 H new ATOM 0 HZ1 LYS A 78 2.816 11.005 3.386 1.00 3.05 H new ATOM 0 HZ2 LYS A 78 3.240 9.986 4.676 1.00 3.05 H new ATOM 0 HZ3 LYS A 78 2.624 9.325 3.238 1.00 3.05 H new ATOM 1233 N PRO A 79 -1.365 4.775 7.567 1.00 1.30 N ATOM 1234 CA PRO A 79 -2.185 3.696 8.141 1.00 1.56 C ATOM 1235 C PRO A 79 -3.710 3.874 7.951 1.00 1.46 C ATOM 1236 O PRO A 79 -4.477 3.008 8.384 1.00 2.55 O ATOM 1237 CB PRO A 79 -1.794 3.653 9.624 1.00 1.96 C ATOM 1238 CG PRO A 79 -1.413 5.100 9.927 1.00 1.89 C ATOM 1239 CD PRO A 79 -0.738 5.548 8.631 1.00 1.80 C ATOM 0 HA PRO A 79 -1.986 2.758 7.622 1.00 1.56 H new ATOM 0 HB2 PRO A 79 -2.621 3.315 10.249 1.00 1.96 H new ATOM 0 HB3 PRO A 79 -0.962 2.972 9.801 1.00 1.96 H new ATOM 0 HG2 PRO A 79 -2.287 5.709 10.160 1.00 1.89 H new ATOM 0 HG3 PRO A 79 -0.739 5.171 10.780 1.00 1.89 H new ATOM 0 HD2 PRO A 79 -0.874 6.617 8.469 1.00 1.80 H new ATOM 0 HD3 PRO A 79 0.336 5.365 8.666 1.00 1.80 H new ATOM 1247 N GLY A 80 -4.152 4.974 7.322 1.00 0.96 N ATOM 1248 CA GLY A 80 -5.560 5.285 7.064 1.00 1.32 C ATOM 1249 C GLY A 80 -5.836 6.303 5.949 1.00 1.15 C ATOM 1250 O GLY A 80 -6.919 6.876 5.963 1.00 2.02 O ATOM 0 H GLY A 80 -3.518 5.691 6.970 1.00 0.96 H new ATOM 0 HA2 GLY A 80 -6.076 4.357 6.816 1.00 1.32 H new ATOM 0 HA3 GLY A 80 -6.003 5.659 7.987 1.00 1.32 H new ATOM 1254 N GLY A 81 -4.898 6.558 5.015 1.00 0.70 N ATOM 1255 CA GLY A 81 -5.182 7.401 3.827 1.00 0.72 C ATOM 1256 C GLY A 81 -4.815 6.822 2.463 1.00 0.92 C ATOM 1257 O GLY A 81 -5.483 7.157 1.495 1.00 2.07 O ATOM 0 H GLY A 81 -3.945 6.198 5.055 1.00 0.70 H new ATOM 0 HA2 GLY A 81 -6.247 7.631 3.822 1.00 0.72 H new ATOM 0 HA3 GLY A 81 -4.652 8.346 3.948 1.00 0.72 H new ATOM 1261 N TYR A 82 -3.827 5.936 2.353 1.00 0.64 N ATOM 1262 CA TYR A 82 -3.677 5.033 1.207 1.00 0.67 C ATOM 1263 C TYR A 82 -3.290 3.625 1.653 1.00 0.75 C ATOM 1264 O TYR A 82 -2.655 3.422 2.687 1.00 0.88 O ATOM 1265 CB TYR A 82 -2.663 5.533 0.167 1.00 0.74 C ATOM 1266 CG TYR A 82 -3.039 6.832 -0.501 1.00 0.69 C ATOM 1267 CD1 TYR A 82 -3.847 6.802 -1.650 1.00 2.02 C ATOM 1268 CD2 TYR A 82 -2.613 8.063 0.025 1.00 1.98 C ATOM 1269 CE1 TYR A 82 -4.221 7.994 -2.282 1.00 1.95 C ATOM 1270 CE2 TYR A 82 -2.994 9.265 -0.598 1.00 2.06 C ATOM 1271 CZ TYR A 82 -3.797 9.236 -1.760 1.00 0.71 C ATOM 1272 OH TYR A 82 -4.162 10.398 -2.369 1.00 0.78 O ATOM 0 H TYR A 82 -3.101 5.822 3.060 1.00 0.64 H new ATOM 0 HA TYR A 82 -4.656 5.010 0.729 1.00 0.67 H new ATOM 0 HB2 TYR A 82 -1.695 5.656 0.652 1.00 0.74 H new ATOM 0 HB3 TYR A 82 -2.540 4.768 -0.599 1.00 0.74 H new ATOM 0 HD1 TYR A 82 -4.181 5.855 -2.048 1.00 2.02 H new ATOM 0 HD2 TYR A 82 -1.992 8.086 0.909 1.00 1.98 H new ATOM 0 HE1 TYR A 82 -4.835 7.964 -3.170 1.00 1.95 H new ATOM 0 HE2 TYR A 82 -2.672 10.211 -0.188 1.00 2.06 H new ATOM 0 HH TYR A 82 -3.785 11.157 -1.878 1.00 0.78 H new ATOM 1282 N HIS A 83 -3.681 2.636 0.861 1.00 0.69 N ATOM 1283 CA HIS A 83 -3.320 1.236 1.085 1.00 0.68 C ATOM 1284 C HIS A 83 -3.403 0.442 -0.220 1.00 0.57 C ATOM 1285 O HIS A 83 -4.257 0.717 -1.069 1.00 0.58 O ATOM 1286 CB HIS A 83 -4.188 0.624 2.194 1.00 0.74 C ATOM 1287 CG HIS A 83 -5.659 0.577 1.881 1.00 0.70 C ATOM 1288 ND1 HIS A 83 -6.554 1.613 2.045 1.00 0.74 N ATOM 1289 CD2 HIS A 83 -6.330 -0.448 1.269 1.00 0.64 C ATOM 1290 CE1 HIS A 83 -7.719 1.235 1.510 1.00 0.67 C ATOM 1291 NE2 HIS A 83 -7.646 -0.029 1.067 1.00 0.64 N ATOM 0 H HIS A 83 -4.263 2.781 0.036 1.00 0.69 H new ATOM 0 HA HIS A 83 -2.285 1.189 1.424 1.00 0.68 H new ATOM 0 HB2 HIS A 83 -3.839 -0.389 2.393 1.00 0.74 H new ATOM 0 HB3 HIS A 83 -4.042 1.197 3.110 1.00 0.74 H new ATOM 0 HD1 HIS A 83 -6.361 2.508 2.494 1.00 0.74 H new ATOM 0 HD2 HIS A 83 -5.916 -1.407 0.993 1.00 0.64 H new ATOM 0 HE1 HIS A 83 -8.597 1.860 1.444 1.00 0.67 H new ATOM 1299 N PHE A 84 -2.549 -0.572 -0.353 1.00 0.47 N ATOM 1300 CA PHE A 84 -2.722 -1.590 -1.386 1.00 0.41 C ATOM 1301 C PHE A 84 -3.739 -2.621 -0.896 1.00 0.43 C ATOM 1302 O PHE A 84 -3.486 -3.338 0.069 1.00 0.73 O ATOM 1303 CB PHE A 84 -1.387 -2.265 -1.701 1.00 0.44 C ATOM 1304 CG PHE A 84 -0.502 -1.424 -2.586 1.00 0.44 C ATOM 1305 CD1 PHE A 84 -0.775 -1.358 -3.963 1.00 1.82 C ATOM 1306 CD2 PHE A 84 0.555 -0.676 -2.036 1.00 2.06 C ATOM 1307 CE1 PHE A 84 0.019 -0.559 -4.795 1.00 1.86 C ATOM 1308 CE2 PHE A 84 1.340 0.140 -2.866 1.00 2.06 C ATOM 1309 CZ PHE A 84 1.071 0.194 -4.245 1.00 0.59 C ATOM 0 H PHE A 84 -1.732 -0.710 0.241 1.00 0.47 H new ATOM 0 HA PHE A 84 -3.086 -1.123 -2.301 1.00 0.41 H new ATOM 0 HB2 PHE A 84 -0.864 -2.478 -0.769 1.00 0.44 H new ATOM 0 HB3 PHE A 84 -1.575 -3.222 -2.187 1.00 0.44 H new ATOM 0 HD1 PHE A 84 -1.596 -1.923 -4.379 1.00 1.82 H new ATOM 0 HD2 PHE A 84 0.762 -0.729 -0.977 1.00 2.06 H new ATOM 0 HE1 PHE A 84 -0.176 -0.521 -5.857 1.00 1.86 H new ATOM 0 HE2 PHE A 84 2.147 0.723 -2.447 1.00 2.06 H new ATOM 0 HZ PHE A 84 1.676 0.818 -4.886 1.00 0.59 H new ATOM 1319 N MET A 85 -4.866 -2.730 -1.589 1.00 0.37 N ATOM 1320 CA MET A 85 -5.888 -3.766 -1.439 1.00 0.40 C ATOM 1321 C MET A 85 -5.400 -5.039 -2.138 1.00 0.43 C ATOM 1322 O MET A 85 -5.341 -5.093 -3.364 1.00 0.59 O ATOM 1323 CB MET A 85 -7.204 -3.268 -2.035 1.00 0.50 C ATOM 1324 CG MET A 85 -8.405 -4.107 -1.562 1.00 0.73 C ATOM 1325 SD MET A 85 -9.384 -3.371 -0.204 1.00 1.09 S ATOM 1326 CE MET A 85 -8.782 -4.362 1.192 1.00 0.67 C ATOM 0 H MET A 85 -5.108 -2.057 -2.316 1.00 0.37 H new ATOM 0 HA MET A 85 -6.061 -3.991 -0.387 1.00 0.40 H new ATOM 0 HB2 MET A 85 -7.357 -2.226 -1.755 1.00 0.50 H new ATOM 0 HB3 MET A 85 -7.145 -3.301 -3.123 1.00 0.50 H new ATOM 0 HG2 MET A 85 -9.065 -4.279 -2.412 1.00 0.73 H new ATOM 0 HG3 MET A 85 -8.041 -5.082 -1.239 1.00 0.73 H new ATOM 0 HE1 MET A 85 -9.400 -4.169 2.069 1.00 0.67 H new ATOM 0 HE2 MET A 85 -8.835 -5.420 0.937 1.00 0.67 H new ATOM 0 HE3 MET A 85 -7.749 -4.093 1.410 1.00 0.67 H new ATOM 1336 N LEU A 86 -5.027 -6.052 -1.360 1.00 0.42 N ATOM 1337 CA LEU A 86 -4.607 -7.374 -1.830 1.00 0.46 C ATOM 1338 C LEU A 86 -5.840 -8.264 -1.989 1.00 0.59 C ATOM 1339 O LEU A 86 -6.713 -8.249 -1.119 1.00 0.99 O ATOM 1340 CB LEU A 86 -3.664 -8.002 -0.786 1.00 0.54 C ATOM 1341 CG LEU A 86 -2.181 -7.581 -0.835 1.00 0.63 C ATOM 1342 CD1 LEU A 86 -1.947 -6.087 -0.578 1.00 0.92 C ATOM 1343 CD2 LEU A 86 -1.417 -8.378 0.235 1.00 1.31 C ATOM 0 H LEU A 86 -5.008 -5.973 -0.343 1.00 0.42 H new ATOM 0 HA LEU A 86 -4.093 -7.281 -2.786 1.00 0.46 H new ATOM 0 HB2 LEU A 86 -4.050 -7.764 0.205 1.00 0.54 H new ATOM 0 HB3 LEU A 86 -3.712 -9.085 -0.895 1.00 0.54 H new ATOM 0 HG LEU A 86 -1.829 -7.787 -1.846 1.00 0.63 H new ATOM 0 HD11 LEU A 86 -0.880 -5.872 -0.630 1.00 0.92 H new ATOM 0 HD12 LEU A 86 -2.472 -5.501 -1.333 1.00 0.92 H new ATOM 0 HD13 LEU A 86 -2.323 -5.825 0.411 1.00 0.92 H new ATOM 0 HD21 LEU A 86 -0.365 -8.095 0.217 1.00 1.31 H new ATOM 0 HD22 LEU A 86 -1.835 -8.160 1.218 1.00 1.31 H new ATOM 0 HD23 LEU A 86 -1.509 -9.444 0.029 1.00 1.31 H new ATOM 1355 N LEU A 87 -5.901 -9.077 -3.049 1.00 0.48 N ATOM 1356 CA LEU A 87 -7.003 -10.011 -3.312 1.00 0.49 C ATOM 1357 C LEU A 87 -6.501 -11.408 -3.699 1.00 0.50 C ATOM 1358 O LEU A 87 -5.589 -11.563 -4.512 1.00 0.59 O ATOM 1359 CB LEU A 87 -7.935 -9.470 -4.416 1.00 0.65 C ATOM 1360 CG LEU A 87 -8.641 -8.135 -4.081 1.00 0.79 C ATOM 1361 CD1 LEU A 87 -7.856 -6.933 -4.629 1.00 2.16 C ATOM 1362 CD2 LEU A 87 -10.055 -8.117 -4.673 1.00 1.98 C ATOM 0 H LEU A 87 -5.172 -9.105 -3.762 1.00 0.48 H new ATOM 0 HA LEU A 87 -7.562 -10.101 -2.381 1.00 0.49 H new ATOM 0 HB2 LEU A 87 -7.353 -9.337 -5.328 1.00 0.65 H new ATOM 0 HB3 LEU A 87 -8.695 -10.222 -4.629 1.00 0.65 H new ATOM 0 HG LEU A 87 -8.692 -8.057 -2.995 1.00 0.79 H new ATOM 0 HD11 LEU A 87 -8.379 -6.011 -4.376 1.00 2.16 H new ATOM 0 HD12 LEU A 87 -6.860 -6.917 -4.188 1.00 2.16 H new ATOM 0 HD13 LEU A 87 -7.772 -7.017 -5.712 1.00 2.16 H new ATOM 0 HD21 LEU A 87 -10.540 -7.172 -4.429 1.00 1.98 H new ATOM 0 HD22 LEU A 87 -9.997 -8.227 -5.756 1.00 1.98 H new ATOM 0 HD23 LEU A 87 -10.635 -8.940 -4.255 1.00 1.98 H new ATOM 1374 N GLY A 88 -7.150 -12.439 -3.158 1.00 0.52 N ATOM 1375 CA GLY A 88 -6.921 -13.849 -3.496 1.00 0.61 C ATOM 1376 C GLY A 88 -5.702 -14.442 -2.797 1.00 0.77 C ATOM 1377 O GLY A 88 -4.907 -15.114 -3.453 1.00 1.59 O ATOM 0 H GLY A 88 -7.873 -12.315 -2.450 1.00 0.52 H new ATOM 0 HA2 GLY A 88 -7.804 -14.429 -3.227 1.00 0.61 H new ATOM 0 HA3 GLY A 88 -6.795 -13.942 -4.575 1.00 0.61 H new ATOM 1381 N LEU A 89 -5.522 -14.133 -1.505 1.00 0.51 N ATOM 1382 CA LEU A 89 -4.341 -14.470 -0.703 1.00 0.48 C ATOM 1383 C LEU A 89 -3.854 -15.908 -0.807 1.00 0.60 C ATOM 1384 O LEU A 89 -4.609 -16.853 -1.021 1.00 0.87 O ATOM 1385 CB LEU A 89 -4.486 -14.138 0.787 1.00 0.52 C ATOM 1386 CG LEU A 89 -5.171 -12.824 1.208 1.00 0.50 C ATOM 1387 CD1 LEU A 89 -4.930 -12.661 2.710 1.00 0.66 C ATOM 1388 CD2 LEU A 89 -4.667 -11.575 0.467 1.00 0.48 C ATOM 0 H LEU A 89 -6.224 -13.621 -0.970 1.00 0.51 H new ATOM 0 HA LEU A 89 -3.592 -13.826 -1.164 1.00 0.48 H new ATOM 0 HB2 LEU A 89 -5.036 -14.956 1.252 1.00 0.52 H new ATOM 0 HB3 LEU A 89 -3.486 -14.139 1.221 1.00 0.52 H new ATOM 0 HG LEU A 89 -6.228 -12.899 0.951 1.00 0.50 H new ATOM 0 HD11 LEU A 89 -5.399 -11.740 3.056 1.00 0.66 H new ATOM 0 HD12 LEU A 89 -5.361 -13.509 3.242 1.00 0.66 H new ATOM 0 HD13 LEU A 89 -3.858 -12.618 2.904 1.00 0.66 H new ATOM 0 HD21 LEU A 89 -5.204 -10.697 0.827 1.00 0.48 H new ATOM 0 HD22 LEU A 89 -3.600 -11.448 0.651 1.00 0.48 H new ATOM 0 HD23 LEU A 89 -4.839 -11.692 -0.603 1.00 0.48 H new ATOM 