USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 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 73 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -119:sc= 0.0466 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0469) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 95 SER OG : rot 76:sc= 0.26 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PHE A 38 -5.302 -27.973 5.481 1.00 0.00 N ATOM 88 CA PHE A 38 -5.778 -26.611 5.222 1.00 0.00 C ATOM 89 C PHE A 38 -5.558 -25.651 6.403 1.00 0.00 C ATOM 90 O PHE A 38 -5.578 -24.439 6.206 1.00 0.00 O ATOM 91 CB PHE A 38 -7.262 -26.655 4.835 1.00 0.00 C ATOM 92 CG PHE A 38 -7.566 -27.528 3.631 1.00 0.00 C ATOM 93 CD1 PHE A 38 -7.327 -27.041 2.331 1.00 0.00 C ATOM 94 CD2 PHE A 38 -8.078 -28.830 3.804 1.00 0.00 C ATOM 95 CE1 PHE A 38 -7.602 -27.848 1.212 1.00 0.00 C ATOM 96 CE2 PHE A 38 -8.344 -29.639 2.685 1.00 0.00 C ATOM 97 CZ PHE A 38 -8.111 -29.146 1.388 1.00 0.00 C ATOM 0 HA PHE A 38 -5.184 -26.214 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.837 -27.017 5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.602 -25.640 4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.932 -26.045 2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.266 -29.207 4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.422 -27.470 0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.727 -30.639 2.821 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.323 -29.765 0.528 1.00 0.00 H new ATOM 107 N ASP A 39 -5.298 -26.183 7.605 1.00 0.00 N ATOM 108 CA ASP A 39 -4.971 -25.459 8.835 1.00 0.00 C ATOM 109 C ASP A 39 -3.895 -24.382 8.620 1.00 0.00 C ATOM 110 O ASP A 39 -4.019 -23.282 9.153 1.00 0.00 O ATOM 111 CB ASP A 39 -4.493 -26.440 9.923 1.00 0.00 C ATOM 112 CG ASP A 39 -5.360 -27.691 10.094 1.00 0.00 C ATOM 113 OD1 ASP A 39 -6.600 -27.563 9.963 1.00 0.00 O ATOM 114 OD2 ASP A 39 -4.748 -28.773 10.277 1.00 0.00 O ATOM 0 H ASP A 39 -5.312 -27.192 7.750 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.885 -24.958 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.475 -26.751 9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.453 -25.911 10.875 1.00 0.00 H new ATOM 119 N GLU A 40 -2.870 -24.669 7.804 1.00 0.00 N ATOM 120 CA GLU A 40 -1.808 -23.707 7.481 1.00 0.00 C ATOM 121 C GLU A 40 -2.379 -22.460 6.807 1.00 0.00 C ATOM 122 O GLU A 40 -2.106 -21.331 7.227 1.00 0.00 O ATOM 123 CB GLU A 40 -0.753 -24.325 6.552 1.00 0.00 C ATOM 124 CG GLU A 40 -0.223 -25.671 7.045 1.00 0.00 C ATOM 125 CD GLU A 40 1.278 -25.819 6.792 1.00 0.00 C ATOM 126 OE1 GLU A 40 1.673 -25.761 5.604 1.00 0.00 O ATOM 127 OE2 GLU A 40 1.995 -26.021 7.797 1.00 0.00 O ATOM 0 H GLU A 40 -2.755 -25.575 7.350 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.340 -23.431 8.426 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.185 -24.455 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.081 -23.631 6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.423 -25.772 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.757 -26.478 6.543 1.00 0.00 H new ATOM 134 N LEU A 41 -3.211 -22.685 5.778 1.00 0.00 N ATOM 135 CA LEU A 41 -3.947 -21.639 5.085 1.00 0.00 C ATOM 136 C LEU A 41 -4.887 -20.929 6.055 1.00 0.00 C ATOM 137 O LEU A 41 -4.905 -19.705 6.058 1.00 0.00 O ATOM 138 CB LEU A 41 -4.714 -22.169 3.856 1.00 0.00 C ATOM 139 CG LEU A 41 -3.905 -22.239 2.545 1.00 0.00 C ATOM 140 CD1 LEU A 41 -3.428 -20.857 2.064 1.00 0.00 C ATOM 141 CD2 LEU A 41 -2.728 -23.215 2.639 1.00 0.00 C ATOM 0 H LEU A 41 -3.388 -23.618 5.405 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.218 -20.922 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.087 -23.167 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.584 -21.534 3.691 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.598 -22.622 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.864 -20.969 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.291 -20.215 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.790 -20.407 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.190 -23.228 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.054 -22.897 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.101 -24.215 2.858 1.00 0.00 H new ATOM 153 N GLN A 42 -5.620 -21.658 6.906 1.00 0.00 N ATOM 154 CA GLN A 42 -6.475 -21.043 7.928 1.00 0.00 C ATOM 155 C GLN A 42 -5.686 -20.145 8.892 1.00 0.00 C ATOM 156 O GLN A 42 -6.181 -19.092 9.283 1.00 0.00 O ATOM 157 CB GLN A 42 -7.285 -22.083 8.710 1.00 0.00 C ATOM 158 CG GLN A 42 -8.187 -22.932 7.801 1.00 0.00 C ATOM 159 CD GLN A 42 -9.385 -23.518 8.539 1.00 0.00 C ATOM 160 OE1 GLN A 42 -10.533 -23.287 8.188 1.00 0.00 O ATOM 161 NE2 GLN A 42 -9.161 -24.312 9.569 1.00 0.00 N ATOM 0 H GLN A 42 -5.638 -22.678 6.906 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.176 -20.410 7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.602 -22.737 9.252 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.899 -21.576 9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.541 -22.318 6.973 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.600 -23.743 7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.204 -24.507 9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.945 -24.731 10.070 1.00 0.00 H new ATOM 170 N GLY A 43 -4.445 -20.505 9.236 1.00 0.00 N ATOM 171 CA GLY A 43 -3.565 -19.678 10.053 1.00 0.00 C ATOM 172 C GLY A 43 -3.097 -18.435 9.303 1.00 0.00 C ATOM 173 O GLY A 43 -3.360 -17.322 9.748 1.00 0.00 O ATOM 0 H GLY A 43 -4.023 -21.389 8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.088 -19.379 10.962 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.699 -20.264 10.362 1.00 0.00 H new ATOM 177 N LEU A 44 -2.422 -18.589 8.158 1.00 0.00 N ATOM 178 CA LEU A 44 -1.949 -17.427 7.395 1.00 0.00 C ATOM 179 C LEU A 44 -3.105 -16.521 6.926 1.00 0.00 C ATOM 180 O LEU A 44 -2.950 -15.302 6.919 1.00 0.00 O ATOM 181 CB LEU A 44 -1.002 -17.868 6.261 1.00 0.00 C ATOM 182 CG LEU A 44 -1.693 -18.598 5.096 1.00 0.00 C ATOM 183 CD1 LEU A 44 -2.304 -17.644 4.053 1.00 0.00 C ATOM 184 CD2 LEU A 44 -0.734 -19.597 4.438 1.00 0.00 C ATOM 0 H LEU A 44 -2.193 -19.493 7.744 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.361 -16.798 8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.491 -16.988 5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.236 -18.522 6.679 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.531 -19.145 5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.775 -18.225 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.051 -17.012 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.519 -17.019 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.242 -20.102 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.137 -19.066 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.414 -20.334 5.175 1.00 0.00 H new ATOM 196 N VAL A 45 -4.281 -17.068 6.593 1.00 0.00 N ATOM 197 CA VAL A 45 -5.437 -16.265 6.167 1.00 0.00 C ATOM 198 C VAL A 45 -6.100 -15.530 7.351 1.00 0.00 C ATOM 199 O VAL A 45 -6.649 -14.443 7.183 1.00 0.00 O ATOM 200 CB VAL A 45 -6.446 -17.101 5.353 1.00 0.00 C ATOM 201 CG1 VAL A 45 -7.420 -17.879 6.239 1.00 0.00 C ATOM 202 CG2 VAL A 45 -7.241 -16.236 4.370 1.00 0.00 C ATOM 0 H VAL A 45 -4.459 -18.072 6.611 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.061 -15.491 5.498 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.844 -17.818 4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.106 -18.449 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.863 -18.562 6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.986 -17.182 6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.940 -16.863 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.794 -15.474 4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.556 -15.754 3.673 1.00 0.00 H new ATOM 212 N ASN A 46 -5.998 -16.077 8.570 1.00 0.00 N ATOM 213 CA ASN A 46 -6.591 -15.501 9.777 1.00 0.00 C ATOM 214 C ASN A 46 -5.562 -14.788 10.675 1.00 0.00 C ATOM 215 O ASN A 46 -5.930 -14.311 11.744 1.00 0.00 O ATOM 216 CB ASN A 46 -7.364 -16.600 10.522 1.00 0.00 C ATOM 217 CG ASN A 46 -8.334 -16.030 11.547 1.00 0.00 C ATOM 218 OD1 ASN A 46 -9.243 -15.283 11.218 1.00 0.00 O ATOM 219 ND2 ASN A 46 -8.163 -16.363 12.811 1.00 0.00 N ATOM 0 H ASN A 46 -5.493 -16.946 8.744 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.285 -14.714 9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.914 -17.206 9.802 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.658 -17.262 11.022 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.793 -15.996 13.525 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.401 -16.987 13.075 1.00 0.00 H new ATOM 226 N SER A 47 -4.300 -14.680 10.238 1.00 0.00 N ATOM 227 CA SER A 47 -3.205 -14.033 10.981 1.00 0.00 C ATOM 228 C SER A 47 -2.339 -13.132 10.094 1.00 0.00 C ATOM 229 O SER A 47 -2.050 -12.003 10.477 1.00 0.00 O ATOM 230 CB SER A 47 -2.319 -15.074 11.679 1.00 0.00 C ATOM 231 OG SER A 47 -3.067 -15.846 12.597 1.00 0.00 O ATOM 0 H SER A 47 -4.003 -15.049 9.335 1.00 0.00 H new ATOM 0 HA SER A 47 -3.681 -13.401 11.731 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.865 -15.728 10.934 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.504 -14.572 12.201 1.00 0.00 H new ATOM 0 HG SER A 47 -2.480 -16.503 13.027 1.00 0.00 H new ATOM 237 N THR A 48 -1.932 -13.600 8.907 1.00 0.00 N ATOM 238 CA THR A 48 -1.132 -12.822 7.945 1.00 0.00 C ATOM 239 C THR A 48 -2.037 -11.946 7.070 1.00 0.00 C ATOM 240 O THR A 48 -1.831 -10.736 6.988 1.00 0.00 O ATOM 241 CB THR A 48 -0.239 -13.746 7.085 1.00 0.00 C ATOM 242 OG1 THR A 48 0.275 -14.800 7.874 1.00 0.00 O ATOM 243 CG2 THR A 48 0.955 -13.000 6.483 1.00 0.00 C ATOM 0 H THR A 48 -2.151 -14.542 8.581 1.00 0.00 H new ATOM 0 HA THR A 48 -0.471 -12.163 8.508 1.00 0.00 H new ATOM 0 HB THR A 48 -0.870 -14.124 6.281 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.837 -15.380 7.319 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.553 -13.690 5.888 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.596 -12.190 5.848 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.568 -12.588 7.284 1.00 0.00 H new ATOM 251 N VAL A 49 -3.079 -12.534 6.464 1.00 0.00 N ATOM 252 CA VAL A 49 -4.074 -11.813 5.655 1.00 0.00 C ATOM 253 C VAL A 49 -4.965 -10.925 6.513 1.00 0.00 C ATOM 254 O VAL A 