USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 40 ASN : amide:sc= 0.503 X(o=0.48,f=-0.0016) USER MOD Set 1.3: A 42 MET CE :methyl -137:sc= -0.0227 (180deg=-0.134) USER MOD Single : A 2 LYS NZ :NH3+ -154:sc= 1.33 (180deg=1.08) USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= -0.024 (180deg=-0.0942) USER MOD Single : A 9 THR OG1 : rot -130:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0.778 K(o=0.78,f=0) USER MOD Single : A 30 MET CE :methyl -153:sc= -0.491 (180deg=-1.52) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0465 K(o=-0.046,f=-1.4!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.13) USER MOD Single : A 49 MET CE :methyl 168:sc= 0 (180deg=-0.124) USER MOD Single : A 51 TYR OH : rot 168:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -93:sc= 1.26 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= -1.6! (180deg=-2.46!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LYS A 2 3.767 -8.133 12.712 1.00 0.00 N ATOM 32 CA LYS A 2 2.553 -7.904 11.931 1.00 0.00 C ATOM 33 C LYS A 2 2.972 -7.213 10.637 1.00 0.00 C ATOM 34 O LYS A 2 3.671 -6.202 10.722 1.00 0.00 O ATOM 35 CB LYS A 2 1.562 -7.062 12.750 1.00 0.00 C ATOM 36 CG LYS A 2 0.204 -7.023 12.043 1.00 0.00 C ATOM 37 CD LYS A 2 -0.894 -6.421 12.925 1.00 0.00 C ATOM 38 CE LYS A 2 -2.265 -6.677 12.289 1.00 0.00 C ATOM 39 NZ LYS A 2 -3.358 -6.223 13.168 1.00 0.00 N ATOM 0 HA LYS A 2 2.044 -8.837 11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.450 -7.485 13.748 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.947 -6.050 12.874 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.291 -6.440 11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.081 -8.034 11.752 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.856 -6.862 13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.732 -5.350 13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.326 -6.159 11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.380 -7.741 12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.219 -6.768 12.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.087 -6.367 14.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.540 -5.213 13.002 1.00 0.00 H new ATOM 53 N VAL A 3 2.606 -7.740 9.469 1.00 0.00 N ATOM 54 CA VAL A 3 2.955 -7.143 8.186 1.00 0.00 C ATOM 55 C VAL A 3 2.161 -5.849 8.035 1.00 0.00 C ATOM 56 O VAL A 3 0.935 -5.895 7.911 1.00 0.00 O ATOM 57 CB VAL A 3 2.711 -8.130 7.023 1.00 0.00 C ATOM 58 CG1 VAL A 3 3.196 -7.576 5.673 1.00 0.00 C ATOM 59 CG2 VAL A 3 3.459 -9.448 7.269 1.00 0.00 C ATOM 0 H VAL A 3 2.057 -8.596 9.389 1.00 0.00 H new ATOM 0 HA VAL A 3 4.019 -6.911 8.153 1.00 0.00 H new ATOM 0 HB VAL A 3 1.633 -8.288 6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.002 -8.307 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.664 -6.652 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.266 -7.376 5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.275 -10.131 6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.528 -9.251 7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.105 -9.900 8.196 1.00 0.00 H new ATOM 69 N LYS A 4 2.833 -4.695 8.093 1.00 0.00 N ATOM 70 CA LYS A 4 2.154 -3.411 8.005 1.00 0.00 C ATOM 71 C LYS A 4 2.096 -2.971 6.555 1.00 0.00 C ATOM 72 O LYS A 4 3.041 -3.187 5.794 1.00 0.00 O ATOM 73 CB LYS A 4 2.859 -2.341 8.854 1.00 0.00 C ATOM 74 CG LYS A 4 3.270 -2.799 10.262 1.00 0.00 C ATOM 75 CD LYS A 4 2.157 -3.463 11.093 1.00 0.00 C ATOM 76 CE LYS A 4 1.002 -2.543 11.500 1.00 0.00 C ATOM 77 NZ LYS A 4 1.459 -1.332 12.207 1.00 0.00 N ATOM 0 H LYS A 4 3.845 -4.630 8.200 1.00 0.00 H new ATOM 0 HA LYS A 4 1.144 -3.529 8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.750 -2.005 8.323 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.199 -1.479 8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.099 -3.501 10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.644 -1.935 10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.750 -4.298 10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.602 -3.881 11.996 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.445 -2.250 10.610 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.313 -3.094 12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.635 -0.797 12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.053 -1.605 13.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.012 -0.738 11.557 1.00 0.00 H new ATOM 91 N ILE A 5 1.009 -2.316 6.183 1.00 0.00 N ATOM 92 CA ILE A 5 0.846 -1.621 4.932 1.00 0.00 C ATOM 93 C ILE A 5 0.217 -0.283 5.311 1.00 0.00 C ATOM 94 O ILE A 5 -0.707 -0.238 6.125 1.00 0.00 O ATOM 95 CB ILE A 5 -0.021 -2.446 3.954 1.00 0.00 C ATOM 96 CG1 ILE A 5 0.628 -3.775 3.489 1.00 0.00 C ATOM 97 CG2 ILE A 5 -0.416 -1.635 2.705 1.00 0.00 C ATOM 98 CD1 ILE A 5 0.344 -4.987 4.385 1.00 0.00 C ATOM 0 H ILE A 5 0.182 -2.256 6.777 1.00 0.00 H new ATOM 0 HA ILE A 5 1.786 -1.468 4.403 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.906 -2.695 4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.279 -3.998 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.707 -3.633 3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.024 -2.255 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.987 -0.757 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.484 -1.319 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.841 -5.867 3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.720 -4.793 5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.731 -5.164 4.427 1.00 0.00 H new ATOM 110 N GLU A 6 0.677 0.796 4.684 1.00 0.00 N ATOM 111 CA GLU A 6 0.057 2.112 4.779 1.00 0.00 C ATOM 112 C GLU A 6 -0.236 2.557 3.349 1.00 0.00 C ATOM 113 O GLU A 6 0.609 2.409 2.461 1.00 0.00 O ATOM 114 CB GLU A 6 0.940 3.126 5.539 1.00 0.00 C ATOM 115 CG GLU A 6 0.811 3.023 7.070 1.00 0.00 C ATOM 116 CD GLU A 6 1.225 4.292 7.835 1.00 0.00 C ATOM 117 OE1 GLU A 6 1.086 5.427 7.319 1.00 0.00 O ATOM 118 OE2 GLU A 6 1.641 4.199 9.015 1.00 0.00 O ATOM 0 H GLU A 6 1.504 0.779 4.087 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.863 2.060 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.982 2.971 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.672 4.135 5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.223 2.786 7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.422 2.190 7.418 1.00 0.00 H new ATOM 125 N LEU A 7 -1.452 3.052 3.118 1.00 0.00 N ATOM 126 CA LEU A 7 -1.984 3.382 1.805 1.00 0.00 C ATOM 127 C LEU A 7 -2.222 4.897 1.725 1.00 0.00 C ATOM 128 O LEU A 7 -3.305 5.357 2.098 1.00 0.00 O ATOM 129 CB LEU A 7 -3.279 2.562 1.590 1.00 0.00 C ATOM 130 CG LEU A 7 -3.682 2.310 0.129 1.00 0.00 C ATOM 131 CD1 LEU A 7 -3.480 3.531 -0.782 1.00 0.00 C ATOM 132 CD2 LEU A 7 -2.960 1.063 -0.397 1.00 0.00 C ATOM 0 H LEU A 7 -2.114 3.239 3.871 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.284 3.125 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.161 1.598 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.099 3.078 2.088 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.757 2.129 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.785 3.281 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.083 4.362 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.428 3.817 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.247 0.886 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.882 1.216 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.237 0.200 0.208 1.00 0.00 H new ATOM 144 N PHE A 8 -1.241 5.673 1.246 1.00 0.00 N ATOM 145 CA PHE A 8 -1.318 7.131 1.162 1.00 0.00 C ATOM 146 C PHE A 8 -1.355 7.566 -0.305 1.00 0.00 C ATOM 147 O PHE A 8 -0.342 7.579 -0.999 1.00 0.00 O ATOM 148 CB PHE A 8 -0.156 7.760 1.946 1.00 0.00 C ATOM 149 CG PHE A 8 -0.107 9.281 1.976 1.00 0.00 C ATOM 150 CD1 PHE A 8 0.417 10.023 0.896 1.00 0.00 C ATOM 151 CD2 PHE A 8 -0.464 9.957 3.156 1.00 0.00 C ATOM 152 CE1 PHE A 8 0.602 11.411 0.995 1.00 0.00 C ATOM 153 CE2 PHE A 8 -0.277 11.347 3.254 1.00 0.00 C ATOM 154 CZ PHE A 8 0.248 12.079 2.177 1.00 0.00 C ATOM 0 H PHE A 8 -0.358 5.296 0.901 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.240 7.487 1.621 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.202 7.399 2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.780 7.396 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.680 9.515 -0.020 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.882 9.408 3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.016 11.963 0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.540 11.858 4.168 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.378 13.148 2.258 1.00 0.00 H new ATOM 164 N THR A 9 -2.534 7.953 -0.785 1.00 0.00 N ATOM 165 CA THR A 9 -2.754 8.583 -2.093 1.00 0.00 C ATOM 166 C THR A 9 -4.248 8.902 -2.239 1.00 0.00 C ATOM 167 O THR A 9 -5.043 8.479 -1.400 1.00 0.00 O ATOM 168 CB THR A 9 -2.244 7.695 -3.256 1.00 0.00 C ATOM 169 OG1 THR A 9 -2.151 8.477 -4.429 1.00 0.00 