1400 N LYS A 90 -2.546 -16.046 -0.606 1.00 0.52 N ATOM 1401 CA LYS A 90 -1.832 -17.323 -0.733 1.00 0.59 C ATOM 1402 C LYS A 90 -1.313 -17.876 0.595 1.00 0.71 C ATOM 1403 O LYS A 90 -1.183 -19.086 0.767 1.00 0.81 O ATOM 1404 CB LYS A 90 -0.707 -17.180 -1.753 1.00 0.56 C ATOM 1405 CG LYS A 90 -1.095 -16.507 -3.092 1.00 0.60 C ATOM 1406 CD LYS A 90 -2.273 -17.255 -3.708 1.00 1.19 C ATOM 1407 CE LYS A 90 -2.724 -16.783 -5.089 1.00 1.40 C ATOM 1408 NZ LYS A 90 -4.101 -17.273 -5.347 1.00 2.31 N ATOM 0 H LYS A 90 -1.941 -15.267 -0.347 1.00 0.52 H new ATOM 0 HA LYS A 90 -2.555 -18.060 -1.083 1.00 0.59 H new ATOM 0 HB2 LYS A 90 0.099 -16.604 -1.299 1.00 0.56 H new ATOM 0 HB3 LYS A 90 -0.309 -18.171 -1.968 1.00 0.56 H new ATOM 0 HG2 LYS A 90 -1.360 -15.463 -2.924 1.00 0.60 H new ATOM 0 HG3 LYS A 90 -0.246 -16.515 -3.776 1.00 0.60 H new ATOM 0 HD2 LYS A 90 -2.011 -18.311 -3.776 1.00 1.19 H new ATOM 0 HD3 LYS A 90 -3.120 -17.180 -3.027 1.00 1.19 H new ATOM 0 HE2 LYS A 90 -2.697 -15.695 -5.141 1.00 1.40 H new ATOM 0 HE3 LYS A 90 -2.043 -17.156 -5.854 1.00 1.40 H new ATOM 0 HZ1 LYS A 90 -4.368 -17.057 -6.329 1.00 2.31 H new ATOM 0 HZ2 LYS A 90 -4.137 -18.301 -5.197 1.00 2.31 H new ATOM 0 HZ3 LYS A 90 -4.764 -16.804 -4.697 1.00 2.31 H new ATOM 1422 N ARG A 91 -1.070 -16.973 1.543 1.00 0.75 N ATOM 1423 CA ARG A 91 -0.977 -17.254 2.969 1.00 0.85 C ATOM 1424 C ARG A 91 -2.042 -16.430 3.719 1.00 0.84 C ATOM 1425 O ARG A 91 -2.183 -15.244 3.398 1.00 0.87 O ATOM 1426 CB ARG A 91 0.422 -16.878 3.460 1.00 1.00 C ATOM 1427 CG ARG A 91 1.501 -17.790 2.850 1.00 1.28 C ATOM 1428 CD ARG A 91 2.895 -17.451 3.384 1.00 2.19 C ATOM 1429 NE ARG A 91 3.036 -17.824 4.801 1.00 2.69 N ATOM 1430 CZ ARG A 91 3.460 -18.962 5.336 1.00 3.62 C ATOM 1431 NH1 ARG A 91 3.916 -19.972 4.619 1.00 4.18 N ATOM 1432 NH2 ARG A 91 3.412 -19.066 6.645 1.00 4.64 N ATOM 0 H ARG A 91 -0.927 -15.986 1.327 1.00 0.75 H new ATOM 0 HA ARG A 91 -1.151 -18.314 3.156 1.00 0.85 H new ATOM 0 HB2 ARG A 91 0.633 -15.841 3.200 1.00 1.00 H new ATOM 0 HB3 ARG A 91 0.458 -16.948 4.547 1.00 1.00 H new ATOM 0 HG2 ARG A 91 1.268 -18.831 3.075 1.00 1.28 H new ATOM 0 HG3 ARG A 91 1.492 -17.689 1.765 1.00 1.28 H new ATOM 0 HD2 ARG A 91 3.649 -17.972 2.793 1.00 2.19 H new ATOM 0 HD3 ARG A 91 3.080 -16.383 3.268 1.00 2.19 H new ATOM 0 HE ARG A 91 2.769 -17.102 5.470 1.00 2.69 H new ATOM 0 HH11 ARG A 91 3.955 -19.899 3.602 1.00 4.18 H new ATOM 0 HH12 ARG A 91 4.230 -20.825 5.082 1.00 4.18 H new ATOM 0 HH21 ARG A 91 3.059 -18.290 7.206 1.00 4.64 H new ATOM 0 HH22 ARG A 91 3.727 -19.922 7.100 1.00 4.64 H new ATOM 1446 N PRO A 92 -2.769 -17.015 4.695 1.00 0.91 N ATOM 1447 CA PRO A 92 -3.642 -16.268 5.591 1.00 1.03 C ATOM 1448 C PRO A 92 -2.755 -15.498 6.573 1.00 1.14 C ATOM 1449 O PRO A 92 -1.981 -16.104 7.313 1.00 1.45 O ATOM 1450 CB PRO A 92 -4.521 -17.320 6.277 1.00 1.22 C ATOM 1451 CG PRO A 92 -3.641 -18.570 6.301 1.00 1.20 C ATOM 1452 CD PRO A 92 -2.782 -18.432 5.042 1.00 1.02 C ATOM 0 HA PRO A 92 -4.278 -15.536 5.093 1.00 1.03 H new ATOM 0 HB2 PRO A 92 -4.804 -17.011 7.283 1.00 1.22 H new ATOM 0 HB3 PRO A 92 -5.445 -17.492 5.725 1.00 1.22 H new ATOM 0 HG2 PRO A 92 -3.028 -18.611 7.201 1.00 1.20 H new ATOM 0 HG3 PRO A 92 -4.239 -19.481 6.280 1.00 1.20 H new ATOM 0 HD2 PRO A 92 -1.770 -18.795 5.222 1.00 1.02 H new ATOM 0 HD3 PRO A 92 -3.193 -19.026 4.226 1.00 1.02 H new ATOM 1460 N LEU A 93 -2.813 -14.163 6.520 1.00 1.18 N ATOM 1461 CA LEU A 93 -1.781 -13.315 7.110 1.00 1.25 C ATOM 1462 C LEU A 93 -2.173 -12.782 8.503 1.00 1.52 C ATOM 1463 O LEU A 93 -3.000 -11.890 8.697 1.00 2.20 O ATOM 1464 CB LEU A 93 -1.203 -12.345 6.052 1.00 1.45 C ATOM 1465 CG LEU A 93 -2.142 -11.411 5.259 1.00 1.53 C ATOM 1466 CD1 LEU A 93 -2.393 -10.093 6.001 1.00 3.03 C ATOM 1467 CD2 LEU A 93 -1.512 -11.082 3.895 1.00 1.79 C ATOM 0 H LEU A 93 -3.570 -13.648 6.071 1.00 1.18 H new ATOM 0 HA LEU A 93 -0.904 -13.900 7.386 1.00 1.25 H new ATOM 0 HB2 LEU A 93 -0.471 -11.714 6.557 1.00 1.45 H new ATOM 0 HB3 LEU A 93 -0.657 -12.947 5.326 1.00 1.45 H new ATOM 0 HG LEU A 93 -3.092 -11.932 5.136 1.00 1.53 H new ATOM 0 HD11 LEU A 93 -3.058 -9.464 5.410 1.00 3.03 H new ATOM 0 HD12 LEU A 93 -2.853 -10.301 6.967 1.00 3.03 H new ATOM 0 HD13 LEU A 93 -1.446 -9.576 6.154 1.00 3.03 H new ATOM 0 HD21 LEU A 93 -2.177 -10.423 3.337 1.00 1.79 H new ATOM 0 HD22 LEU A 93 -0.553 -10.587 4.047 1.00 1.79 H new ATOM 0 HD23 LEU A 93 -1.359 -12.003 3.333 1.00 1.79 H new ATOM 1479 N LYS A 94 -1.533 -13.393 9.502 1.00 1.29 N ATOM 1480 CA LYS A 94 -1.625 -13.081 10.930 1.00 1.37 C ATOM 1481 C LYS A 94 -0.308 -12.528 11.490 1.00 0.98 C ATOM 1482 O LYS A 94 0.736 -12.613 10.844 1.00 1.57 O ATOM 1483 CB LYS A 94 -2.133 -14.335 11.685 1.00 2.07 C