49 -5.167 -9.778 6.130 1.00 0.00 O ATOM 255 CB VAL A 49 -4.935 -12.773 4.818 1.00 0.00 C ATOM 256 CG1 VAL A 49 -6.204 -12.137 4.233 1.00 0.00 C ATOM 257 CG2 VAL A 49 -4.117 -13.401 3.686 1.00 0.00 C ATOM 0 H VAL A 49 -3.257 -13.537 6.523 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.512 -11.176 4.973 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.262 -13.540 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.753 -12.883 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.833 -11.769 5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.928 -11.307 3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.751 -14.075 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.736 -12.615 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.281 -13.960 4.108 1.00 0.00 H new ATOM 267 N THR A 50 -5.473 -11.401 7.663 1.00 0.00 N ATOM 268 CA THR A 50 -6.326 -10.583 8.549 1.00 0.00 C ATOM 269 C THR A 50 -5.706 -9.202 8.796 1.00 0.00 C ATOM 270 O THR A 50 -6.392 -8.187 8.703 1.00 0.00 O ATOM 271 CB THR A 50 -6.645 -11.315 9.867 1.00 0.00 C ATOM 272 OG1 THR A 50 -7.795 -10.768 10.472 1.00 0.00 O ATOM 273 CG2 THR A 50 -5.495 -11.292 10.876 1.00 0.00 C ATOM 0 H THR A 50 -5.309 -12.349 8.003 1.00 0.00 H new ATOM 0 HA THR A 50 -7.276 -10.426 8.038 1.00 0.00 H new ATOM 0 HB THR A 50 -6.814 -12.356 9.591 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.984 -11.246 11.307 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.792 -11.826 11.779 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.619 -11.774 10.441 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.253 -10.260 11.128 1.00 0.00 H new ATOM 281 N GLN A 51 -4.380 -9.156 9.000 1.00 0.00 N ATOM 282 CA GLN A 51 -3.635 -7.925 9.210 1.00 0.00 C ATOM 283 C GLN A 51 -3.627 -7.026 7.969 1.00 0.00 C ATOM 284 O GLN A 51 -3.768 -5.814 8.108 1.00 0.00 O ATOM 285 CB GLN A 51 -2.203 -8.247 9.662 1.00 0.00 C ATOM 286 CG GLN A 51 -1.689 -7.149 10.606 1.00 0.00 C ATOM 287 CD GLN A 51 -0.167 -7.097 10.659 1.00 0.00 C ATOM 288 OE1 GLN A 51 0.473 -6.385 9.903 1.00 0.00 O ATOM 289 NE2 GLN A 51 0.474 -7.828 11.551 1.00 0.00 N ATOM 0 H GLN A 51 -3.795 -9.991 9.022 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.142 -7.366 9.996 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.181 -9.212 10.168 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.549 -8.327 8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.072 -6.183 10.278 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.079 -7.323 11.609 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.049 -8.428 12.189 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.492 -7.793 11.602 1.00 0.00 H new ATOM 298 N ALA A 52 -3.507 -7.604 6.767 1.00 0.00 N ATOM 299 CA ALA A 52 -3.495 -6.892 5.491 1.00 0.00 C ATOM 300 C ALA A 52 -4.767 -6.051 5.293 1.00 0.00 C ATOM 301 O ALA A 52 -4.677 -4.880 4.917 1.00 0.00 O ATOM 302 CB ALA A 52 -3.311 -7.901 4.347 1.00 0.00 C ATOM 0 H ALA A 52 -3.413 -8.614 6.657 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.658 -6.194 5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.302 -7.373 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.367 -8.431 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.133 -8.616 4.357 1.00 0.00 H new ATOM 308 N ILE A 53 -5.942 -6.634 5.585 1.00 0.00 N ATOM 309 CA ILE A 53 -7.233 -5.932 5.531 1.00 0.00 C ATOM 310 C ILE A 53 -7.213 -4.741 6.494 1.00 0.00 C ATOM 311 O ILE A 53 -7.423 -3.603 6.069 1.00 0.00 O ATOM 312 CB ILE A 53 -8.434 -6.880 5.803 1.00 0.00 C ATOM 313 CG1 ILE A 53 -8.686 -7.879 4.648 1.00 0.00 C ATOM 314 CG2 ILE A 53 -9.725 -6.059 6.005 1.00 0.00 C ATOM 315 CD1 ILE A 53 -7.755 -9.089 4.655 1.00 0.00 C ATOM 0 H ILE A 53 -6.022 -7.611 5.867 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.376 -5.558 4.517 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.177 -7.444 6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -9.717 -8.228 4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.576 -7.355 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.560 -6.734 6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.600 -5.388 6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -9.928 -5.474 5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.997 -9.739 3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.722 -8.753 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.881 -9.639 5.587 1.00 0.00 H new ATOM 327 N LEU A 54 -6.939 -4.996 7.783 1.00 0.00 N ATOM 328 CA LEU A 54 -6.933 -3.975 8.837 1.00 0.00 C ATOM 329 C LEU A 54 -5.968 -2.837 8.486 1.00 0.00 C ATOM 330 O LEU A 54 -6.358 -1.671 8.536 1.00 0.00 O ATOM 331 CB LEU A 54 -6.532 -4.584 10.195 1.00 0.00 C ATOM 332 CG LEU A 54 -7.367 -5.797 10.656 1.00 0.00 C ATOM 333 CD1 LEU A 54 -6.571 -6.637 11.666 1.00 0.00 C ATOM 334 CD2 LEU A 54 -8.738 -5.414 11.231 1.00 0.00 C ATOM 0 H LEU A 54 -6.713 -5.930 8.125 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.945 -3.577 8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.486 -4.885 10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.603 -3.807 10.956 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.569 -6.391 