O ATOM 170 CG2 THR A 9 -3.091 6.437 -3.504 1.00 0.00 C ATOM 0 H THR A 9 -3.398 7.834 -0.257 1.00 0.00 H new ATOM 0 HA THR A 9 -2.178 9.507 -2.145 1.00 0.00 H new ATOM 0 HB THR A 9 -1.261 7.324 -2.965 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.602 8.015 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.667 5.871 -4.333 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.095 5.818 -2.607 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.113 6.728 -3.748 1.00 0.00 H new ATOM 178 N SER A 10 -4.646 9.645 -3.276 1.00 0.00 N ATOM 179 CA SER A 10 -6.040 9.852 -3.662 1.00 0.00 C ATOM 180 C SER A 10 -6.108 10.458 -5.084 1.00 0.00 C ATOM 181 O SER A 10 -6.812 11.449 -5.275 1.00 0.00 O ATOM 182 CB SER A 10 -6.708 10.761 -2.610 1.00 0.00 C ATOM 183 OG SER A 10 -8.101 10.567 -2.541 1.00 0.00 O ATOM 0 H SER A 10 -3.988 10.131 -3.885 1.00 0.00 H new ATOM 0 HA SER A 10 -6.578 8.905 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.268 10.565 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.500 11.804 -2.850 1.00 0.00 H new ATOM 0 HG SER A 10 -8.481 11.162 -1.861 1.00 0.00 H new ATOM 274 N PRO A 17 -10.434 1.261 -5.098 1.00 0.00 N ATOM 275 CA PRO A 17 -9.530 0.159 -5.395 1.00 0.00 C ATOM 276 C PRO A 17 -8.121 0.585 -4.994 1.00 0.00 C ATOM 277 O PRO A 17 -7.404 1.226 -5.764 1.00 0.00 O ATOM 278 CB PRO A 17 -9.691 -0.149 -6.885 1.00 0.00 C ATOM 279 CG PRO A 17 -10.112 1.191 -7.482 1.00 0.00 C ATOM 280 CD PRO A 17 -10.881 1.871 -6.347 1.00 0.00 C ATOM 0 HA PRO A 17 -9.746 -0.754 -4.840 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.760 -0.509 -7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.443 -0.919 -7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.249 1.781 -7.790 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.737 1.057 -8.365 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.690 2.944 -6.341 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.955 1.739 -6.477 1.00 0.00 H new ATOM 288 N ALA A 18 -7.778 0.329 -3.737 1.00 0.00 N ATOM 289 CA ALA A 18 -6.521 0.682 -3.121 1.00 0.00 C ATOM 290 C ALA A 18 -6.321 -0.280 -1.954 1.00 0.00 C ATOM 291 O ALA A 18 -5.988 -1.445 -2.177 1.00 0.00 O ATOM 292 CB ALA A 18 -6.578 2.164 -2.712 1.00 0.00 C ATOM 0 H ALA A 18 -8.406 -0.155 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.664 0.585 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.636 2.449 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.745 2.779 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.394 2.315 -2.005 1.00 0.00 H new ATOM 298 N ALA A 19 -6.608 0.150 -0.720 1.00 0.00 N ATOM 299 CA ALA A 19 -6.548 -0.717 0.445 1.00 0.00 C ATOM 300 C ALA A 19 -7.407 -1.973 0.258 1.00 0.00 C ATOM 301 O ALA A 19 -7.046 -3.018 0.791 1.00 0.00 O ATOM 302 CB ALA A 19 -6.973 0.071 1.680 1.00 0.00 C ATOM 0 H ALA A 19 -6.887 1.108 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.522 -1.060 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.930 -0.575 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.301 0.918 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.992 0.434 1.547 1.00 0.00 H new ATOM 308 N LYS A 20 -8.493 -1.904 -0.522 1.00 0.00 N ATOM 309 CA LYS A 20 -9.311 -3.048 -0.924 1.00 0.00 C ATOM 310 C LYS A 20 -8.451 -4.172 -1.520 1.00 0.00 C ATOM 311 O LYS A 20 -8.338 -5.242 -0.925 1.00 0.00 O ATOM 312 CB LYS A 20 -10.400 -2.558 -1.899 1.00 0.00 C ATOM 313 CG LYS A 20 -11.392 -3.652 -2.318 1.00 0.00 C ATOM 314 CD LYS A 20 -12.425 -3.976 -1.232 1.00 0.00 C ATOM 315 CE LYS A 20 -13.348 -5.080 -1.754 1.00 0.00 C ATOM 316 NZ LYS A 20 -14.447 -5.388 -0.818 1.00 0.00 N ATOM 0 H LYS A 20 -8.835 -1.021 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.796 -3.480 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.950 -1.740 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.921 -2.153 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.912 -3.336 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.840 -4.558 -2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.926 -4.300 -0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.003 -3.086 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.767 -4.776 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.764 -5.983 -1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.043 -6.141 -1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.051 -5.705 0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.023 -4.535 -0.666 1.00 0.00 H new ATOM 330 N ARG A 21 -7.846 -3.962 -2.695 1.00 0.00 N ATOM 331 CA ARG A 21 -7.065 -5.020 -3.337 1.00 0.00 C ATOM 332 C ARG A 21 -5.850 -5.372 -2.511 1.00 0.00 C ATOM 333 O ARG A 21 -5.488 -6.545 -2.478 1.00 0.00 O ATOM 334 CB ARG A 21 -6.536 -4.602 -4.704 1.00 0.00 C ATOM 335 CG ARG A 21 -7.592 -4.631 -5.811 1.00 0.00 C ATOM 336 CD ARG A 21 -6.945 -4.140 -7.114 1.00 0.00 C ATOM 337 NE ARG A 21 -7.744 -4.473 -8.299 1.00 0.00 N ATOM 338 CZ ARG A 21 -7.392 -4.231 -9.564 1.00 0.00 C ATOM 339 NH1 ARG A 21 -6.251 -3.617 -9.850 1.00 0.00 N ATOM 340 NH2 ARG A 21 -8.188 -4.603 -10.559 1.00 0.00 N ATOM 0 H ARG A 21 -7.882 -3.083 -3.212 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.747 -5.864 -3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.126 -3.594 -4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.714 -5.261 -4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.980 -5.642 -5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.437 -3.996 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.809 -3.060 -7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.954 -4.582 -7.212 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.644 -4.927 -8.143 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.628 -3.322 -9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.997 -3.440 -10.822 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.070 -5.074 -10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.918 -4.417 -11.525 1.00 0.00 H new ATOM 354 N VAL A 22 -5.187 -4.380 -1.916 1.00 0.00 N ATOM 355 CA VAL A 22 -3.952 -4.645 -1.204 1.00 0.00 C ATOM 356 C VAL A 22 -4.269 -5.541 0.008 1.00 0.00 C ATOM 357 O VAL A 22 -3.560 -6.526 0.204 1.00 0.00 O ATOM 358 CB VAL A 22 -3.205 -3.326 -0.904 1.00 0.00 C ATOM 359 CG1 VAL A 22 -1.867 -3.592 -0.201 1.00 0.00 C ATOM 360 CG2 VAL A 22 -2.867 -2.538 -2.190 1.00 0.00 C ATOM 0 H VAL A 22 -5.484 -3.404 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.242 -5.207 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.881 -2.750 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.365 -2.645 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.048 -4.110 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.237 -4.210 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.343 -1.619 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.232 -3.147 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.788 -2.291 -2.718 1.00 0.00 H new ATOM 370 N VAL A 23 -5.347 -5.290 0.771 1.00 0.00 N ATOM 371 CA VAL A 23 -5.717 -6.192 1.861 1.00 0.00 C ATOM 372 C VAL A 23 -6.115 -7.553 1.306 1.00 0.00 C ATOM 373 O VAL A 23 -5.715 -8.543 1.897 1.00 0.00 O ATOM 374 CB VAL A 23 -6.746 -5.585 2.850 1.00 0.00 C ATOM 375 CG1 VAL A 23 -8.223 -5.771 2.470 1.00 0.00 C ATOM 376 CG2 VAL A 23 -6.553 -6.174 4.256 1.00 0.00 C ATOM 0 H VAL A 23 -5.963 -4.485 0.653 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.834 -6.342 2.482 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.540 -4.515 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.855 -5.309 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.412 -5.301 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.451 -6.835 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.283 -5.737 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.692 -7.255 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.547 -5.949 4.610 1.00 0.00 H new ATOM 386 N GLU A 24 -6.835 -7.642 0.182 1.00 0.00 N ATOM 387 CA GLU A 24 -7.167 -8.933 -0.415 1.00 0.00 C ATOM 388 C GLU A 24 -5.891 -9.725 -0.731 1.00 0.00 C ATOM 389 O GLU A 24 -5.788 -10.912 -0.407 1.00 0.00 O ATOM 390 CB GLU A 24 -8.062 -8.718 -1.648 1.00 0.00 C ATOM 391 CG GLU A 24 -8.579 -10.049 -2.213 1.00 0.00 C ATOM 392 CD GLU A 24 -9.848 -9.835 -3.039 1.00 0.00 C ATOM 393 OE1 GLU A 24 -9.805 -9.082 -4.039 1.00 0.00 O ATOM 394 OE2 GLU A 24 -10.920 -10.340 -2.631 1.00 0.00 O ATOM 0 H GLU A 24 -7.196 -6.836 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.733 -9.535 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.907 -8.084 -1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.500 -8.189 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.810 -10.509 -2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.785 -10.740 -1.396 1.00 0.00 H new ATOM 401 N GLU A 25 -4.908 -9.050 -1.325 1.00 0.00 N ATOM 402 CA GLU A 25 -3.640 -9.619 -1.733 1.00 0.00 C ATOM 403 C GLU A 25 -2.916 -10.221 -0.525 1.00 0.00 C ATOM 404 O GLU A 25 -2.627 -11.420 -0.539 1.00 0.00 O