ATOM 1484 CG LYS A 94 -1.378 -15.663 11.467 1.00 1.71 C ATOM 1485 CD LYS A 94 0.024 -15.746 12.091 1.00 2.07 C ATOM 1486 CE LYS A 94 0.684 -17.103 11.813 1.00 2.58 C ATOM 1487 NZ LYS A 94 2.167 -17.021 11.839 1.00 3.65 N ATOM 0 H LYS A 94 -0.895 -14.169 9.324 1.00 1.29 H new ATOM 0 HA LYS A 94 -2.346 -12.277 11.079 1.00 1.37 H new ATOM 0 HB2 LYS A 94 -2.117 -14.112 12.752 1.00 2.07 H new ATOM 0 HB3 LYS A 94 -3.175 -14.493 11.408 1.00 2.07 H new ATOM 0 HG2 LYS A 94 -1.984 -16.474 11.872 1.00 1.71 H new ATOM 0 HG3 LYS A 94 -1.289 -15.836 10.395 1.00 1.71 H new ATOM 0 HD2 LYS A 94 0.649 -14.948 11.691 1.00 2.07 H new ATOM 0 HD3 LYS A 94 -0.046 -15.588 13.167 1.00 2.07 H new ATOM 0 HE2 LYS A 94 0.349 -17.827 12.555 1.00 2.58 H new ATOM 0 HE3 LYS A 94 0.359 -17.471 10.840 1.00 2.58 H new ATOM 0 HZ1 LYS A 94 2.559 -17.926 12.169 1.00 3.65 H new ATOM 0 HZ2 LYS A 94 2.520 -16.819 10.882 1.00 3.65 H new ATOM 0 HZ3 LYS A 94 2.461 -16.260 12.484 1.00 3.65 H new ATOM 1501 N ALA A 95 -0.339 -12.042 12.729 1.00 0.89 N ATOM 1502 CA ALA A 95 0.829 -11.568 13.446 1.00 1.01 C ATOM 1503 C ALA A 95 1.895 -12.672 13.544 1.00 1.22 C ATOM 1504 O ALA A 95 1.610 -13.817 13.905 1.00 1.37 O ATOM 1505 CB ALA A 95 0.366 -11.058 14.811 1.00 1.28 C ATOM 0 H ALA A 95 -1.201 -11.968 13.270 1.00 0.89 H new ATOM 0 HA ALA A 95 1.308 -10.747 12.913 1.00 1.01 H new ATOM 0 HB1 ALA A 95 1.225 -10.694 15.374 1.00 1.28 H new ATOM 0 HB2 ALA A 95 -0.348 -10.246 14.673 1.00 1.28 H new ATOM 0 HB3 ALA A 95 -0.110 -11.870 15.360 1.00 1.28 H new ATOM 1511 N GLY A 96 3.121 -12.324 13.169 1.00 1.47 N ATOM 1512 CA GLY A 96 4.235 -13.277 13.073 1.00 1.94 C ATOM 1513 C GLY A 96 4.175 -14.139 11.811 1.00 2.19 C ATOM 1514 O GLY A 96 4.560 -15.306 11.846 1.00 2.91 O ATOM 0 H GLY A 96 3.378 -11.369 12.920 1.00 1.47 H new ATOM 0 HA2 GLY A 96 5.177 -12.729 13.088 1.00 1.94 H new ATOM 0 HA3 GLY A 96 4.229 -13.925 13.950 1.00 1.94 H new ATOM 1518 N GLU A 97 3.644 -13.594 10.717 1.00 1.80 N ATOM 1519 CA GLU A 97 4.136 -13.856 9.362 1.00 1.83 C ATOM 1520 C GLU A 97 5.028 -12.675 8.932 1.00 1.65 C ATOM 1521 O GLU A 97 5.111 -11.648 9.616 1.00 1.58 O ATOM 1522 CB GLU A 97 2.975 -13.940 8.359 1.00 1.68 C ATOM 1523 CG GLU A 97 1.853 -14.929 8.685 1.00 2.01 C ATOM 1524 CD GLU A 97 2.202 -16.356 8.292 1.00 1.72 C ATOM 1525 OE1 GLU A 97 2.061 -16.701 7.101 1.00 2.60 O ATOM 1526 OE2 GLU A 97 2.605 -17.143 9.176 1.00 2.13 O ATOM 0 H GLU A 97 2.852 -12.952 10.745 1.00 1.80 H new ATOM 0 HA GLU A 97 4.680 -14.801 9.369 1.00 1.83 H new ATOM 0 HB2 GLU A 97 2.536 -12.947 8.264 1.00 1.68 H new ATOM 0 HB3 GLU A 97 3.386 -14.202 7.384 1.00 1.68 H new ATOM 0 HG2 GLU A 97 1.639 -14.892 9.753 1.00 2.01 H new ATOM 0 HG3 GLU A 97 0.943 -14.625 8.167 1.00 2.01 H new ATOM 1533 N GLU A 98 5.571 -12.758 7.723 1.00 1.65 N ATOM 1534 CA GLU A 98 6.181 -11.682 6.988 1.00 1.49 C ATOM 1535 C GLU A 98 5.951 -11.977 5.502 1.00 1.36 C ATOM 1536 O GLU A 98 5.543 -13.070 5.099 1.00 1.66 O ATOM 1537 CB GLU A 98 7.647 -11.434 7.390 1.00 1.47 C ATOM 1538 CG GLU A 98 8.604 -12.617 7.225 1.00 2.61 C ATOM 1539 CD GLU A 98 10.015 -12.192 7.632 1.00 2.66 C ATOM 1540 OE1 GLU A 98 10.339 -12.320 8.834 1.00 3.18 O ATOM 1541 OE2 GLU A 98 10.742 -11.704 6.739 1.00 3.26 O ATOM 0 H GLU A 98 5.593 -13.638 7.207 1.00 1.65 H new ATOM 0 HA GLU A 98 5.718 -10.726 7.231 1.00 1.49 H new ATOM 0 HB2 GLU A 98 8.028 -10.601 6.799 1.00 1.47 H new ATOM 0 HB3 GLU A 98 7.667 -11.120 8.434 1.00 1.47 H new ATOM 0 HG2 GLU A 98 8.273 -13.454 7.840 1.00 2.61 H new ATOM 0 HG3 GLU A 98 8.600 -12.960 6.190 1.00 2.61 H new ATOM 1548 N VAL A 99 6.083 -10.912 4.736 1.00 1.01 N ATOM 1549 CA VAL A 99 5.552 -10.679 3.391 1.00 0.86 C ATOM 1550 C VAL A 99 6.497 -9.698 2.678 1.00 0.59 C ATOM 1551 O VAL A 99 7.208 -8.924 3.318 1.00 0.89 O ATOM 1552 CB VAL A 99 4.105 -10.111 3.494 1.00 0.91 C ATOM 1553 CG1 VAL A 99 3.553 -9.570 2.161 1.00 1.49 C ATOM 1554 CG2 VAL A 99 3.105 -11.158 4.024 1.00 1.22 C ATOM 0 H VAL A 99 6.615 -10.106 5.064 1.00 1.01 H new ATOM 0 HA VAL A 99 5.499 -11.605 2.819 1.00 0.86 H new ATOM 0 HB VAL A 99 4.198 -9.283 4.196 1.00 0.91 H new ATOM 0 HG11 VAL A 99 2.542 -9.192 2.313 1.00 1.49 H new ATOM 0 HG12 VAL A 99 4.192 -8.763 1.803 1.00 1.49 H new ATOM 0 HG13 VAL A 99 3.534 -10.372 1.423 1.00 1.49 H new ATOM 0 HG21 VAL A 99 2.110 -10.716 4.078 1.00 1.22 H new ATOM 0 HG22 VAL A 99 3.085 -12.015 3.351 1.00 1.22 H new ATOM 0 HG23 VAL A 99 3.412 -11.484 5.018 1.00 1.22 H new ATOM 1564 N GLU A 100 6.476 -9.694 1.346 1.00 0.78 N ATOM 1565 CA GLU A 100 7.076 -8.639 0.528 1.00 0.79 C ATOM 1566 C GLU A 100 6.045 -8.085 -0.462 1.00 0.75 C ATOM 1567 O GLU A 100 5.105 -8.789 -0.858 1.00 0.73 O ATOM 1568 CB GLU A 100 8.348 -9.134 -0.185 1.00 0.93 