9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.171 -7.490 11.983 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.653 -6.993 11.199 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.323 -6.025 12.533 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.270 -6.316 11.535 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.601 -4.765 12.096 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.317 -4.889 10.471 1.00 0.00 H new ATOM 346 N PHE A 55 -4.725 -3.185 8.115 1.00 0.00 N ATOM 347 CA PHE A 55 -3.673 -2.256 7.715 1.00 0.00 C ATOM 348 C PHE A 55 -4.122 -1.382 6.543 1.00 0.00 C ATOM 349 O PHE A 55 -4.062 -0.156 6.639 1.00 0.00 O ATOM 350 CB PHE A 55 -2.383 -3.024 7.389 1.00 0.00 C ATOM 351 CG PHE A 55 -1.159 -2.133 7.356 1.00 0.00 C ATOM 352 CD1 PHE A 55 -0.540 -1.769 8.567 1.00 0.00 C ATOM 353 CD2 PHE A 55 -0.647 -1.653 6.136 1.00 0.00 C ATOM 354 CE1 PHE A 55 0.587 -0.928 8.562 1.00 0.00 C ATOM 355 CE2 PHE A 55 0.482 -0.812 6.131 1.00 0.00 C ATOM 356 CZ PHE A 55 1.098 -0.450 7.343 1.00 0.00 C ATOM 0 H PHE A 55 -4.421 -4.158 8.087 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.466 -1.586 8.550 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.235 -3.808 8.132 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.494 -3.517 6.423 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.932 -2.137 9.503 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.120 -1.929 5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.059 -0.650 9.493 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.876 -0.444 5.195 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.964 0.195 7.337 1.00 0.00 H new ATOM 366 N GLY A 56 -4.631 -1.999 5.468 1.00 0.00 N ATOM 367 CA GLY A 56 -5.196 -1.295 4.321 1.00 0.00 C ATOM 368 C GLY A 56 -6.277 -0.284 4.705 1.00 0.00 C ATOM 369 O GLY A 56 -6.234 0.854 4.235 1.00 0.00 O ATOM 0 H GLY A 56 -4.660 -3.014 5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.396 -0.778 3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.619 -2.023 3.629 1.00 0.00 H new ATOM 373 N VAL A 57 -7.210 -0.682 5.581 1.00 0.00 N ATOM 374 CA VAL A 57 -8.309 0.170 6.062 1.00 0.00 C ATOM 375 C VAL A 57 -7.767 1.405 6.782 1.00 0.00 C ATOM 376 O VAL A 57 -7.986 2.526 6.318 1.00 0.00 O ATOM 377 CB VAL A 57 -9.282 -0.619 6.967 1.00 0.00 C ATOM 378 CG1 VAL A 57 -10.371 0.297 7.549 1.00 0.00 C ATOM 379 CG2 VAL A 57 -9.967 -1.775 6.220 1.00 0.00 C ATOM 0 H VAL A 57 -7.223 -1.620 5.982 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.872 0.506 5.191 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.673 -1.031 7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.039 -0.288 8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.906 1.083 8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.941 0.746 6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.640 -2.298 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.536 -1.378 5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.211 -2.469 5.852 1.00 0.00 H new ATOM 389 N ARG A 58 -7.059 1.213 7.910 1.00 0.00 N ATOM 390 CA ARG A 58 -6.506 2.324 8.705 1.00 0.00 C ATOM 391 C ARG A 58 -5.610 3.236 7.858 1.00 0.00 C ATOM 392 O ARG A 58 -5.705 4.455 7.968 1.00 0.00 O ATOM 393 CB ARG A 58 -5.791 1.808 9.971 1.00 0.00 C ATOM 394 CG ARG A 58 -4.572 0.920 9.675 1.00 0.00 C ATOM 395 CD ARG A 58 -3.934 0.324 10.929 1.00 0.00 C ATOM 396 NE ARG A 58 -2.873 1.201 11.449 1.00 0.00 N ATOM 397 CZ ARG A 58 -2.224 1.066 12.597 1.00 0.00 C ATOM 398 NH1 ARG A 58 -2.527 0.125 13.462 1.00 0.00 N ATOM 399 NH2 ARG A 58 -1.242 1.883 12.893 1.00 0.00 N ATOM 0 H ARG A 58 -6.855 0.290 8.294 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.342 2.937 9.042 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.471 2.661 10.570 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.502 1.244 10.574 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.875 0.110 9.011 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.825 1.508 9.141 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.696 0.177 11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.519 -0.657 10.699 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.610 1.995 10.866 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.282 -0.530 13.259 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.007 0.049 14.336 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.978 2.621 12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.742 1.780 13.776 1.00 0.00 H new ATOM 413 N SER A 59 -4.784 2.643 6.988 1.00 0.00 N ATOM 414 CA SER A 59 -3.857 3.363 6.119 1.00 0.00 C ATOM 415 C SER A 59 -4.593 4.216 5.081 1.00 0.00 C ATOM 416 O SER A 59 -4.292 5.402 4.946 1.00 0.00 O ATOM 417 CB SER A 59 -2.911 2.377 5.433 1.00 0.00 C ATOM 418 OG SER A 59 -1.869 3.078 4.787 1.00 0.00 O ATOM 0 H SER A 59 -4.743 1.631 6.869 1.00 0.00 H new ATOM 0 HA SER A 59 -3.276 4.043 6.741 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.496 1.687 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.461 1.777 4.708 1.00 0.00 H new ATOM 0 HG SER A 59 -1.895 2.889 3.826 1.00 0.00 H new ATOM 424 N GLY A 60 -5.553 3.633 4.349 1.00 0.00 N ATOM 425 CA GLY A 60 -6.361 4.360 