ATOM 405 CB GLU A 25 -2.789 -8.555 -2.448 1.00 0.00 C ATOM 406 CG GLU A 25 -1.489 -9.186 -2.971 1.00 0.00 C ATOM 407 CD GLU A 25 -1.673 -9.790 -4.359 1.00 0.00 C ATOM 408 OE1 GLU A 25 -2.103 -10.961 -4.433 1.00 0.00 O ATOM 409 OE2 GLU A 25 -1.430 -9.095 -5.373 1.00 0.00 O ATOM 0 H GLU A 25 -4.983 -8.056 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.816 -10.428 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.352 -8.123 -3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.557 -7.741 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.705 -8.429 -3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.156 -9.959 -2.279 1.00 0.00 H new ATOM 416 N VAL A 26 -2.592 -9.422 0.499 1.00 0.00 N ATOM 417 CA VAL A 26 -1.837 -9.958 1.633 1.00 0.00 C ATOM 418 C VAL A 26 -2.719 -10.848 2.515 1.00 0.00 C ATOM 419 O VAL A 26 -2.215 -11.849 3.015 1.00 0.00 O ATOM 420 CB VAL A 26 -1.041 -8.865 2.383 1.00 0.00 C ATOM 421 CG1 VAL A 26 -1.794 -7.545 2.561 1.00 0.00 C ATOM 422 CG2 VAL A 26 -0.427 -9.340 3.708 1.00 0.00 C ATOM 0 H VAL A 26 -2.832 -8.433 0.565 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.061 -10.620 1.248 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.211 -8.655 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.163 -6.836 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.050 -7.137 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.707 -7.721 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.115 -8.517 4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.220 -9.677 4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.260 -10.164 3.516 1.00 0.00 H new ATOM 432 N ALA A 27 -4.022 -10.587 2.674 1.00 0.00 N ATOM 433 CA ALA A 27 -4.897 -11.454 3.465 1.00 0.00 C ATOM 434 C ALA A 27 -4.992 -12.851 2.858 1.00 0.00 C ATOM 435 O ALA A 27 -5.178 -13.820 3.592 1.00 0.00 O ATOM 436 CB ALA A 27 -6.306 -10.875 3.604 1.00 0.00 C ATOM 0 H ALA A 27 -4.492 -9.780 2.264 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.446 -11.519 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.920 -11.551 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.254 -9.904 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.750 -10.756 2.615 1.00 0.00 H new ATOM 442 N ASN A 28 -4.834 -12.989 1.537 1.00 0.00 N ATOM 443 CA ASN A 28 -4.745 -14.303 0.903 1.00 0.00 C ATOM 444 C ASN A 28 -3.552 -15.143 1.385 1.00 0.00 C ATOM 445 O ASN A 28 -3.517 -16.338 1.077 1.00 0.00 O ATOM 446 CB ASN A 28 -4.710 -14.166 -0.623 1.00 0.00 C ATOM 447 CG ASN A 28 -6.077 -14.371 -1.243 1.00 0.00 C ATOM 448 OD1 ASN A 28 -6.559 -15.501 -1.346 1.00 0.00 O ATOM 449 ND2 ASN A 28 -6.748 -13.298 -1.612 1.00 0.00 N ATOM 0 H ASN A 28 -4.765 -12.205 0.888 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.644 -14.841 1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.336 -13.178 -0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.012 -14.894 -1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.689 -13.391 -1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.326 -12.374 -1.516 1.00 0.00 H new ATOM 456 N GLU A 29 -2.576 -14.565 2.095 1.00 0.00 N ATOM 457 CA GLU A 29 -1.343 -15.242 2.500 1.00 0.00 C ATOM 458 C GLU A 29 -0.935 -14.996 3.963 1.00 0.00 C ATOM 459 O GLU A 29 -0.181 -15.806 4.513 1.00 0.00 O ATOM 460 CB GLU A 29 -0.222 -14.820 1.540 1.00 0.00 C ATOM 461 CG GLU A 29 -0.278 -15.568 0.197 1.00 0.00 C ATOM 462 CD GLU A 29 0.459 -16.905 0.262 1.00 0.00 C ATOM 463 OE1 GLU A 29 0.059 -17.806 1.037 1.00 0.00 O ATOM 464 OE2 GLU A 29 1.456 -17.091 -0.477 1.00 0.00 O ATOM 0 H GLU A 29 -2.624 -13.596 2.409 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.526 -16.315 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.290 -13.748 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.743 -15.002 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.318 -15.739 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.162 -14.948 -0.583 1.00 0.00 H new ATOM 471 N MET A 30 -1.428 -13.939 4.611 1.00 0.00 N ATOM 472 CA MET A 30 -1.353 -13.651 6.040 1.00 0.00 C ATOM 473 C MET A 30 -2.724 -13.097 6.468 1.00 0.00 C ATOM 474 O MET A 30 -2.873 -11.884 6.607 1.00 0.00 O ATOM 475 CB MET A 30 -0.215 -12.667 6.384 1.00 0.00 C ATOM 476 CG MET A 30 1.178 -13.269 6.170 1.00 0.00 C ATOM 477 SD MET A 30 2.438 -12.716 7.352 1.00 0.00 S ATOM 478 CE MET A 30 2.091 -13.872 8.698 1.00 0.00 C ATOM 0 H MET A 30 -1.929 -13.206 4.108 1.00 0.00 H new ATOM 0 HA MET A 30 -1.119 -14.565 6.586 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.317 -11.772 5.770 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.314 -12.353 7.423 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.101 -14.355 6.225 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.513 -13.024 5.162 1.00 0.00 H new ATOM 0 HE1 MET A 30 2.389 -13.426 9.647 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.024 -14.094 8.721 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.650 -14.794 8.539 1.00 0.00 H new ATOM 488 N PRO A 31 -3.746 -13.949 6.660 1.00 0.00 N ATOM 489 CA PRO A 31 -5.153 -13.561 6.842 1.00 0.00 C ATOM 490 C PRO A 31 -5.473 -12.881 8.185 1.00 0.00 C ATOM 491 O PRO A 31 -6.620 -12.910 8.636 1.00 0.00 O ATOM 492 CB PRO A 31 -5.945 -14.864 6.657 1.00 0.00 C ATOM 493 CG PRO A 31 -4.958 -15.943 7.085 1.00 0.00 C ATOM 494 CD PRO A 31 -3.643 -15.396 6.552 1.00 0.00 C ATOM 0 HA PRO A 31 -5.421 -12.790 6.119 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.845 -14.877 7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.262 -14.998 5.623 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.938 -16.072 8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.201 -16.914 6.653 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.799 -15.773 7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.482 -15.701 5.518 1.00 0.00 H new ATOM 502 N ASP A 32 -4.511 -12.236 8.845 1.00 0.00 N ATOM 503 CA ASP A 32 -4.575 -11.933 10.276 1.00 0.00 C ATOM 504 C ASP A 32 -3.342 -11.146 10.711 1.00 0.00 C ATOM 505 O ASP A 32 -3.493 -10.112 11.356 1.00 0.00 O ATOM 506 CB ASP A 32 -4.655 -13.239 11.088 1.00 0.00 C ATOM 507 CG ASP A 32 -4.334 -13.006 12.560 1.00 0.00 C ATOM 508 OD1 ASP A 32 -5.225 -12.558 13.320 1.00 0.00 O ATOM 509 OD2 ASP A 32 -3.177 -13.251 12.968 1.00 0.00 O ATOM 0 H ASP A 32 -3.656 -11.905 8.397 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.466 -11.332 10.460 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.654 -13.664 10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.959 -13.968 10.674 1.00 0.00 H new ATOM 514 N ALA A 33 -2.133 -11.546 10.296 1.00 0.00 N ATOM 515 CA ALA A 33 -0.949 -10.706 10.491 1.00 0.00 C ATOM 516 C ALA A 33 -0.922 -9.529 9.507 1.00 0.00 C ATOM 517 O ALA A 33 0.070 -8.810 9.466 1.00 0.00 O ATOM 518 CB ALA A 33 0.337 -11.520 10.361 1.00 0.00 C ATOM 0 H ALA A 33 -1.952 -12.435 9.829 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.009 -10.306 11.503 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.197 -10.868 10.511 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.345 -12.310 11.112 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.387 -11.964 9.367 1.00 0.00 H new ATOM 524 N VAL A 34 -1.949 -9.348 8.680 1.00 0.00 N ATOM 525 CA VAL A 34 -2.095 -8.204 7.804 1.00 0.00 C ATOM 526 C VAL A 34 -2.539 -6.989 8.626 1.00 0.00 C ATOM 527 O VAL A 34 -3.448 -7.087 9.455 1.00 0.00 O ATOM 528 CB VAL A 34 -3.073 -8.583 6.666 1.00 0.00 C ATOM 529 CG1 VAL A 34 -4.481 -9.012 7.109 1.00 0.00 C ATOM 530 CG2 VAL A 34 -3.231 -7.427 5.679 1.00 0.00 C ATOM 0 H VAL A 34 -2.718 -10.013 8.604 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.150 -7.925 7.337 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.605 -9.455 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.080 -9.254 6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.409 -9.889 7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.954 -8.197 7.658 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.923 -7.716 4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.621 -6.554 6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.262 -7.186 5.243 1.00 0.00 H new ATOM 540 N GLU A 35 -1.947 -5.827 8.364 1.00 0.00 N ATOM 541 CA GLU A 35 -2.495 -4.523 8.698 1.00 0.00 C ATOM 542 C GLU A 35 -2.443 -3.710 7.407 1.00 0.00 C ATOM 543 O GLU A 35 -1.372 -3.616 6.815 1.00 0.00 O ATOM 544 CB GLU A 35 -1.645 -3.856 9.793 1.00 0.00 C ATOM 545 CG GLU A 35 -2.382 -2.696 10.468 1.00 0.00 C ATOM 546 CD GLU A 35 -3.438 -3.220 11.433 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.096 -3.593 12.575 1.00 0.00 O ATOM 548 OE2 GLU A 35 -4.623 -3.303 11.046 1.00 0.00 O ATOM 0 H GLU A 35 -1.042 -5.769 7.897 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.513 -4.596 9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.374 -4.599 10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.716 -3.490 9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.670 -2.069 11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.853 -2.068 9.712 1.00 0.00 H new ATOM 555 N VAL A 36 -3.560 -3.143 6.951 1.00 0.00 N ATOM 556 CA VAL A 36 -3.592 -2.228 5.813 1.00 0.00 C ATOM 557 C VAL A 36 -4.320 -0.990 6.311 1.00 0.00 C ATOM 558 O VAL A 36 -5.543 -1.014 6.477 1.00 0.00 O ATOM 559 CB VAL A 36 -4.240 -2.873 4.565 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.386 -1.871 3.409 1.00 0.00 C ATOM 561 CG2 VAL A 36 -3.442 -4.066 4.020 1.00 0.00 C ATOM 0 H VAL A 36 -4.477 -3.309 7.366 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.591 -1.966 5.470 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.216 -3.211 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.845 -2.367 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.014 -1.038 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.402 -1.496 3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.949 -4.474 3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.442 -3.737 3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.368 -4.836 4.788 1.00 0.00 H new ATOM 571 N GLU A 37 -3.566 0.061 6.616 1.00 0.00 N ATOM 572 CA GLU A 37 -4.091 1.321 7.100 1.00 0.00 C ATOM 573 C GLU A 37 -4.310 2.191 5.864 1.00 0.00 C ATOM 574 O GLU A 37 -3.452 2.263 4.981 1.00 0.00 O ATOM 575 CB GLU A 37 -3.142 1.914 8.159 1.00 0.00 C ATOM 576 CG GLU A 37 -2.847 0.881 9.267 1.00 0.00 C ATOM 577 CD GLU A 37 -2.094 1.444 10.472 1.00 0.00 C ATOM 578 OE1 GLU A 37 -2.746 2.027 11.371 1.00 0.00 O ATOM 579 OE2 GLU A 37 -0.861 1.258 10.574 1.00 0.00 O ATOM 0 H GLU A 37 -2.550 0.054 6.529 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.044 1.225 7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.210 2.224 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.590 2.806 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.790 0.455 9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.265 0.064 8.840 1.00 0.00 H new ATOM 586 N TYR A 38 -5.495 2.783 5.757 1.00 0.00 N ATOM 587 CA TYR A 38 -6.010 3.453 4.575 1.00 0.00 C ATOM 588 C TYR A 38 -6.100 4.934 4.922 1.00 0.00 C ATOM 589 O TYR A 38 -6.953 5.337 5.714 1.00 0.00 O ATOM 590 CB TYR A 38 -7.363 2.830 4.213 1.00 0.00 C ATOM 591 CG TYR A 38 -7.974 3.119 2.851 1.00 0.00 C ATOM 592 CD1 TYR A 38 -7.300 3.799 1.809 1.00 0.00 C ATOM 593 CD2 TYR A 38 -9.255 2.593 2.618 1.00 0.00 C ATOM 594 CE1 TYR A 38 -7.907 3.931 0.542 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.859 2.712 1.361 1.00 0.00 C ATOM 596 CZ TYR A 38 -9.192 3.379 0.316 1.00 0.00 C ATOM 597 OH TYR A 38 -9.802 3.439 -0.897 1.00 0.00 O ATOM 0 H TYR A 38 -6.154 2.808 6.535 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.371 3.339 3.699 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.261 1.749 4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.082 3.146 4.969 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.320 4.217 1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.780 2.091 3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.394 4.451 -0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.839 2.291 1.192 1.00 0.00 H new ATOM 0 HH TYR A 38 -10.677 3.002 -0.845 1.00 0.00 H new ATOM 607 N ILE A 39 -5.170 5.734 4.406 1.00 0.00 N ATOM 608 CA ILE A 39 -5.020 7.141 4.753 1.00 0.00 C ATOM 609 C ILE A 39 -5.030 7.928 3.448 1.00 0.00 C ATOM 610 O ILE A 39 -4.013 8.473 3.014 1.00 0.00 O ATOM 611 CB ILE A 39 -3.779 7.377 5.650 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.447 6.815 5.090 1.00 0.00 C ATOM 613 CG2 ILE A 39 -4.062 6.877 7.078 1.00 0.00 C ATOM 614 CD1 ILE A 39 -2.094 5.376 5.484 1.00 0.00 C ATOM 0 H ILE A 39 -4.486 5.413 3.721 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.846 7.496 5.369 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.618 8.455 5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.483 6.872 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.637 7.467 5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.185 7.046 7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.912 7.419 7.491 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.289 5.811 7.052 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.142 5.098 5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.015 5.305 6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.874 4.701 5.132 1.00 0.00 H new ATOM 626 N ASN A 40 -6.189 7.933 2.778 1.00 0.00 N ATOM 627 CA ASN A 40 -6.286 8.617 1.498 1.00 0.00 C ATOM 628 C ASN A 40 -5.934 10.091 1.676 1.00 0.00 C ATOM 629 O ASN A 40 -6.239 10.709 2.699 1.00 0.00 O ATOM 630 CB ASN A 40 -7.642 8.431 0.800 1.00 0.00 C ATOM 631 CG ASN A 40 -8.768 9.236 1.432 1.00 0.00 C ATOM 632 OD1 ASN A 40 -9.461 8.732 2.309 1.00 0.00 O ATOM 633 ND2 ASN A 40 -9.008 10.466 1.016 1.00 0.00 N ATOM 0 H ASN A 40 -7.047 7.482 3.096 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.562 8.154 0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.545 8.718 -0.247 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.908 7.374 0.817 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.773 11.002 1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.428 10.880 0.286 1.00 0.00 H new ATOM 640 N VAL A 41 -5.276 10.652 0.668 1.00 0.00 N ATOM 641 CA VAL A 41 -4.945 12.066 0.629 1.00 0.00 C ATOM 642 C VAL A 41 -6.260 12.853 0.622 1.00 0.00 C ATOM 643 O VAL A 41 -7.234 12.447 -0.016 1.00 0.00 O ATOM 644 CB VAL A 41 -4.020 12.337 -0.577 1.00 0.00 C ATOM 645 CG1 VAL A 41 -3.834 13.823 -0.889 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.643 11.714 -0.300 1.00 0.00 C ATOM 0 H VAL A 41 -4.956 10.132 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.384 12.394 1.504 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.501 11.889 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.172 13.934 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.801 14.271 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.396 14.324 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.982 11.900 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.216 12.160 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.752 10.639 -0.155 1.00 0.00 H new ATOM 656 N MET A 42 -6.255 13.976 1.337 1.00 0.00 N ATOM 657 CA MET A 42 -7.367 14.866 1.628 1.00 0.00 C ATOM 658 C MET A 42 -6.752 15.994 2.455 1.00 0.00 C ATOM 659 O MET A 42 -6.505 17.062 1.901 1.00 0.00 O ATOM 660 CB MET A 42 -8.514 14.149 2.366 1.00 0.00 C ATOM 661 CG MET A 42 -9.789 14.994 2.375 1.00 0.00 C ATOM 662 SD MET A 42 -11.171 14.282 3.315 1.00 0.00 S ATOM 663 CE MET A 42 -11.502 12.777 2.365 1.00 0.00 C ATOM 0 H MET A 42 -5.392 14.313 1.764 1.00 0.00 H new ATOM 0 HA MET A 42 -7.836 15.242 0.719 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.714 13.191 1.886 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.211 13.935 3.391 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.555 15.975 2.788 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.111 15.151 1.346 1.00 0.00 H new ATOM 0 HE1 MET A 42 -12.578 12.650 2.247 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.037 12.857 1.383 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.091 11.916 2.892 1.00 0.00 H new ATOM 673 N GLU A 43 -6.340 15.741 3.701 1.00 0.00 N ATOM 674 CA GLU A 43 -5.564 16.711 4.486 1.00 0.00 C ATOM 675 C GLU A 43 -4.092 16.738 4.033 1.00 0.00 C ATOM 676 O GLU A 43 -3.326 17.613 4.431 1.00 0.00 O ATOM 677 CB GLU A 43 -5.704 16.384 5.983 1.00 0.00 C ATOM 678 CG GLU A 43 -5.455 17.570 6.931 1.00 0.00 C ATOM 679 CD GLU A 43 -6.651 18.527 7.016 1.00 0.00 C ATOM 680 OE1 GLU A 43 -7.178 18.978 5.974 1.00 0.00 O ATOM 681 OE2 GLU A 43 -7.110 18.829 8.143 1.00 0.00 O ATOM 0 H GLU A 43 -6.532 14.868 4.192 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.958 17.713 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.707 15.998 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.005 15.585 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.228 17.191 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.578 18.122 6.592 1.00 0.00 H new ATOM 688 N ASN A 44 -3.712 15.787 3.170 1.00 0.00 N ATOM 689 CA ASN A 44 -2.381 15.576 2.600 1.00 0.00 C ATOM 690 C ASN A 44 -1.260 15.712 3.651 1.00 0.00 C ATOM 691 O ASN A 44 -0.361 16.539 3.495 1.00 0.00 O ATOM 692 CB ASN A 44 -2.212 16.508 1.385 1.00 0.00 C ATOM 693 CG ASN A 44 -1.087 16.072 0.457 1.00 0.00 C ATOM 694 OD1 ASN A 44 -0.684 14.911 0.431 1.00 0.00 O ATOM 695 ND2 ASN A 44 -0.642 16.964 -0.411 1.00 0.00 N ATOM 0 H ASN A 44 -4.379 15.095 2.828 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.291 14.547 2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.147 16.540 0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.015 17.521 1.735 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.045 16.692 -1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.986 17.924 -0.377 1.00 0.00 H new ATOM 702 N PRO A 45 -1.330 14.958 4.768 1.00 0.00 N ATOM 703 CA PRO A 45 -0.455 15.184 5.910 1.00 0.00 C ATOM 704 C PRO A 45 0.974 14.695 5.658 1.00 0.00 C ATOM 