C ATOM 1569 CG GLU A 100 8.133 -10.306 -1.160 1.00 1.60 C ATOM 1570 CD GLU A 100 9.386 -10.592 -1.990 1.00 1.60 C ATOM 1571 OE1 GLU A 100 10.517 -10.437 -1.477 1.00 2.13 O ATOM 1572 OE2 GLU A 100 9.259 -10.943 -3.185 1.00 2.43 O ATOM 0 H GLU A 100 6.036 -10.433 0.797 1.00 0.78 H new ATOM 0 HA GLU A 100 7.383 -7.825 1.185 1.00 0.79 H new ATOM 0 HB2 GLU A 100 8.787 -8.300 -0.734 1.00 0.93 H new ATOM 0 HB3 GLU A 100 9.075 -9.437 0.569 1.00 0.93 H new ATOM 0 HG2 GLU A 100 7.857 -11.199 -0.599 1.00 1.60 H new ATOM 0 HG3 GLU A 100 7.301 -10.077 -1.825 1.00 1.60 H new ATOM 1579 N LEU A 101 6.256 -6.826 -0.866 1.00 0.79 N ATOM 1580 CA LEU A 101 5.590 -6.184 -2.002 1.00 0.73 C ATOM 1581 C LEU A 101 6.638 -5.694 -3.017 1.00 0.65 C ATOM 1582 O LEU A 101 7.608 -5.024 -2.648 1.00 0.81 O ATOM 1583 CB LEU A 101 4.685 -5.004 -1.559 1.00 0.84 C ATOM 1584 CG LEU A 101 3.182 -5.334 -1.423 1.00 1.02 C ATOM 1585 CD1 LEU A 101 2.836 -6.173 -0.183 1.00 1.39 C ATOM 1586 CD2 LEU A 101 2.360 -4.039 -1.355 1.00 1.99 C ATOM 0 H LEU A 101 6.917 -6.208 -0.395 1.00 0.79 H new ATOM 0 HA LEU A 101 4.947 -6.930 -2.469 1.00 0.73 H new ATOM 0 HB2 LEU A 101 5.046 -4.632 -0.600 1.00 0.84 H new ATOM 0 HB3 LEU A 101 4.797 -4.193 -2.278 1.00 0.84 H new ATOM 0 HG LEU A 101 2.936 -5.925 -2.305 1.00 1.02 H new ATOM 0 HD11 LEU A 101 1.763 -6.362 -0.160 1.00 1.39 H new ATOM 0 HD12 LEU A 101 3.371 -7.122 -0.225 1.00 1.39 H new ATOM 0 HD13 LEU A 101 3.129 -5.631 0.716 1.00 1.39 H new ATOM 0 HD21 LEU A 101 1.302 -4.284 -1.259 1.00 1.99 H new ATOM 0 HD22 LEU A 101 2.676 -3.452 -0.492 1.00 1.99 H new ATOM 0 HD23 LEU A 101 2.517 -3.460 -2.265 1.00 1.99 H new ATOM 1598 N ASP A 102 6.363 -5.968 -4.290 1.00 0.57 N ATOM 1599 CA ASP A 102 6.942 -5.332 -5.486 1.00 0.58 C ATOM 1600 C ASP A 102 6.260 -3.973 -5.691 1.00 0.55 C ATOM 1601 O ASP A 102 5.035 -3.891 -5.622 1.00 0.74 O ATOM 1602 CB ASP A 102 6.599 -6.180 -6.727 1.00 0.79 C ATOM 1603 CG ASP A 102 7.467 -7.399 -7.055 1.00 1.08 C ATOM 1604 OD1 ASP A 102 8.561 -7.553 -6.478 1.00 1.58 O ATOM 1605 OD2 ASP A 102 7.008 -8.175 -7.933 1.00 2.59 O ATOM 0 H ASP A 102 5.684 -6.688 -4.537 1.00 0.57 H new ATOM 0 HA ASP A 102 8.020 -5.234 -5.357 1.00 0.58 H new ATOM 0 HB2 ASP A 102 5.572 -6.528 -6.615 1.00 0.79 H new ATOM 0 HB3 ASP A 102 6.619 -5.519 -7.593 1.00 0.79 H new ATOM 1610 N LEU A 103 7.023 -2.918 -5.972 1.00 0.51 N ATOM 1611 CA LEU A 103 6.561 -1.559 -6.230 1.00 0.46 C ATOM 1612 C LEU A 103 6.661 -1.280 -7.734 1.00 0.48 C ATOM 1613 O LEU A 103 7.766 -1.148 -8.262 1.00 0.63 O ATOM 1614 CB LEU A 103 7.475 -0.597 -5.453 1.00 0.54 C ATOM 1615 CG LEU A 103 7.232 -0.528 -3.938 1.00 0.69 C ATOM 1616 CD1 LEU A 103 7.412 -1.840 -3.170 1.00 0.83 C ATOM 1617 CD2 LEU A 103 8.190 0.518 -3.355 1.00 1.21 C ATOM 0 H LEU A 103 8.038 -2.995 -6.028 1.00 0.51 H new ATOM 0 HA LEU A 103 5.526 -1.427 -5.913 1.00 0.46 H new ATOM 0 HB2 LEU A 103 8.511 -0.891 -5.624 1.00 0.54 H new ATOM 0 HB3 LEU A 103 7.355 0.404 -5.868 1.00 0.54 H new ATOM 0 HG LEU A 103 6.180 -0.271 -3.816 1.00 0.69 H new ATOM 0 HD11 LEU A 103 7.215 -1.672 -2.111 1.00 0.83 H new ATOM 0 HD12 LEU A 103 6.716 -2.585 -3.555 1.00 0.83 H new ATOM 0 HD13 LEU A 103 8.434 -2.199 -3.297 1.00 0.83 H new ATOM 0 HD21 LEU A 103 8.040 0.589 -2.278 1.00 1.21 H new ATOM 0 HD22 LEU A 103 9.219 0.223 -3.559 1.00 1.21 H new ATOM 0 HD23 LEU A 103 7.993 1.487 -3.813 1.00 1.21 H new ATOM 1629 N LEU A 104 5.521 -1.180 -8.427 1.00 0.44 N ATOM 1630 CA LEU A 104 5.479 -0.980 -9.877 1.00 0.48 C ATOM 1631 C LEU A 104 5.372 0.516 -10.200 1.00 0.53 C ATOM 1632 O LEU A 104 4.375 1.170 -9.865 1.00 0.52 O ATOM 1633 CB LEU A 104 4.312 -1.778 -10.489 1.00 0.48 C ATOM 1634 CG LEU A 104 4.253 -3.281 -10.127 1.00 0.51 C ATOM 1635 CD1 LEU A 104 3.058 -3.927 -10.844 1.00 0.68 C ATOM 1636 CD2 LEU A 104 5.538 -4.041 -10.484 1.00 0.56 C ATOM 0 H LEU A 104 4.599 -1.236 -7.995 1.00 0.44 H new ATOM 0 HA LEU A 104 6.403 -1.351 -10.320 1.00 0.48 H new ATOM 0 HB2 LEU A 104 3.377 -1.313 -10.177 1.00 0.48 H new ATOM 0 HB3 LEU A 104 4.366 -1.688 -11.574 1.00 0.48 H new ATOM 0 HG LEU A 104 4.140 -3.346 -9.045 1.00 0.51 H new ATOM 0 HD11 LEU A 104 3.012 -4.987 -10.592 1.00 0.68 H new ATOM 0 HD12 LEU A 104 2.136 -3.438 -10.528 1.00 0.68 H new ATOM 0 HD13 LEU A 104 3.176 -3.815 -11.922 1.00 0.68 H new ATOM 0 HD21 LEU A 104 5.431 -5.089 -10.204 1.00 0.56 H new ATOM 0 HD22 LEU A 104 5.718 -3.968 -11.557 1.00 0.56 H new ATOM 0 HD23 LEU A 104 6.380 -3.606 -9.945 1.00 0.56 H new ATOM 1648 N PHE A 105 6.391 1.068 -10.864 1.00 0.66 N ATOM 1649 CA PHE A 105 6.483 2.486 -11.217 1.00 0.74 C ATOM 1650 C PHE A 105 6.309 2.711 -12.729 1.00 0.84 C ATOM 1651 O PHE A 105 6.749 1.904 -13.551 1.00 1.10 O ATOM 1652 CB PHE A 105 7.844 3.036 -10.785 1.00 0.82 C ATOM 1653 CG PHE A 105 8.131 2.946 -9.303 1.00 0.74 C ATOM 1654 CD1 PHE A 105 7.748 3.994 -8.445 1.00 1.92 C ATOM 1655 CD2 PHE A 105 8.803 1.828 -8.779 1.00 1.86 C ATOM 1656 CE1 PHE A 105 8.086 3.948 -7.085 1.00 1.84 C ATOM 1657 CE2 PHE A 105 9.128 1.777 -7.415 1.00 1.95 C ATOM 1658 CZ PHE A 105 8.791 2.846 -6.572 1.00 0.79 C ATOM 0 H PHE A 105 7.196 0.526 -11.179 1.00 0.66 H new ATOM 0 HA PHE A 105 5.678 3.008 -10.699 1.00 0.74 H new ATOM 0 HB2 PHE A 105 8.624 2.498 -11.324 1.00 0.82 H new ATOM 0 HB3 PHE A 105 7.910 4.081 -11.089 1.00 0.82 H new ATOM 0 HD1 PHE A 105 7.193 4.835 -8.835 1.00 1.92 H new ATOM 0 HD2 PHE A 105 9.070 1.007 -9.428 1.00 1.86 H new ATOM 0 HE1 PHE A 105 7.804 4.760 -6.431 1.00 1.84 H new ATOM 0 HE2 PHE A 105 9.638 0.914 -7.014 1.00 1.95 H new ATOM 0 HZ PHE A 105 9.073 2.822 -5.530 1.00 0.79 H new ATOM 1668 N ALA A 106 5.744 3.863 -13.106 1.00 0.73 N ATOM 1669 CA ALA A 106 5.711 4.320 -14.495 1.00 0.71 C ATOM 1670 C ALA A 106 7.130 4.513 -15.075 1.00 1.37 C ATOM 1671 O ALA A 106 8.071 4.851 -14.351 1.00 2.17 O ATOM 1672 CB ALA A 106 4.888 5.614 -14.578 1.00 1.54 C ATOM 0 H ALA A 106 5.296 4.505 -12.452 1.00 0.73 H new ATOM 0 HA ALA A 106 5.236 3.552 -15.105 1.00 0.71 H new ATOM 0 HB1 ALA A 106 4.859 5.961 -15.611 1.00 1.54 H new ATOM 0 HB2 ALA A 106 3.873 5.422 -14.231 1.00 1.54 H new ATOM 0 HB3 ALA A 106 5.348 6.378 -13.951 1.00 1.54 H new ATOM 1678 N GLY A 107 7.292 4.325 -16.389 1.00 2.39 N ATOM 1679 CA GLY A 107 8.579 4.538 -17.066 1.00 3.46 C ATOM 1680 C GLY A 107 9.589 3.406 -16.856 1.00 3.07 C ATOM 1681 O GLY A 107 10.787 3.680 -16.764 1.00 4.14 O ATOM 0 H GLY A 107 6.542 4.023 -17.011 1.00 2.39 H new ATOM 0 HA2 GLY A 107 8.400 4.658 -18.135 1.00 3.46 H new ATOM 0 HA3 GLY A 107 9.015 5.471 -16.709 1.00 3.46 H new ATOM 1685 N GLY A 108 9.121 2.153 -16.761 1.00 1.75 N ATOM 1686 CA GLY A 108 9.965 0.955 -16.846 1.00 1.61 C ATOM 1687 C GLY A 108 10.839 0.715 -15.616 1.00 1.44 C ATOM 1688 O GLY A 108 12.029 0.443 -15.761 1.00 1.94 O ATOM 0 H GLY A 108 8.133 1.942 -16.621 1.00 1.75 H new ATOM 0 HA2 GLY A 108 9.327 0.085 -16.999 1.00 1.61 H new ATOM 0 HA3 GLY A 108 10.607 1.038 -17.723 1.00 1.61 H new ATOM 1692 N LYS A 109 10.286 0.863 -14.409 1.00 0.91 N ATOM 1693 CA LYS A 109 11.023 0.707 -13.144 1.00 0.82 C ATOM 1694 C LYS A 109 10.245 -0.146 -12.136 1.00 0.75 C ATOM 1695 O LYS A 109 9.037 0.020 -11.986 1.00 0.87 O ATOM 1696 CB LYS A 109 11.316 2.100 -12.554 1.00 0.85 C ATOM 1697 CG LYS A 109 12.425 2.813 -13.329 1.00 1.16 C ATOM 1698 CD LYS A 109 12.476 4.313 -13.007 1.00 1.35 C ATOM 1699 CE LYS A 109 13.348 5.050 -14.032 1.00 2.11 C ATOM 1700 NZ LYS A 109 12.659 5.192 -15.342 1.00 3.21 N ATOM 0 H LYS A 109 9.302 1.097 -14.277 1.00 0.91 H new ATOM 0 HA LYS A 109 11.959 0.188 -13.352 1.00 0.82 H new ATOM 0 HB2 LYS A 109 10.409 2.704 -12.576 1.00 0.85 H new ATOM 0 HB3 LYS A 109 11.607 2.000 -11.508 1.00 0.85 H new ATOM 0 HG2 LYS A 109 13.386 2.358 -13.089 1.00 1.16 H new ATOM 0 HG3 LYS A 109 12.266 2.677 -14.399 1.00 1.16 H new ATOM 0 HD2 LYS A 109 11.468 4.727 -13.013 1.00 1.35 H new ATOM 0 HD3 LYS A 109 12.876 4.463 -12.004 1.00 1.35 H new ATOM 0 HE2 LYS A 109 13.605 6.037 -13.648 1.00 2.11 H new ATOM 0 HE3 LYS A 109 14.284 4.508 -14.170 1.00 2.11 H new ATOM 0 HZ1 LYS A 109 13.351 5.085 -16.111 1.00 3.21 H new ATOM 0 HZ2 LYS A 109 11.927 4.459 -15.430 1.00 3.21 H new ATOM 0 HZ3 LYS A 109 12.217 6.131 -15.402 1.00 3.21 H new ATOM 1714 N VAL A 110 10.967 -0.993 -11.404 1.00 0.81 N ATOM 1715 CA VAL A 110 10.445 -1.792 -10.285 1.00 0.82 C ATOM 1716 C VAL A 110 11.506 -1.874 -9.184 1.00 0.78 C ATOM 1717 O VAL A 110 12.677 -2.117 -9.470 1.00 0.76 O ATOM 1718 CB VAL A 110 10.002 -3.216 -10.730 1.00 0.88 C ATOM 1719 CG1 VAL A 110 9.483 -4.078 -9.562 1.00 1.95 C ATOM 1720 CG2 VAL A 110 8.910 -3.175 -11.813 1.00 2.02 C ATOM 0 H VAL A 110 11.960 -1.150 -11.574 1.00 0.81 H new ATOM 0 HA VAL A 110 9.554 -1.295 -9.902 1.00 0.82 H new ATOM 0 HB VAL A 110 10.907 -3.670 -11.133 1.00 0.88 H new ATOM 0 HG11 VAL A 110 9.190 -5.059 -9.936 1.00 1.95 H new ATOM 0 HG12 VAL A 110 10.271 -4.194 -8.818 1.00 1.95 H new ATOM 0 HG13 VAL A 110 8.621 -3.591 -9.105 1.00 1.95 H new ATOM 0 HG21 VAL A 110 8.634 -4.192 -12.090 1.00 2.02 H new ATOM 0 HG22 VAL A 110 8.034 -2.654 -11.427 1.00 2.02 H new ATOM 0 HG23 VAL A 110 9.287 -2.649 -12.690 1.00 2.02 H new ATOM 1730 N LEU A 111 11.069 -1.661 -7.939 1.00 0.91 N ATOM 1731 CA LEU A 111 11.778 -2.002 -6.697 1.00 0.72 C ATOM 1732 C LEU A 111 10.929 -3.052 -5.948 1.00 0.72 C ATOM 1733 O LEU A 111 9.793 -3.309 -6.334 1.00 1.34 O ATOM 1734 CB LEU A 111 11.966 -0.744 -5.812 1.00 0.83 C ATOM 1735 CG LEU A 111 13.077 0.262 -6.192 1.00 1.61 C ATOM 1736 CD1 