3.368 1.00 0.00 C ATOM 426 C GLY A 60 -7.169 5.492 4.008 1.00 0.00 C ATOM 427 O GLY A 60 -7.178 6.613 3.493 1.00 0.00 O ATOM 0 H GLY A 60 -5.789 2.643 4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.710 4.772 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.040 3.666 2.874 1.00 0.00 H new ATOM 431 N ALA A 61 -7.793 5.227 5.162 1.00 0.00 N ATOM 432 CA ALA A 61 -8.501 6.242 5.939 1.00 0.00 C ATOM 433 C ALA A 61 -7.574 7.391 6.373 1.00 0.00 C ATOM 434 O ALA A 61 -7.912 8.557 6.152 1.00 0.00 O ATOM 435 CB ALA A 61 -9.174 5.575 7.142 1.00 0.00 C ATOM 0 H ALA A 61 -7.819 4.298 5.582 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.265 6.694 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.704 6.328 7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.881 4.823 6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.417 5.099 7.765 1.00 0.00 H new ATOM 441 N ALA A 62 -6.402 7.073 6.948 1.00 0.00 N ATOM 442 CA ALA A 62 -5.388 8.057 7.329 1.00 0.00 C ATOM 443 C ALA A 62 -4.923 8.909 6.133 1.00 0.00 C ATOM 444 O ALA A 62 -4.815 10.130 6.255 1.00 0.00 O ATOM 445 CB ALA A 62 -4.213 7.351 8.011 1.00 0.00 C ATOM 0 H ALA A 62 -6.134 6.112 7.162 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.839 8.752 8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.460 8.087 8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.567 6.834 8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.774 6.628 7.323 1.00 0.00 H new ATOM 451 N ALA A 63 -4.708 8.293 4.963 1.00 0.00 N ATOM 452 CA ALA A 63 -4.434 9.021 3.726 1.00 0.00 C ATOM 453 C ALA A 63 -5.568 10.002 3.375 1.00 0.00 C ATOM 454 O ALA A 63 -5.304 11.188 3.179 1.00 0.00 O ATOM 455 CB ALA A 63 -4.126 8.031 2.598 1.00 0.00 C ATOM 0 H ALA A 63 -4.720 7.279 4.852 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.550 9.642 3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.923 8.579 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.254 7.435 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.982 7.374 2.447 1.00 0.00 H new ATOM 461 N LEU A 64 -6.827 9.545 3.337 1.00 0.00 N ATOM 462 CA LEU A 64 -7.984 10.397 3.033 1.00 0.00 C ATOM 463 C LEU A 64 -8.073 11.631 3.939 1.00 0.00 C ATOM 464 O LEU A 64 -8.176 12.748 3.428 1.00 0.00 O ATOM 465 CB LEU A 64 -9.264 9.547 3.047 1.00 0.00 C ATOM 466 CG LEU A 64 -10.576 10.364 2.960 1.00 0.00 C ATOM 467 CD1 LEU A 64 -11.620 9.577 2.167 1.00 0.00 C ATOM 468 CD2 LEU A 64 -11.142 10.708 4.348 1.00 0.00 C ATOM 0 H LEU A 64 -7.072 8.571 3.517 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.856 10.805 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.230 8.847 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.281 8.952 3.960 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.343 11.302 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.543 10.154 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.245 9.386 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.817 8.628 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.062 11.281 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.353 9.788 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.413 11.299 4.902 1.00 0.00 H new ATOM 480 N THR A 65 -8.039 11.444 5.266 1.00 0.00 N ATOM 481 CA THR A 65 -8.104 12.569 6.213 1.00 0.00 C ATOM 482 C THR A 65 -6.946 13.550 5.999 1.00 0.00 C ATOM 483 O THR A 65 -7.169 14.757 6.019 1.00 0.00 O ATOM 484 CB THR A 65 -8.226 12.098 7.674 1.00 0.00 C ATOM 485 OG1 THR A 65 -8.353 13.185 8.563 1.00 0.00 O ATOM 486 CG2 THR A 65 -7.053 11.255 8.150 1.00 0.00 C ATOM 0 H THR A 65 -7.967 10.528 5.708 1.00 0.00 H new ATOM 0 HA THR A 65 -9.022 13.117 6.002 1.00 0.00 H new ATOM 0 HB THR A 65 -9.124 11.481 7.680 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.430 12.850 9.481 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.213 10.962 9.188 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.971 10.363 7.530 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.133 11.835 8.074 1.00 0.00 H new ATOM 494 N LEU A 66 -5.721 13.072 5.736 1.00 0.00 N ATOM 495 CA LEU A 66 -4.585 13.963 5.470 1.00 0.00 C ATOM 496 C LEU A 66 -4.790 14.775 4.171 1.00 0.00 C ATOM 497 O LEU A 66 -4.460 15.962 4.135 1.00 0.00 O ATOM 498 CB LEU A 66 -3.261 13.160 5.533 1.00 0.00 C ATOM 499 CG LEU A 66 -2.559 12.913 4.183 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.716 14.122 3.747 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.709 11.648 4.184 1.00 0.00 C ATOM 0 H LEU A 66 -5.493 12.078 5.702 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.519 14.720 6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.569 13.688 6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.466 12.195 5.996 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.358 12.770 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.238 13.907 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.359 14.996 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.952 14.322 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.239 11.525 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.938 11.728 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.341 10.785 4.394 1.00 0.00 