705 O PRO A 45 1.198 13.695 4.969 1.00 0.00 O ATOM 706 CB PRO A 45 -1.103 14.418 7.062 1.00 0.00 C ATOM 707 CG PRO A 45 -1.828 13.270 6.366 1.00 0.00 C ATOM 708 CD PRO A 45 -2.305 13.917 5.073 1.00 0.00 C ATOM 0 HA PRO A 45 -0.355 16.248 6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.359 14.052 7.769 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.794 15.047 7.623 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.164 12.426 6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.659 12.894 6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.361 13.185 4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.303 14.338 5.191 1.00 0.00 H new ATOM 716 N GLN A 46 1.943 15.337 6.318 1.00 0.00 N ATOM 717 CA GLN A 46 3.360 15.019 6.161 1.00 0.00 C ATOM 718 C GLN A 46 3.720 13.606 6.629 1.00 0.00 C ATOM 719 O GLN A 46 4.806 13.141 6.295 1.00 0.00 O ATOM 720 CB GLN A 46 4.260 16.028 6.885 1.00 0.00 C ATOM 721 CG GLN A 46 4.122 17.477 6.399 1.00 0.00 C ATOM 722 CD GLN A 46 5.154 18.336 7.121 1.00 0.00 C ATOM 723 OE1 GLN A 46 4.953 18.720 8.273 1.00 0.00 O ATOM 724 NE2 GLN A 46 6.291 18.600 6.503 1.00 0.00 N ATOM 0 H GLN A 46 1.763 16.094 6.978 1.00 0.00 H new ATOM 0 HA GLN A 46 3.540 15.076 5.087 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.036 15.994 7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.298 15.717 6.768 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.274 17.530 5.321 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.116 17.848 6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.440 18.274 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.020 19.130 6.981 1.00 0.00 H new ATOM 733 N LYS A 47 2.836 12.902 7.346 1.00 0.00 N ATOM 734 CA LYS A 47 3.115 11.573 7.881 1.00 0.00 C ATOM 735 C LYS A 47 3.679 10.599 6.847 1.00 0.00 C ATOM 736 O LYS A 47 4.503 9.756 7.201 1.00 0.00 O ATOM 737 CB LYS A 47 1.907 11.029 8.676 1.00 0.00 C ATOM 738 CG LYS A 47 0.501 11.018 8.081 1.00 0.00 C ATOM 739 CD LYS A 47 0.247 10.143 6.855 1.00 0.00 C ATOM 740 CE LYS A 47 0.760 8.700 6.919 1.00 0.00 C ATOM 741 NZ LYS A 47 0.173 7.927 8.033 1.00 0.00 N ATOM 0 H LYS A 47 1.902 13.245 7.570 1.00 0.00 H new ATOM 0 HA LYS A 47 3.931 11.680 8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.144 10.001 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.854 11.600 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.190 10.705 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.242 12.044 7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.828 10.114 6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.702 10.628 5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.535 8.198 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.845 8.710 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.320 6.911 7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.632 8.201 8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.846 8.124 8.093 1.00 0.00 H new ATOM 755 N ALA A 48 3.207 10.653 5.600 1.00 0.00 N ATOM 756 CA ALA A 48 3.865 10.013 4.471 1.00 0.00 C ATOM 757 C ALA A 48 4.848 10.934 3.738 1.00 0.00 C ATOM 758 O ALA A 48 5.867 10.475 3.236 1.00 0.00 O ATOM 759 CB ALA A 48 2.819 9.444 3.527 1.00 0.00 C ATOM 0 H ALA A 48 2.351 11.147 5.349 1.00 0.00 H new ATOM 0 HA ALA A 48 4.475 9.200 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.314 8.965 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.212 8.709 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.180 10.249 3.165 1.00 0.00 H new ATOM 765 N MET A 49 4.523 12.228 3.593 1.00 0.00 N ATOM 766 CA MET A 49 5.306 13.128 2.740 1.00 0.00 C ATOM 767 C MET A 49 6.732 13.369 3.248 1.00 0.00 C ATOM 768 O MET A 49 7.560 13.908 2.521 1.00 0.00 O ATOM 769 CB MET A 49 4.610 14.467 2.474 1.00 0.00 C ATOM 770 CG MET A 49 3.150 14.293 2.051 1.00 0.00 C ATOM 771 SD MET A 49 2.416 15.761 1.293 1.00 0.00 S ATOM 772 CE MET A 49 3.197 15.661 -0.334 1.00 0.00 C ATOM 0 H MET A 49 3.728 12.670 4.054 1.00 0.00 H new ATOM 0 HA MET A 49 5.380 12.593 1.793 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.654 15.081 3.374 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.149 15.005 1.694 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.084 13.463 1.347 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.561 14.017 2.925 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.709 16.358 -1.015 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.253 15.918 -0.247 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.101 14.647 -0.722 1.00 0.00 H new ATOM 782 N GLU A 50 7.046 12.972 4.475 1.00 0.00 N ATOM 783 CA GLU A 50 8.392 12.972 5.024 1.00 0.00 C ATOM 784 C GLU A 50 9.368 12.073 4.236 1.00 0.00 C ATOM 785 O GLU A 50 10.581 12.279 4.338 1.00 0.00 O ATOM 786 CB GLU A 50 8.306 12.547 6.499 1.00 0.00 C ATOM 787 CG GLU A 50 7.753 11.121 6.673 1.00 0.00 C ATOM 788 CD GLU A 50 7.522 10.750 8.137 1.00 0.00 C ATOM 789 OE1 GLU A 50 6.899 11.524 8.897 1.00 0.00 O ATOM 790 OE2 GLU A 50 7.940 9.638 8.538 1.00 0.00 O ATOM 0 H GLU A 50 6.347 12.631 5.135 1.00 0.00 H new ATOM 0 HA GLU A 50 8.802 13.979 4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.297 12.606 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.669 13.248 7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.813 11.032 6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.449 10.410 6.228 1.00 0.00 H new ATOM 797 N TYR A 51 8.879 11.071 3.489 1.00 0.00 N ATOM 798 CA TYR A 51 9.714 10.032 2.883 1.00 0.00 C ATOM 799 C TYR A 51 10.635 10.584 1.787 1.00 0.00 C ATOM 800 O TYR A 51 10.288 11.531 1.069 1.00 0.00 O ATOM 801 CB TYR A 51 8.842 8.917 2.286 1.00 0.00 C ATOM 802 CG TYR A 51 7.886 8.179 3.208 1.00 0.00 C ATOM 803 CD1 TYR A 51 8.094 8.118 4.600 1.00 0.00 C ATOM 804 CD2 TYR A 51 6.770 7.530 2.647 1.00 0.00 C ATOM 805 CE1 TYR A 51 7.147 7.505 5.437 1.00 0.00 C ATOM 806 CE2 TYR A 51 5.826 6.898 3.474 1.00 0.00 C ATOM 807 CZ TYR A 51 5.993 6.919 4.875 1.00 0.00 C ATOM 808 OH TYR A 51 5.061 6.326 5.667 1.00 0.00 O ATOM 0 H TYR A 51 7.885 10.962 3.289 1.00 0.00 H new ATOM 0 HA TYR A 51 10.338 9.633 3.683 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.255 9.351 1.477 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.507 8.179 1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.989 8.546 5.027 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.639 7.518 1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.301 7.482 6.506 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.974 6.397 3.038 1.00 0.00 H new ATOM 0 HH TYR A 51 4.249 6.155 5.145 1.00 0.00 H new ATOM 818 N GLY A 52 11.784 9.919 1.616 1.00 0.00 N ATOM 819 CA GLY A 52 12.876 10.299 0.725 1.00 0.00 C ATOM 820 C GLY A 52 12.397 10.605 -0.683 1.00 0.00 C ATOM 821 O GLY A 52 12.761 11.637 -1.248 1.00 0.00 O ATOM 0 H GLY A 52 11.983 9.057 2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.384 11.174 1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.609 9.493 0.689 1.00 0.00 H new ATOM 825 N ILE A 53 11.538 9.752 -1.237 1.00 0.00 N ATOM 826 CA ILE A 53 10.680 10.133 -2.341 1.00 0.00 C ATOM 827 C ILE A 53 9.270 9.649 -2.038 1.00 0.00 C ATOM 828 O ILE A 53 8.824 8.592 -2.482 1.00 0.00 O ATOM 829 CB ILE A 53 11.265 9.785 -3.722 1.00 0.00 C ATOM 830 CG1 ILE A 53 10.250 10.144 -4.829 1.00 0.00 C ATOM 831 CG2 ILE A 53 11.769 8.340 -3.837 1.00 0.00 C ATOM 832 CD1 ILE A 53 10.940 10.540 -6.138 1.00 0.00 C ATOM 0 H ILE A 53 11.422 8.786 -0.931 1.00 0.00 H new ATOM 0 HA ILE A 53 10.619 11.218 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 53 12.159 10.394 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.594 9.292 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.619 10.966 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.166 8.172 -4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.555 8.169 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.944 7.651 -3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.187 10.784 -6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.575 11.409 -5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.550 9.709 -6.494 1.00 0.00 H new ATOM 844 N MET A 54 8.556 10.463 -1.264 1.00 0.00 N ATOM 845 CA MET A 54 7.132 10.303 -1.028 1.00 0.00 C ATOM 846 C MET A 54 6.336 10.231 -2.331 1.00 0.00 C ATOM 847 O MET A 54 5.374 9.471 -2.375 1.00 0.00 O ATOM 848 CB MET A 54 6.622 11.416 -0.104 1.00 0.00 C ATOM 849 CG MET A 54 6.934 12.854 -0.554 1.00 0.00 C ATOM 850 SD MET A 54 5.902 13.562 -1.865 1.00 0.00 S ATOM 851 CE MET A 54 6.778 15.136 -2.053 1.00 0.00 C ATOM 0 H MET A 54 8.961 11.263 -0.778 1.00 0.00 H new ATOM 0 HA MET A 54 6.978 9.347 -0.528 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.542 11.313 -0.004 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.050 11.264 0.887 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.861 13.503 0.319 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.971 12.884 -0.889 1.00 0.00 H new ATOM 0 HE1 MET A 54 6.293 15.732 -2.826 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.756 15.680 -1.109 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.813 14.945 -2.337 1.00 0.00 H new ATOM 861 N ALA A 55 6.757 10.952 -3.382 1.00 0.00 N ATOM 862 CA ALA A 55 6.106 11.106 -4.683 1.00 0.00 C ATOM 863 C ALA A 55 4.576 10.962 -4.589 1.00 0.00 C ATOM 864 O ALA A 55 3.927 11.780 -3.933 1.00 0.00 O ATOM 865 CB ALA A 55 6.777 10.175 -5.707 1.00 0.00 C ATOM 0 H ALA A 55 7.628 11.481 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 55 6.248 12.125 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.292 10.290 -6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.832 10.433 -5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.683 9.141 -5.375 1.00 0.00 H new ATOM 871 N VAL A 56 4.024 9.944 -5.244 1.00 0.00 N ATOM 872 CA VAL A 56 2.694 9.342 -5.126 1.00 0.00 C ATOM 873 C VAL A 56 2.670 8.180 -6.144 1.00 0.00 C ATOM 874 O VAL A 56 3.440 8.225 -7.112 1.00 0.00 O ATOM 875 CB VAL A 56 1.565 10.400 -5.314 1.00 0.00 C ATOM 876 CG1 VAL A 56 0.507 10.116 -6.394 1.00 0.00 C ATOM 877 CG2 VAL A 56 0.837 10.634 -3.978 1.00 0.00 C ATOM 0 H VAL A 56 4.565 9.460 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 56 2.499 8.950 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 56 2.104 11.279 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.217 10.931 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.993 10.034 -7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.006 9.182 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.050 11.375 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.398 9.698 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.548 10.996 -3.235 1.00 0.00 H new ATOM 887 N PRO A 57 1.772 7.185 -6.026 1.00 0.00 N ATOM 888 CA PRO A 57 0.953 6.867 -4.861 1.00 0.00 C ATOM 889 C PRO A 57 1.816 6.233 -3.768 1.00 0.00 C ATOM 890 O PRO A 57 2.416 5.187 -3.977 1.00 0.00 O ATOM 891 CB PRO A 57 -0.129 5.917 -5.370 1.00 0.00 C ATOM 892 CG PRO A 57 0.492 5.248 -6.577 1.00 0.00 C ATOM 893 CD PRO A 57 1.527 6.236 -7.101 1.00 0.00 C ATOM 0 HA PRO A 57 0.503 7.751 -4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.406 5.187 -4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.037 6.457 -5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.956 4.300 -6.305 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.260 5.029 -7.335 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.446 5.722 -7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.161 6.745 -7.992 1.00 0.00 H new ATOM 901 N THR A 58 1.880 6.875 -2.609 1.00 0.00 N ATOM 902 CA THR A 58 2.852 6.648 -1.556 1.00 0.00 C ATOM 903 C THR A 58 2.407 5.421 -0.755 1.00 0.00 C ATOM 904 O THR A 58 1.501 5.528 0.077 1.00 0.00 O ATOM 905 CB THR A 58 2.862 7.944 -0.719 1.00 0.00 C ATOM 906 OG1 THR A 58 2.862 9.103 -1.543 1.00 0.00 O ATOM 907 CG2 THR A 58 3.979 8.086 0.302 1.00 0.00 C ATOM 0 H THR A 58 1.215 7.610 -2.368 1.00 0.00 H new ATOM 0 HA THR A 58 3.860 6.442 -1.915 1.00 0.00 H new ATOM 0 HB THR A 58 1.938 7.857 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.785 9.394 -1.699 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.876 9.037 0.824 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.921 7.269 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.943 8.054 -0.206 1.00 0.00 H new ATOM 915 N ILE A 59 2.967 4.232 -1.010 1.00 0.00 N ATOM 916 CA ILE A 59 2.526 3.044 -0.287 1.00 0.00 C ATOM 917 C ILE A 59 3.667 2.662 0.650 1.00 0.00 C ATOM 918 O ILE A 59 4.836 2.836 0.305 1.00 0.00 O ATOM 919 CB ILE A 59 2.135 1.928 -1.288 1.00 0.00 C ATOM 920 CG1 ILE A 59 1.269 2.379 -2.486 1.00 0.00 C ATOM 921 CG2 ILE A 59 1.424 0.761 -0.575 1.00 0.00 C ATOM 922 CD1 ILE A 59 -0.015 3.142 -2.160 1.00 0.00 C ATOM 0 H ILE A 59 3.707 4.073 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 59 1.628 3.220 0.306 1.00 0.00 H new ATOM 0 HB ILE A 59 3.092 1.611 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.883 3.007 -3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.001 1.494 -3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.162 -0.006 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.088 0.335 0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.518 1.127 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.530 3.400 -3.085 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.664 2.517 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.232 4.053 -1.615 1.00 0.00 H new ATOM 934 N VAL A 60 3.379 2.027 1.778 1.00 0.00 N ATOM 935 CA VAL A 60 4.394 1.299 2.535 1.00 0.00 C ATOM 936 C VAL A 60 3.915 -0.139 2.626 1.00 0.00 C ATOM 937 O VAL A 60 2.705 -0.350 2.721 1.00 0.00 O ATOM 938 CB VAL A 60 4.788 1.977 3.873 1.00 0.00 C ATOM 939 CG1 VAL A 60 4.466 3.480 3.878 1.00 0.00 C ATOM 940 CG2 VAL A 60 4.249 1.291 5.136 1.00 0.00 C ATOM 0 H VAL A 60 2.447 2.000 2.192 1.00 0.00 H new ATOM 0 HA VAL A 60 5.355 1.314 2.021 1.00 0.00 H new ATOM 0 HB VAL A 60 5.870 1.853 3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.759 3.912 4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.014 3.972 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.396 3.623 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.579 1.840 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.160 1.276 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.625 0.269 5.184 1.00 0.00 H new ATOM 950 N ILE A 61 4.821 -1.111 2.513 1.00 0.00 N ATOM 951 CA ILE A 61 4.507 -2.534 2.634 1.00 0.00 C ATOM 952 C ILE A 61 5.557 -3.224 3.494 1.00 0.00 C ATOM 953 O ILE A 61 6.733 -2.861 3.420 1.00 0.00 O ATOM 954 CB ILE A 61 4.407 -3.214 1.252 1.00 0.00 C ATOM 955 CG1 ILE A 61 5.707 -3.025 0.429 1.00 0.00 C ATOM 956 CG2 ILE A 61 3.141 -2.719 0.524 1.00 0.00 C ATOM 957 CD1 ILE A 61 5.746 -3.766 -0.908 1.00 0.00 C ATOM 0 H ILE A 61 5.808 -0.928 2.332 1.00 0.00 H new ATOM 0 HA ILE A 61 3.533 -2.626 3.114 1.00 0.00 H new ATOM 0 HB ILE A 61 4.307 -4.291 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.847 -1.961 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.552 -3.355 1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.071 -3.200 -0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.260 -2.969 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.196 -1.638 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.696 -3.569 -1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.643 -4.837 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.927 -3.421 -1.539 1.00 0.00 H new ATOM 969 N ASN A 62 5.137 -4.231 4.269 1.00 0.00 N ATOM 970 CA ASN A 62 5.850 -4.832 5.401 1.00 0.00 C ATOM 971 C ASN A 62 6.188 -3.775 6.457 1.00 0.00 C ATOM 972 O ASN A 62 5.661 -3.861 7.570 1.00 0.00 O ATOM 973 CB ASN A 62 7.032 -5.688 4.919 1.00 0.00 C ATOM 974 CG ASN A 62 8.073 -5.946 5.995 1.00 0.00 C ATOM 975 OD1 ASN A 62 9.041 -5.198 6.112 1.00 0.00 O ATOM 976 ND2 ASN A 62 7.950 -7.016 6.755 1.00 0.00 N ATOM 0 H ASN A 62 4.233 -4.676 4.112 1.00 0.00 H new ATOM 0 HA ASN A 62 5.196 -5.537 5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.654 -6.643 4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.510 -5.191 4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.664 -7.232 7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.141 -7.628 6.647 1.00 0.00 H new ATOM 983 N GLY A 63 6.993 -2.784 6.093 1.00 0.00 N ATOM 984 CA GLY A 63 7.121 -1.487 6.729 1.00 0.00 C ATOM 985 C GLY A 63 7.847 -0.463 5.840 1.00 0.00 C ATOM 986 O GLY A 63 7.991 0.683 6.265 1.00 0.00 O ATOM 0 H GLY A 63 7.615 -2.876 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.129 -1.109 6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.664 -1.598 7.667 1.00 0.00 H new ATOM 990 N ASP A 64 8.379 -0.841 4.664 1.00 0.00 N ATOM 991 CA ASP A 64 9.142 0.061 3.794 1.00 0.00 C ATOM 992 C ASP A 64 8.343 0.805 2.731 1.00 0.00 C ATOM 993 O ASP A 64 7.298 0.322 2.289 1.00 0.00 O ATOM 994 CB ASP A 64 10.406 -0.597 3.241 1.00 0.00 C ATOM 995 CG ASP A 64 11.542 0.385 3.506 1.00 0.00 C ATOM 996 OD1 ASP A 64 12.080 0.351 4.641 1.00 0.00 O ATOM 997 OD2 ASP A 64 11.776 1.291 2.682 1.00 0.00 O ATOM 0 H ASP A 64 8.289 -1.786 4.292 1.00 0.00 H new ATOM 0 HA ASP A 64 9.455 0.862 4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.594 -1.553 3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.306 -0.799 2.175 1.00 0.00 H new ATOM 1002 N VAL A 65 8.848 1.963 2.297 1.00 0.00 N ATOM 1003 CA VAL A 65 8.097 3.001 1.591 1.00 0.00 C ATOM 1004 C VAL A 65 8.476 2.968 0.103 1.00 0.00 C ATOM 1005 O VAL A 65 9.663 2.882 -0.225 1.00 0.00 O ATOM 1006 CB VAL A 65 8.314 4.373 2.288 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.070 4.291 3.807 1.00 0.00 C ATOM 1008 CG2 VAL A 65 9.708 4.993 2.105 1.00 0.00 C ATOM 0 H VAL A 65 9.828 2.211 2.434 1.00 0.00 H new ATOM 0 HA VAL A 65 7.023 2.820 1.636 1.00 0.00 H new ATOM 0 HB VAL A 65 7.585 5.010 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.232 5.271 4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.045 3.972 