LEU A 111 12.893 0.959 -7.550 1.00 3.08 C ATOM 1737 CD2 LEU A 111 13.152 1.345 -5.104 1.00 2.14 C ATOM 0 H LEU A 111 10.165 -1.224 -7.759 1.00 0.91 H new ATOM 0 HA LEU A 111 12.768 -2.397 -6.927 1.00 0.72 H new ATOM 0 HB2 LEU A 111 11.019 -0.204 -5.797 1.00 0.83 H new ATOM 0 HB3 LEU A 111 12.157 -1.080 -4.793 1.00 0.83 H new ATOM 0 HG LEU A 111 13.991 -0.326 -6.274 1.00 1.61 H new ATOM 0 HD11 LEU A 111 13.723 1.644 -7.723 1.00 3.08 H new ATOM 0 HD12 LEU A 111 12.868 0.211 -8.342 1.00 3.08 H new ATOM 0 HD13 LEU A 111 11.957 1.517 -7.549 1.00 3.08 H new ATOM 0 HD21 LEU A 111 13.932 2.063 -5.358 1.00 2.14 H new ATOM 0 HD22 LEU A 111 12.194 1.860 -5.036 1.00 2.14 H new ATOM 0 HD23 LEU A 111 13.384 0.882 -4.145 1.00 2.14 H new ATOM 1749 N LYS A 112 11.418 -3.602 -4.833 1.00 0.88 N ATOM 1750 CA LYS A 112 10.550 -4.279 -3.855 1.00 1.13 C ATOM 1751 C LYS A 112 10.942 -3.959 -2.406 1.00 1.09 C ATOM 1752 O LYS A 112 12.095 -3.624 -2.141 1.00 1.24 O ATOM 1753 CB LYS A 112 10.415 -5.778 -4.160 1.00 1.53 C ATOM 1754 CG LYS A 112 11.657 -6.655 -3.981 1.00 1.49 C ATOM 1755 CD LYS A 112 11.185 -8.115 -4.032 1.00 1.44 C ATOM 1756 CE LYS A 112 12.334 -9.119 -4.130 1.00 1.65 C ATOM 1757 NZ LYS A 112 11.844 -10.478 -3.809 1.00 1.91 N ATOM 0 H LYS A 112 12.407 -3.594 -4.582 1.00 0.88 H new ATOM 0 HA LYS A 112 9.545 -3.870 -3.963 1.00 1.13 H new ATOM 0 HB2 LYS A 112 9.626 -6.180 -3.524 1.00 1.53 H new ATOM 0 HB3 LYS A 112 10.077 -5.881 -5.191 1.00 1.53 H new ATOM 0 HG2 LYS A 112 12.386 -6.457 -4.767 1.00 1.49 H new ATOM 0 HG3 LYS A 112 12.147 -6.441 -3.031 1.00 1.49 H new ATOM 0 HD2 LYS A 112 10.598 -8.331 -3.139 1.00 1.44 H new ATOM 0 HD3 LYS A 112 10.523 -8.246 -4.888 1.00 1.44 H new ATOM 0 HE2 LYS A 112 12.757 -9.103 -5.134 1.00 1.65 H new ATOM 0 HE3 LYS A 112 13.133 -8.839 -3.443 1.00 1.65 H new ATOM 0 HZ1 LYS A 112 12.504 -11.185 -4.192 1.00 1.91 H new ATOM 0 HZ2 LYS A 112 11.779 -10.589 -2.777 1.00 1.91 H new ATOM 0 HZ3 LYS A 112 10.904 -10.617 -4.232 1.00 1.91 H new ATOM 1771 N VAL A 113 9.984 -4.048 -1.481 1.00 1.03 N ATOM 1772 CA VAL A 113 10.147 -3.713 -0.051 1.00 1.10 C ATOM 1773 C VAL A 113 9.564 -4.839 0.815 1.00 1.05 C ATOM 1774 O VAL A 113 8.773 -5.663 0.355 1.00 1.03 O ATOM 1775 CB VAL A 113 9.527 -2.331 0.303 1.00 1.24 C ATOM 1776 CG1 VAL A 113 9.821 -1.860 1.741 1.00 1.87 C ATOM 1777 CG2 VAL A 113 10.020 -1.221 -0.644 1.00 1.88 C ATOM 0 H VAL A 113 9.041 -4.364 -1.706 1.00 1.03 H new ATOM 0 HA VAL A 113 11.213 -3.627 0.160 1.00 1.10 H new ATOM 0 HB VAL A 113 8.454 -2.494 0.196 1.00 1.24 H new ATOM 0 HG11 VAL A 113 9.354 -0.889 1.908 1.00 1.87 H new ATOM 0 HG12 VAL A 113 9.419 -2.583 2.450 1.00 1.87 H new ATOM 0 HG13 VAL A 113 10.898 -1.774 1.883 1.00 1.87 H new ATOM 0 HG21 VAL A 113 9.563 -0.273 -0.362 1.00 1.88 H new ATOM 0 HG22 VAL A 113 11.104 -1.137 -0.572 1.00 1.88 H new ATOM 0 HG23 VAL A 113 9.742 -1.467 -1.669 1.00 1.88 H new ATOM 1787 N VAL A 114 9.993 -4.855 2.075 1.00 1.09 N ATOM 1788 CA VAL A 114 9.725 -5.879 3.096 1.00 0.95 C ATOM 1789 C VAL A 114 8.633 -5.428 4.075 1.00 1.04 C ATOM 1790 O VAL A 114 8.538 -4.247 4.414 1.00 1.60 O ATOM 1791 CB VAL A 114 11.026 -6.260 3.845 1.00 1.44 C ATOM 1792 CG1 VAL A 114 11.627 -5.093 4.651 1.00 3.09 C ATOM 1793 CG2 VAL A 114 10.831 -7.480 4.760 1.00 2.57 C ATOM 0 H VAL A 114 10.578 -4.103 2.440 1.00 1.09 H new ATOM 0 HA VAL A 114 9.354 -6.768 2.586 1.00 0.95 H new ATOM 0 HB VAL A 114 11.738 -6.519 3.061 1.00 1.44 H new ATOM 0 HG11 VAL A 114 12.536 -5.427 5.151 1.00 3.09 H new ATOM 0 HG12 VAL A 114 11.865 -4.270 3.977 1.00 3.09 H new ATOM 0 HG13 VAL A 114 10.906 -4.756 5.396 1.00 3.09 H new ATOM 0 HG21 VAL A 114 11.769 -7.710 5.264 1.00 2.57 H new ATOM 0 HG22 VAL A 114 10.065 -7.259 5.503 1.00 2.57 H new ATOM 0 HG23 VAL A 114 10.521 -8.337 4.162 1.00 2.57 H new ATOM 1803 N LEU A 115 7.795 -6.378 4.503 1.00 0.81 N ATOM 1804 CA LEU A 115 6.630 -6.166 5.359 1.00 1.20 C ATOM 1805 C LEU A 115 6.469 -7.358 6.331 1.00 1.06 C ATOM 1806 O LEU A 115 5.969 -8.405 5.915 1.00 1.08 O ATOM 1807 CB LEU A 115 5.351 -6.005 4.501 1.00 1.72 C ATOM 1808 CG LEU A 115 5.331 -4.830 3.496 1.00 1.26 C ATOM 1809 CD1 LEU A 115 5.859 -5.230 2.111 1.00 2.50 C ATOM 1810 CD2 LEU A 115 3.888 -4.346 3.317 1.00 2.82 C ATOM 0 H LEU A 115 7.918 -7.358 4.249 1.00 0.81 H new ATOM 0 HA LEU A 115 6.779 -5.252 5.934 1.00 1.20 H new ATOM 0 HB2 LEU A 115 5.195 -6.930 3.946 1.00 1.72 H new ATOM 0 HB3 LEU A 115 4.502 -5.891 5.175 1.00 1.72 H new ATOM 0 HG LEU A 115 5.977 -4.052 3.903 1.00 1.26 H new ATOM 0 HD11 LEU A 115 5.823 -4.368 1.445 1.00 2.50 H new ATOM 0 HD12 LEU A 115 6.889 -5.577 2.200 1.00 2.50 H new ATOM 0 HD13 LEU A 115 5.241 -6.030 1.703 1.00 2.50 H new ATOM 0 HD21 LEU A 115 3.867 -3.517 2.609 