H new ATOM 513 N ILE A 67 -5.350 14.153 3.120 1.00 0.00 N ATOM 514 CA ILE A 67 -5.577 14.788 1.816 1.00 0.00 C ATOM 515 C ILE A 67 -6.468 16.014 2.008 1.00 0.00 C ATOM 516 O ILE A 67 -6.057 17.130 1.689 1.00 0.00 O ATOM 517 CB ILE A 67 -6.180 13.785 0.803 1.00 0.00 C ATOM 518 CG1 ILE A 67 -5.154 12.708 0.386 1.00 0.00 C ATOM 519 CG2 ILE A 67 -6.703 14.485 -0.464 1.00 0.00 C ATOM 520 CD1 ILE A 67 -5.825 11.406 -0.079 1.00 0.00 C ATOM 0 H ILE A 67 -5.661 13.182 3.155 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.624 15.112 1.397 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.016 13.310 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.529 13.098 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.495 12.493 1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.117 13.742 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.480 15.199 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.883 15.010 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.060 10.683 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.429 10.998 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.463 11.612 -0.938 1.00 0.00 H new ATOM 532 N VAL A 68 -7.669 15.813 2.570 1.00 0.00 N ATOM 533 CA VAL A 68 -8.599 16.918 2.836 1.00 0.00 C ATOM 534 C VAL A 68 -7.946 17.990 3.711 1.00 0.00 C ATOM 535 O VAL A 68 -8.023 19.162 3.355 1.00 0.00 O ATOM 536 CB VAL A 68 -9.953 16.455 3.413 1.00 0.00 C ATOM 537 CG1 VAL A 68 -10.733 15.636 2.374 1.00 0.00 C ATOM 538 CG2 VAL A 68 -9.825 15.641 4.703 1.00 0.00 C ATOM 0 H VAL A 68 -8.018 14.896 2.849 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.830 17.363 1.868 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.494 17.368 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.685 15.319 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.917 16.249 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.152 14.758 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.817 15.350 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.231 14.747 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.336 16.245 5.467 1.00 0.00 H new ATOM 548 N VAL A 69 -7.231 17.613 4.783 1.00 0.00 N ATOM 549 CA VAL A 69 -6.516 18.559 5.658 1.00 0.00 C ATOM 550 C VAL A 69 -5.586 19.456 4.841 1.00 0.00 C ATOM 551 O VAL A 69 -5.657 20.674 4.982 1.00 0.00 O ATOM 552 CB VAL A 69 -5.746 17.826 6.777 1.00 0.00 C ATOM 553 CG1 VAL A 69 -4.832 18.759 7.585 1.00 0.00 C ATOM 554 CG2 VAL A 69 -6.698 17.147 7.774 1.00 0.00 C ATOM 0 H VAL A 69 -7.132 16.639 5.069 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.260 19.193 6.140 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.140 17.084 6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.318 18.186 8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.097 19.214 6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.431 19.540 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.117 16.642 8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.338 17.899 8.235 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.315 16.418 7.249 1.00 0.00 H new ATOM 564 N TRP A 70 -4.750 18.897 3.960 1.00 0.00 N ATOM 565 CA TRP A 70 -3.891 19.711 3.096 1.00 0.00 C ATOM 566 C TRP A 70 -4.693 20.643 2.167 1.00 0.00 C ATOM 567 O TRP A 70 -4.299 21.793 1.981 1.00 0.00 O ATOM 568 CB TRP A 70 -2.921 18.809 2.322 1.00 0.00 C ATOM 569 CG TRP A 70 -2.110 19.498 1.262 1.00 0.00 C ATOM 570 CD1 TRP A 70 -1.964 19.054 -0.007 1.00 0.00 C ATOM 571 CD2 TRP A 70 -1.400 20.780 1.318 1.00 0.00 C ATOM 572 NE1 TRP A 70 -1.238 19.972 -0.741 1.00 0.00 N ATOM 573 CE2 TRP A 70 -0.878 21.061 0.020 1.00 0.00 C ATOM 574 CE3 TRP A 70 -1.171 21.756 2.313 1.00 0.00 C ATOM 575 CZ2 TRP A 70 -0.184 22.242 -0.281 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -0.496 22.956 2.015 1.00 0.00 C ATOM 577 CH2 TRP A 70 -0.001 23.202 0.727 1.00 0.00 C ATOM 0 H TRP A 70 -4.650 17.891 3.827 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.307 20.374 3.734 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.238 18.343 3.033 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.492 18.006 1.855 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.356 18.123 -0.389 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.998 19.857 -1.726 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.519 21.579 3.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.204 22.411 -1.