3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.760 3.572 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.754 5.947 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.462 4.319 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.898 5.153 1.044 1.00 0.00 H new ATOM 1018 N GLU A 66 7.504 2.976 -0.818 1.00 0.00 N ATOM 1019 CA GLU A 66 7.708 2.642 -2.233 1.00 0.00 C ATOM 1020 C GLU A 66 6.372 2.802 -2.988 1.00 0.00 C ATOM 1021 O GLU A 66 5.297 2.887 -2.376 1.00 0.00 O ATOM 1022 CB GLU A 66 8.188 1.170 -2.323 1.00 0.00 C ATOM 1023 CG GLU A 66 8.959 0.740 -3.573 1.00 0.00 C ATOM 1024 CD GLU A 66 9.390 -0.727 -3.439 1.00 0.00 C ATOM 1025 OE1 GLU A 66 8.603 -1.527 -2.886 1.00 0.00 O ATOM 1026 OE2 GLU A 66 10.523 -1.061 -3.864 1.00 0.00 O ATOM 0 H GLU A 66 6.538 3.219 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 66 8.452 3.303 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.819 0.971 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.312 0.527 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.335 0.866 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.835 1.375 -3.708 1.00 0.00 H new ATOM 1033 N PHE A 67 6.412 2.800 -4.319 1.00 0.00 N ATOM 1034 CA PHE A 67 5.293 3.126 -5.203 1.00 0.00 C ATOM 1035 C PHE A 67 5.655 2.563 -6.570 1.00 0.00 C ATOM 1036 O PHE A 67 6.761 2.806 -7.054 1.00 0.00 O ATOM 1037 CB PHE A 67 5.125 4.647 -5.280 1.00 0.00 C ATOM 1038 CG PHE A 67 6.356 5.437 -5.685 1.00 0.00 C ATOM 1039 CD1 PHE A 67 7.324 5.761 -4.716 1.00 0.00 C ATOM 1040 CD2 PHE A 67 6.537 5.853 -7.016 1.00 0.00 C ATOM 1041 CE1 PHE A 67 8.475 6.472 -5.079 1.00 0.00 C ATOM 1042 CE2 PHE A 67 7.695 6.562 -7.382 1.00 0.00 C ATOM 1043 CZ PHE A 67 8.665 6.871 -6.411 1.00 0.00 C ATOM 0 H PHE A 67 7.260 2.561 -4.833 1.00 0.00 H new ATOM 0 HA PHE A 67 4.355 2.706 -4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.327 4.868 -5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.793 5.005 -4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.179 5.460 -3.689 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.786 5.628 -7.758 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.217 6.714 -4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.840 6.869 -8.407 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.555 7.415 -6.690 1.00 0.00 H new ATOM 1053 N ILE A 68 4.788 1.742 -7.150 1.00 0.00 N ATOM 1054 CA ILE A 68 5.031 1.068 -8.412 1.00 0.00 C ATOM 1055 C ILE A 68 3.722 1.060 -9.183 1.00 0.00 C ATOM 1056 O ILE A 68 2.783 0.367 -8.785 1.00 0.00 O ATOM 1057 CB ILE A 68 5.576 -0.363 -8.215 1.00 0.00 C ATOM 1058 CG1 ILE A 68 6.393 -0.499 -6.913 1.00 0.00 C ATOM 1059 CG2 ILE A 68 6.323 -0.731 -9.510 1.00 0.00 C ATOM 1060 CD1 ILE A 68 7.278 -1.720 -6.831 1.00 0.00 C ATOM 0 H ILE A 68 3.878 1.524 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 68 5.801 1.601 -8.970 1.00 0.00 H new ATOM 0 HB ILE A 68 4.776 -1.088 -8.064 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.015 0.389 -6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.702 -0.514 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.730 -1.739 -9.422 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.632 -0.691 -10.352 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.137 -0.025 -9.674 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.808 -1.722 -5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.666 -2.619 -6.907 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.999 -1.702 -7.648 1.00 0.00 H new ATOM 1072 N GLY A 69 3.653 1.849 -10.248 1.00 0.00 N ATOM 1073 CA GLY A 69 2.499 1.969 -11.116 1.00 0.00 C ATOM 1074 C GLY A 69 1.896 3.368 -11.007 1.00 0.00 C ATOM 1075 O GLY A 69 2.468 4.250 -10.364 1.00 0.00 O ATOM 0 H GLY A 69 4.430 2.443 -10.537 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.789 1.770 -12.148 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.753 1.222 -10.845 1.00 0.00 H new ATOM 1079 N ALA A 70 0.790 3.612 -11.709 1.00 0.00 N ATOM 1080 CA ALA A 70 -0.120 4.722 -11.436 1.00 0.00 C ATOM 1081 C ALA A 70 -1.235 4.364 -10.432 1.00 0.00 C ATOM 1082 O ALA A 70 -1.642 5.270 -9.698 1.00 0.00 O ATOM 1083 CB ALA A 70 -0.738 5.235 -12.737 1.00 0.00 C ATOM 0 H ALA A 70 0.497 3.034 -12.496 1.00 0.00 H new ATOM 0 HA ALA A 70 0.482 5.505 -10.974 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.414 6.062 -12.518 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.052 5.579 -13.404 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.294 4.430 -13.218 1.00 0.00 H new ATOM 1089 N PRO A 71 -1.762 3.117 -10.363 1.00 0.00 N ATOM 1090 CA PRO A 71 -2.494 2.662 -9.189 1.00 0.00 C ATOM 1091 C PRO A 71 -1.505 2.401 -8.046 1.00 0.00 C ATOM 1092 O PRO A 71 -0.328 2.758 -8.119 1.00 0.00 O ATOM 1093 CB PRO A 71 -3.267 1.415 -9.639 1.00 0.00 C ATOM 1094 CG PRO A 71 -2.357 0.807 -10.696 1.00 0.00 C ATOM 1095 CD PRO A 71 -1.660 2.012 -11.315 1.00 0.00 C ATOM 0 HA PRO A 71 -3.199 3.397 -8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.439 0.727 -8.811 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.244 1.672 -10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.641 0.113 -10.256 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.926 0.249 -11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.615 1.784 -11.526 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.126 2.279 -12.263 1.00 0.00 H new ATOM 1103 N THR A 72 -1.990 1.804 -6.960 1.00 0.00 N ATOM 1104 CA THR A 72 -1.213 1.385 -5.799 1.00 0.00 C ATOM 1105 C THR A 72 -0.137 0.348 -6.183 1.00 0.00 C ATOM 1106 O THR A 72 0.059 0.061 -7.360 1.00 0.00 O ATOM 1107 CB THR A 72 -2.230 0.875 -4.758 1.00 0.00 C ATOM 1108 OG1 THR A 72 -3.140 -0.057 -5.321 1.00 0.00 O ATOM 1109 CG2 THR A 72 -3.099 2.031 -4.248 1.00 0.00 C ATOM 0 H THR A 72 -2.982 1.590 -6.862 1.00 0.00 H new ATOM 0 HA THR A 72 -0.642 2.210 -5.373 1.00 0.00 H new ATOM 0 HB THR A 72 -1.641 0.416 -3.964 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.767 -0.359 -4.631 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.811 1.654 -3.514 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.464 2.786 -3.783 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.640 2.476 -5.083 1.00 0.00 H new ATOM 1117 N LYS A 73 0.606 -0.188 -5.204 1.00 0.00 N ATOM 1118 CA LYS A 73 1.883 -0.912 -5.359 1.00 0.00 C ATOM 1119 C LYS A 73 1.714 -2.312 -5.982 1.00 0.00 C ATOM 1120 O LYS A 73 2.379 -3.247 -5.551 1.00 0.00 O ATOM 1121 CB LYS A 73 2.545 -0.932 -3.982 1.00 0.00 C ATOM 1122 CG LYS A 73 3.972 -1.491 -3.978 1.00 0.00 C ATOM 1123 CD LYS A 73 4.917 -0.504 -3.307 1.00 0.00 C ATOM 1124 CE LYS A 73 4.631 -0.578 -1.794 1.00 0.00 C ATOM 1125 NZ LYS A 73 5.385 0.373 -0.947 1.00 0.00 N ATOM 0 H LYS A 73 0.319 -0.126 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 73 2.527 -0.400 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.564 0.083 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.932 -1.527 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.996 -2.445 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.299 -1.683 -5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.956 -0.758 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.753 0.506 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.566 -0.409 -1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.848 -1.590 -1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.968 0.396 0.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.378 0.069 -0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.340 1.323 -1.368 1.00 0.00 H new ATOM 1139 N GLU A 74 0.805 -2.493 -6.934 1.00 0.00 N ATOM 1140 CA GLU A 74 0.287 -3.772 -7.407 1.00 0.00 C ATOM 1141 C GLU A 74 1.434 -4.735 -7.745 1.00 0.00 C ATOM 1142 O GLU A 74 1.429 -5.872 -7.270 1.00 0.00 O ATOM 1143 CB GLU A 74 -0.676 -3.552 -8.590 1.00 0.00 C ATOM 1144 CG GLU A 74 -1.752 -2.482 -8.333 1.00 0.00 C ATOM 1145 CD GLU A 74 -3.101 -2.797 -8.986 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -3.903 -3.541 -8.369 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -3.392 -2.275 -10.087 1.00 0.00 O ATOM 0 H GLU A 74 0.385 -1.704 -7.425 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.287 -4.244 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.097 -3.266 -9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.167 -4.496 -8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.895 -2.374 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.394 -1.522 -8.705 1.00 0.00 H new ATOM 1154 N ALA A 75 2.461 -4.238 -8.446 1.00 0.00 N ATOM 1155 CA ALA A 75 3.664 -4.969 -8.832 1.00 0.00 C ATOM 1156 C ALA A 75 4.353 -5.668 -7.655 1.00 0.00 C ATOM 1157 O ALA A 75 4.769 -6.818 -7.775 1.00 0.00 O ATOM 1158 CB ALA A 75 4.655 -3.986 -9.465 1.00 0.00 C ATOM 0 H ALA A 75 2.472 -3.271 -8.772 1.00 0.00 H new ATOM 0 HA ALA A 75 3.356 -5.745 -9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.559 -4.519 -9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.202 -3.528 -10.345 