1.00 2.82 H new ATOM 0 HD22 LEU A 115 3.275 -5.163 2.937 1.00 2.82 H new ATOM 0 HD23 LEU A 115 3.494 -4.013 4.277 1.00 2.82 H new ATOM 1822 N PRO A 116 6.797 -7.229 7.628 1.00 1.14 N ATOM 1823 CA PRO A 116 6.261 -8.113 8.664 1.00 1.18 C ATOM 1824 C PRO A 116 4.730 -8.011 8.751 1.00 1.04 C ATOM 1825 O PRO A 116 4.144 -6.999 8.353 1.00 1.00 O ATOM 1826 CB PRO A 116 6.941 -7.678 9.968 1.00 1.40 C ATOM 1827 CG PRO A 116 7.325 -6.223 9.699 1.00 1.44 C ATOM 1828 CD PRO A 116 7.685 -6.246 8.220 1.00 1.37 C ATOM 0 HA PRO A 116 6.466 -9.161 8.445 1.00 1.18 H new ATOM 0 HB2 PRO A 116 6.268 -7.765 10.821 1.00 1.40 H new ATOM 0 HB3 PRO A 116 7.815 -8.290 10.189 1.00 1.40 H new ATOM 0 HG2 PRO A 116 6.500 -5.541 9.905 1.00 1.44 H new ATOM 0 HG3 PRO A 116 8.165 -5.904 10.316 1.00 1.44 H new ATOM 0 HD2 PRO A 116 7.546 -5.265 7.765 1.00 1.37 H new ATOM 0 HD3 PRO A 116 8.730 -6.520 8.073 1.00 1.37 H new ATOM 1836 N VAL A 117 4.078 -9.050 9.289 1.00 1.07 N ATOM 1837 CA VAL A 117 2.634 -9.025 9.567 1.00 1.01 C ATOM 1838 C VAL A 117 2.389 -8.924 11.076 1.00 1.20 C ATOM 1839 O VAL A 117 3.108 -9.509 11.887 1.00 1.23 O ATOM 1840 CB VAL A 117 1.912 -10.239 8.958 1.00 0.89 C ATOM 1841 CG1 VAL A 117 0.381 -10.098 9.052 1.00 0.86 C ATOM 1842 CG2 VAL A 117 2.273 -10.396 7.468 1.00 0.82 C ATOM 0 H VAL A 117 4.532 -9.927 9.543 1.00 1.07 H new ATOM 0 HA VAL A 117 2.213 -8.140 9.089 1.00 1.01 H new ATOM 0 HB VAL A 117 2.236 -11.110 9.528 1.00 0.89 H new ATOM 0 HG11 VAL A 117 -0.093 -10.975 8.611 1.00 0.86 H new ATOM 0 HG12 VAL A 117 0.087 -10.014 10.098 1.00 0.86 H new ATOM 0 HG13 VAL A 117 0.064 -9.205 8.513 1.00 0.86 H new ATOM 0 HG21 VAL A 117 1.752 -11.260 7.056 1.00 0.82 H new ATOM 0 HG22 VAL A 117 1.974 -9.500 6.925 1.00 0.82 H new ATOM 0 HG23 VAL A 117 3.349 -10.539 7.367 1.00 0.82 H new ATOM 1852 N GLU A 118 1.363 -8.148 11.419 1.00 1.41 N ATOM 1853 CA GLU A 118 1.031 -7.602 12.738 1.00 1.40 C ATOM 1854 C GLU A 118 -0.446 -7.893 13.088 1.00 1.90 C ATOM 1855 O GLU A 118 -1.119 -8.641 12.374 1.00 2.95 O ATOM 1856 CB GLU A 118 1.348 -6.084 12.718 1.00 1.34 C ATOM 1857 CG GLU A 118 2.512 -5.677 13.638 1.00 1.67 C ATOM 1858 CD GLU A 118 2.118 -5.570 15.115 1.00 2.68 C ATOM 1859 OE1 GLU A 118 1.322 -6.405 15.593 1.00 3.92 O ATOM 1860 OE2 GLU A 118 2.584 -4.628 15.795 1.00 3.11 O ATOM 0 H GLU A 118 0.680 -7.858 10.719 1.00 1.41 H new ATOM 0 HA GLU A 118 1.627 -8.077 13.518 1.00 1.40 H new ATOM 0 HB2 GLU A 118 1.584 -5.786 11.697 1.00 1.34 H new ATOM 0 HB3 GLU A 118 0.455 -5.533 13.013 1.00 1.34 H new ATOM 0 HG2 GLU A 118 3.316 -6.406 13.537 1.00 1.67 H new ATOM 0 HG3 GLU A 118 2.908 -4.717 13.306 1.00 1.67 H new ATOM 1867 N ALA A 119 -0.937 -7.353 14.207 1.00 1.56 N ATOM 1868 CA ALA A 119 -2.368 -7.209 14.500 1.00 1.75 C ATOM 1869 C ALA A 119 -2.689 -5.778 14.982 1.00 1.94 C ATOM 1870 O ALA A 119 -2.548 -5.462 16.169 1.00 2.43 O ATOM 1871 CB ALA A 119 -2.776 -8.291 15.509 1.00 1.99 C ATOM 0 H ALA A 119 -0.338 -6.996 14.952 1.00 1.56 H new ATOM 0 HA ALA A 119 -2.957 -7.355 13.595 1.00 1.75 H new ATOM 0 HB1 ALA A 119 -3.838 -8.195 15.736 1.00 1.99 H new ATOM 0 HB2 ALA A 119 -2.583 -9.276 15.084 1.00 1.99 H new ATOM 0 HB3 ALA A 119 -2.197 -8.171 16.425 1.00 1.99 H new ATOM 1877 N ARG A 120 -3.088 -4.896 14.052 1.00 1.98 N ATOM 1878 CA ARG A 120 -3.264 -3.436 14.253 1.00 2.30 C ATOM 1879 C ARG A 120 -4.417 -2.849 13.441 1.00 2.68 C ATOM 1880 O ARG A 120 -4.869 -1.741 13.793 1.00 3.53 O ATOM 1881 CB ARG A 120 -1.969 -2.686 13.868 1.00 2.54 C ATOM 1882 CG ARG A 120 -0.712 -3.101 14.642 1.00 3.21 C ATOM 1883 CD ARG A 120 -0.795 -2.808 16.142 1.00 3.75 C ATOM 1884 NE ARG A 120 0.287 -3.510 16.838 1.00 5.12 N ATOM 1885 CZ ARG A 120 0.203 -4.412 17.787 1.00 6.48 C ATOM 1886 NH1 ARG A 120 -0.913 -4.791 18.336 1.00 7.06 N ATOM 1887 NH2 ARG A 120 1.296 -4.978 18.185 1.00 7.79 N ATOM 1888 OXT ARG A 120 -4.765 -3.428 12.392 1.00 3.14 O ATOM 0 H ARG A 120 -3.307 -5.185 13.099 1.00 1.98 H new ATOM 0 HA ARG A 120 -3.497 -3.304 15.310 1.00 2.30 H new ATOM 0 HB2 ARG A 120 -1.786 -2.836 12.804 1.00 2.54 H new ATOM 0 HB3 ARG A 120 -2.130 -1.618 14.016 1.00 2.54 H new ATOM 0 HG2 ARG A 120 -0.541 -4.168 14.497 1.00 3.21 H new ATOM 0 HG3 ARG A 120 0.150 -2.581 14.225 1.00 3.21 H new ATOM 0 HD2 ARG A 120 -0.719 -1.735 16.318 1.00 3.75 H new ATOM 0 HD3 ARG A 120 -1.761 -3.128 16.533 1.00 3.75 H new ATOM 0 HE ARG A 120 1.233 -3.264 16.545 1.00 5.12 H new ATOM 0 HH11 ARG A 120 -1.796 -4.381 18.032 1.00 7.06 H new ATOM 0 HH12 ARG A 120 -0.906 -5.499 19.070 1.00 7.06 H new ATOM 0 HH21 ARG A 120 2.188 -4.719 17.763 1.00 7.79 H new ATOM 0 HH22 ARG A 120 1.266 -5.683 18.921 1.00 7.79 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -9.308 -0.973 -0.110 1.00 0.65 CU