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.358 23.696 2.789 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.518 24.124 0.511 1.00 0.00 H new ATOM 588 N ILE A 71 -5.840 20.194 1.643 1.00 0.00 N ATOM 589 CA ILE A 71 -6.722 20.996 0.779 1.00 0.00 C ATOM 590 C ILE A 71 -7.298 22.224 1.517 1.00 0.00 C ATOM 591 O ILE A 71 -7.357 23.307 0.933 1.00 0.00 O ATOM 592 CB ILE A 71 -7.812 20.087 0.137 1.00 0.00 C ATOM 593 CG1 ILE A 71 -7.342 19.504 -1.219 1.00 0.00 C ATOM 594 CG2 ILE A 71 -9.149 20.813 -0.106 1.00 0.00 C ATOM 595 CD1 ILE A 71 -6.235 18.448 -1.126 1.00 0.00 C ATOM 0 H ILE A 71 -6.189 19.250 1.808 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.130 21.412 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.971 19.292 0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.201 19.063 -1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.989 20.323 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.862 20.122 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.544 21.176 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.988 21.656 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.977 18.103 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.355 18.884 -0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.586 17.605 -0.531 1.00 0.00 H new ATOM 607 N THR A 72 -7.719 22.074 2.780 1.00 0.00 N ATOM 608 CA THR A 72 -8.377 23.138 3.572 1.00 0.00 C ATOM 609 C THR A 72 -7.437 23.783 4.589 1.00 0.00 C ATOM 610 O THR A 72 -7.138 24.970 4.471 1.00 0.00 O ATOM 611 CB THR A 72 -9.695 22.670 4.230 1.00 0.00 C ATOM 612 OG1 THR A 72 -10.007 23.440 5.367 1.00 0.00 O ATOM 613 CG2 THR A 72 -9.716 21.209 4.678 1.00 0.00 C ATOM 0 H THR A 72 -7.613 21.199 3.294 1.00 0.00 H new ATOM 0 HA THR A 72 -8.644 23.912 2.853 1.00 0.00 H new ATOM 0 HB THR A 72 -10.426 22.796 3.431 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.846 23.120 5.759 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.683 20.980 5.126 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.553 20.562 3.816 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.927 21.042 5.411 1.00 0.00 H new ATOM 621 N SER A 73 -6.957 23.013 5.574 1.00 0.00 N ATOM 622 CA SER A 73 -6.069 23.468 6.649 1.00 0.00 C ATOM 623 C SER A 73 -4.779 24.080 6.115 1.00 0.00 C ATOM 624 O SER A 73 -4.155 24.875 6.815 1.00 0.00 O ATOM 625 CB SER A 73 -5.705 22.292 7.566 1.00 0.00 C ATOM 626 OG SER A 73 -5.259 22.755 8.824 1.00 0.00 O ATOM 0 H SER A 73 -7.185 22.021 5.646 1.00 0.00 H new ATOM 0 HA SER A 73 -6.612 24.235 7.201 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.573 21.646 7.698 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.927 21.688 7.099 1.00 0.00 H new ATOM 0 HG SER A 73 -5.034 21.990 9.393 1.00 0.00 H new ATOM 632 N ARG A 74 -4.375 23.695 4.892 1.00 0.00 N ATOM 633 CA ARG A 74 -3.205 24.215 4.176 1.00 0.00 C ATOM 634 C ARG A 74 -1.927 24.167 5.025 1.00 0.00 C ATOM 635 O ARG A 74 -1.038 25.009 4.882 1.00 0.00 O ATOM 636 CB ARG A 74 -3.537 25.618 3.619 1.00 0.00 C ATOM 637 CG ARG A 74 -3.133 25.781 2.140 1.00 0.00 C ATOM 638 CD ARG A 74 -4.317 26.229 1.270 1.00 0.00 C ATOM 639 NE ARG A 74 -4.412 27.701 1.182 1.00 0.00 N ATOM 640 CZ ARG A 74 -5.485 28.414 0.866 1.00 0.00 C ATOM 641 NH1 ARG A 74 -6.654 27.852 0.658 1.00 0.00 N ATOM 642 NH2 ARG A 74 -5.391 29.721 0.751 1.00 0.00 N ATOM 0 H ARG A 74 -4.876 22.985 4.358 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.981 23.566 3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.606 25.802 3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.025 26.372 4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.328 26.512 2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.743 24.835 1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.210 25.812 0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.243 25.830 1.684 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.561 28.225 1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.755 26.840 0.738 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.461 28.427 0.416 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.495 30.183 0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.214 30.272 0.508 1.00 0.00 H new ATOM 656 N SER A 75 -1.859 23.163 5.909 1.00 0.00 N ATOM 657 CA SER A 75 -0.741 22.901 6.806 1.00 0.00 C ATOM 658 C SER A 75 0.570 22.777 6.035 1.00 0.00 C ATOM 659 O SER A 75 0.576 22.568 4.824 1.00 0.00 O ATOM 660 CB SER A 75 -1.024 21.628 7.615 1.00 0.00 C ATOM 661 OG SER A 75 -1.890 21.949 8.685 1.00 0.00 O ATOM 0 H SER A 75 -2.615 22.487 6.018 1.00 0.00 H new ATOM 0 HA SER A 75 -0.634 23.743 7.490 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.478 20.869 6.977 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.093 21.209 7.996 1.00 0.00 H new ATOM 0 HG SER A 75 -2.078 21.141 9.207 1.00 0.00 H new ATOM 667 N ARG A 76 1.697 22.886 6.748 1.00 0.00 N ATOM 668 CA ARG A 76 3.035 22.801 6.156 1.00 0.00 C ATOM 669 C ARG A 76 3.133 21.627 5.184 1.00 0.00 C ATOM 670 O ARG A 76 2.778 20.503 5.542 1.00 0.00 O ATOM 671 CB ARG A 76 4.085 22.646 7.258 1.00 0.00 C ATOM 672 CG ARG A 76 4.487 23.999 7.847 1.00 0.00 C ATOM 673 CD ARG A 76 5.323 23.745 9.100 1.00 0.00 C ATOM 674 NE ARG A 76 6.013 24.957 9.563 1.00 0.00 N ATOM 675 CZ ARG A 76 6.953 24.995 10.498 1.00 0.00 C ATOM 676 NH1 ARG A 76 7.312 23.922 11.167 1.00 0.00 N ATOM 677 NH2 ARG A 76 7.568 26.118 10.772 1.00 0.00 N ATOM 0 H ARG A 76 1.705 23.036 7.757 1.00 0.00 H new ATOM 0 HA ARG A 76 3.219 23.722 5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.692 22.007 8.049 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.966 22.148 6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.058 24.576 7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.601 24.585 8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.678 23.370 9.895 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.058 22.967 8.893 1.00 0.00 H new ATOM 0 HE ARG