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.909 -3.210 -8.743 1.00 0.00 H new ATOM 1164 N LEU A 76 4.534 -4.963 -6.535 1.00 0.00 N ATOM 1165 CA LEU A 76 5.238 -5.491 -5.366 1.00 0.00 C ATOM 1166 C LEU A 76 4.267 -6.175 -4.416 1.00 0.00 C ATOM 1167 O LEU A 76 4.653 -7.070 -3.683 1.00 0.00 O ATOM 1168 CB LEU A 76 5.980 -4.360 -4.627 1.00 0.00 C ATOM 1169 CG LEU A 76 7.443 -4.656 -4.253 1.00 0.00 C ATOM 1170 CD1 LEU A 76 7.584 -5.870 -3.343 1.00 0.00 C ATOM 1171 CD2 LEU A 76 8.337 -4.904 -5.469 1.00 0.00 C ATOM 0 H LEU A 76 4.195 -4.008 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 76 5.965 -6.225 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.957 -3.467 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.431 -4.125 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 76 7.765 -3.753 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.637 -6.031 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.032 -5.698 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.184 -6.750 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.355 -5.107 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.961 -5.760 -6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.333 -4.022 -6.109 1.00 0.00 H new ATOM 1183 N VAL A 77 3.001 -5.775 -4.413 1.00 0.00 N ATOM 1184 CA VAL A 77 1.933 -6.387 -3.635 1.00 0.00 C ATOM 1185 C VAL A 77 1.772 -7.855 -4.101 1.00 0.00 C ATOM 1186 O VAL A 77 1.735 -8.780 -3.279 1.00 0.00 O ATOM 1187 CB VAL A 77 0.730 -5.414 -3.743 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -0.655 -5.923 -3.376 1.00 0.00 C ATOM 1189 CG2 VAL A 77 0.998 -4.200 -2.831 1.00 0.00 C ATOM 0 H VAL A 77 2.679 -4.986 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 77 2.106 -6.505 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 77 0.684 -5.207 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.383 -5.122 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.918 -6.760 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.658 -6.252 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.161 -3.505 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.112 -4.537 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.911 -3.699 -3.152 1.00 0.00 H new ATOM 1199 N GLU A 78 1.872 -8.087 -5.414 1.00 0.00 N ATOM 1200 CA GLU A 78 1.947 -9.406 -6.044 1.00 0.00 C ATOM 1201 C GLU A 78 3.170 -10.221 -5.568 1.00 0.00 C ATOM 1202 O GLU A 78 3.212 -11.438 -5.760 1.00 0.00 O ATOM 1203 CB GLU A 78 1.981 -9.193 -7.566 1.00 0.00 C ATOM 1204 CG GLU A 78 1.571 -10.424 -8.381 1.00 0.00 C ATOM 1205 CD GLU A 78 1.939 -10.234 -9.851 1.00 0.00 C ATOM 1206 OE1 GLU A 78 1.296 -9.432 -10.561 1.00 0.00 O ATOM 1207 OE2 GLU A 78 2.896 -10.896 -10.316 1.00 0.00 O ATOM 0 H GLU A 78 1.904 -7.327 -6.094 1.00 0.00 H new ATOM 0 HA GLU A 78 1.074 -9.992 -5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.319 -8.365 -7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.989 -8.897 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.067 -11.311 -7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.498 -10.590 -8.286 1.00 0.00 H new ATOM 1214 N ALA A 79 4.147 -9.592 -4.904 1.00 0.00 N ATOM 1215 CA ALA A 79 5.208 -10.280 -4.188 1.00 0.00 C ATOM 1216 C ALA A 79 4.882 -10.408 -2.699 1.00 0.00 C ATOM 1217 O ALA A 79 5.035 -11.517 -2.189 1.00 0.00 O ATOM 1218 CB ALA A 79 6.552 -9.598 -4.393 1.00 0.00 C ATOM 0 H ALA A 79 4.217 -8.576 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 79 5.280 -11.285 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.322 -10.139 -3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.799 -9.593 -5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.499 -8.572 -4.028 1.00 0.00 H new ATOM 1224 N ILE A 80 4.388 -9.366 -2.009 1.00 0.00 N ATOM 1225 CA ILE A 80 4.099 -9.446 -0.574 1.00 0.00 C ATOM 1226 C ILE A 80 3.144 -10.581 -0.232 1.00 0.00 C ATOM 1227 O ILE A 80 3.237 -11.134 0.865 1.00 0.00 O ATOM 1228 CB ILE A 80 3.611 -8.120 0.047 1.00 0.00 C ATOM 1229 CG1 ILE A 80 2.084 -7.865 -0.053 1.00 0.00 C ATOM 1230 CG2 ILE A 80 4.439 -6.923 -0.431 1.00 0.00 C ATOM 1231 CD1 ILE A 80 1.618 -6.574 0.635 1.00 0.00 C ATOM 0 H ILE A 80 4.181 -8.458 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 80 5.065 -9.664 -0.119 1.00 0.00 H new ATOM 0 HB ILE A 80 3.786 -8.239 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.801 -7.826 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.556 -8.710 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.061 -6.011 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.482 -7.067 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.364 -6.838 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.539 -6.469 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.867 -6.616 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.116 -5.718 0.179 1.00 0.00 H new ATOM 1243 N LYS A 81 2.239 -10.946 -1.151 1.00 0.00 N ATOM 1244 CA LYS A 81 1.522 -12.215 -1.012 1.00 0.00 C ATOM 1245 C LYS A 81 2.497 -13.381 -0.800 1.00 0.00 C ATOM 1246 O LYS A 81 2.459 -14.044 0.233 1.00 0.00 O ATOM 1247 CB LYS A 81 0.562 -12.465 -2.189 1.00 0.00 C ATOM 1248 CG LYS A 81 1.079 -12.013 -3.562 1.00 0.00 C ATOM 1249 CD LYS A 81 0.575 -12.833 -4.757 1.00 0.00 C ATOM 1250 CE LYS A 81 1.521 -14.011 -5.023 1.00 0.00 C ATOM 1251 NZ LYS A 81 1.210 -14.705 -6.285 1.00 0.00 N ATOM 0 H LYS A 81 1.993 -10.397 -1.975 1.00 0.00 H new ATOM 0 HA LYS A 81 0.901 -12.146 -0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.340 -13.531 -2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.378 -11.952 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.797 -10.971 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.168 -12.050 -3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.431 -13.202 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.512 -12.200 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.549 -13.649 -5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.457 -14.719 -4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.875 -15.493 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.239 -15.075 -6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.296 -14.038 -7.078 1.00 0.00 H new ATOM 1265 N LYS A 82 3.344 -13.679 -1.787 1.00 0.00 N ATOM 1266 CA LYS A 82 4.225 -14.837 -1.727 1.00 0.00 C ATOM 1267 C LYS A 82 5.296 -14.688 -0.647 1.00 0.00 C ATOM 1268 O LYS A 82 5.361 -15.572 0.210 1.00 0.00 O ATOM 1269 CB LYS A 82 4.743 -15.261 -3.116 1.00 0.00 C ATOM 1270 CG LYS A 82 5.311 -14.205 -4.083 1.00 0.00 C ATOM 1271 CD LYS A 82 6.772 -13.786 -3.839 1.00 0.00 C ATOM 1272 CE LYS A 82 7.384 -13.293 -5.155 1.00 0.00 C ATOM 1273 NZ LYS A 82 8.842 -13.084 -5.062 1.00 0.00 N ATOM 0 H LYS A 82 3.435 -13.128 -2.641 1.00 0.00 H new ATOM 0 HA LYS A 82 3.629 -15.690 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.522 -16.007 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.922 -15.762 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.229 -14.590 -5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.684 -13.315 -4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.816 -12.998 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.344 -14.629 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.174 -14.017 -5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.905 -12.358 -5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.204 -12.751 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.045 -12.373 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.306 -13.980 -4.811 1.00 0.00 H new ATOM 1287 N ARG A 83 6.157 -13.666 -0.705 1.00 0.00 N ATOM 1288 CA ARG A 83 7.219 -13.367 0.261 1.00 0.00 C ATOM 1289 C ARG A 83 7.663 -11.902 0.112 1.00 0.00 C ATOM 1290 O ARG A 83 8.518 -11.649 -0.740 1.00 0.00 O ATOM 1291 CB ARG A 83 8.476 -14.240 0.067 1.00 0.00 C ATOM 1292 CG ARG A 83 8.414 -15.733 0.382 1.00 0.00 C ATOM 1293 CD ARG A 83 8.258 -16.572 -0.893 1.00 0.00 C ATOM 1294 NE ARG A 83 8.688 -17.956 -0.679 1.00 0.00 N ATOM 1295 CZ ARG A 83 7.961 -18.971 -0.217 1.00 0.00 C ATOM 1296 NH1 ARG A 83 6.690 -18.788 0.131 1.00 0.00 N ATOM 1297 NH2 ARG A 83 8.524 -20.170 -0.120 1.00 0.00 N ATOM 0 H ARG A 83 6.130 -12.989 -1.468 1.00 0.00 H new ATOM 0 HA ARG A 83 6.796 -13.571 1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.786 -14.139 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.269 -13.810 0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.321 -16.033 0.907 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.578 -15.930 1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.216 -16.559 -1.214 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.845 -16.127 -1.697 1.00 0.00 H new ATOM 0 HE ARG A 83 9.659 -18.167 -0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.265 -17.865 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.140 -19.571 0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.497 -20.301 -0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.983 -20.960 0.232 1.00 0.00 H new