A 76 5.747 25.841 9.130 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.864 23.026 10.973 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.039 23.985 11.880 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.325 26.969 10.265 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.290 26.142 11.492 1.00 0.00 H new ATOM 691 N LYS A 77 3.640 21.916 3.978 1.00 0.00 N ATOM 692 CA LYS A 77 3.878 20.944 2.910 1.00 0.00 C ATOM 693 C LYS A 77 4.507 19.675 3.488 1.00 0.00 C ATOM 694 O LYS A 77 5.586 19.703 4.085 1.00 0.00 O ATOM 695 CB LYS A 77 4.699 21.572 1.769 1.00 0.00 C ATOM 696 CG LYS A 77 6.108 22.019 2.195 1.00 0.00 C ATOM 697 CD LYS A 77 6.769 22.927 1.151 1.00 0.00 C ATOM 698 CE LYS A 77 8.166 23.351 1.622 1.00 0.00 C ATOM 699 NZ LYS A 77 9.129 22.224 1.570 1.00 0.00 N ATOM 0 H LYS A 77 3.903 22.865 3.713 1.00 0.00 H new ATOM 0 HA LYS A 77 2.928 20.649 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.786 20.851 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.158 22.432 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.047 22.547 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.732 21.140 2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.843 22.403 0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.151 23.809 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.528 24.168 0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.106 23.732 2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.088 22.577 1.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.871 21.513 2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.105 21.790 0.625 1.00 0.00 H new ATOM 713 N THR A 78 3.763 18.579 3.386 1.00 0.00 N ATOM 714 CA THR A 78 4.166 17.271 3.888 1.00 0.00 C ATOM 715 C THR A 78 5.438 16.795 3.175 1.00 0.00 C ATOM 716 O THR A 78 5.713 17.210 2.046 1.00 0.00 O ATOM 717 CB THR A 78 3.017 16.257 3.723 1.00 0.00 C ATOM 718 OG1 THR A 78 2.067 16.691 2.775 1.00 0.00 O ATOM 719 CG2 THR A 78 2.257 16.066 5.036 1.00 0.00 C ATOM 0 H THR A 78 2.844 18.575 2.943 1.00 0.00 H new ATOM 0 HA THR A 78 4.390 17.353 4.952 1.00 0.00 H new ATOM 0 HB THR A 78 3.487 15.328 3.399 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.355 16.022 2.696 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.452 15.345 4.889 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.940 15.697 5.801 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.836 17.020 5.355 1.00 0.00 H new ATOM 727 N PRO A 79 6.238 15.926 3.818 1.00 0.00 N ATOM 728 CA PRO A 79 7.478 15.444 3.228 1.00 0.00 C ATOM 729 C PRO A 79 7.197 14.570 2.000 1.00 0.00 C ATOM 730 O PRO A 79 6.178 13.880 1.920 1.00 0.00 O ATOM 731 CB PRO A 79 8.198 14.686 4.350 1.00 0.00 C ATOM 732 CG PRO A 79 7.070 14.255 5.280 1.00 0.00 C ATOM 733 CD PRO A 79 6.025 15.355 5.138 1.00 0.00 C ATOM 0 HA PRO A 79 8.104 16.255 2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.748 13.828 3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.919 15.322 4.864 1.00 0.00 H new ATOM 0 HG2 PRO A 79 6.667 13.284 4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.416 14.165 6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.016 14.953 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.142 16.110 5.916 1.00 0.00 H new ATOM 849 N VAL A 86 1.569 7.707 0.496 1.00 0.00 N ATOM 850 CA VAL A 86 0.111 7.780 0.343 1.00 0.00 C ATOM 851 C VAL A 86 -0.285 7.660 -1.127 1.00 0.00 C ATOM 852 O VAL A 86 -1.202 6.903 -1.421 1.00 0.00 O ATOM 853 CB VAL A 86 -0.500 9.027 1.018 1.00 0.00 C ATOM 854 CG1 VAL A 86 -0.149 9.044 2.520 1.00 0.00 C ATOM 855 CG2 VAL A 86 -0.101 10.343 0.343 1.00 0.00 C ATOM 0 HA VAL A 86 -0.314 6.927 0.872 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.581 8.951 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.585 9.928 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.548 8.149 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.934 9.068 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.566 11.177 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.983 10.453 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.436 10.336 -0.694 1.00 0.00 H new ATOM 865 N SER A 87 0.428 8.320 -2.054 1.00 0.00 N ATOM 866 CA SER A 87 0.196 8.216 -3.498 1.00 0.00 C ATOM 867 C SER A 87 0.220 6.762 -3.960 1.00 0.00 C ATOM 868 O SER A 87 -0.782 6.290 -4.493 1.00 0.00 O ATOM 869 CB SER A 87 1.217 9.030 -4.303 1.00 0.00 C ATOM 870 OG SER A 87 0.929 10.416 -4.272 1.00 0.00 O ATOM 0 H SER A 87 1.193 8.950 -1.814 1.00 0.00 H new ATOM 0 HA SER A 87 -0.795 8.631 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.216 8.858 -3.902 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.224 8.684 -5.336 1.00 0.00 H new ATOM 0 HG SER A 87 1.601 10.902 -4.794 1.00 0.00 H new ATOM 876 N LEU A 88 1.324 6.038 -3.724 1.00 0.00 N ATOM 877 CA LEU A 88 1.396 4.617 -4.067 1.00 0.00 C ATOM 878 C LEU A 88 0.236 3.843 -3.444 1.00 0.00 C ATOM 879 O LEU A 88 -0.490 3.163 -4.168 1.00 0.00 O ATOM 880 CB LEU A 88 2.754 4.023 -3.651 1.00 0.00 C ATOM 881 CG LEU A 88 3.824 4.207 -4.739 1.00 0.00 C ATOM 882 CD1 LEU A 88 5.211 3.935 -4.150 1.00 0.00 C ATOM 883 CD2 LEU A 88 3.599 3.262 -5.932 1.00 0.00 C ATOM 0 H LEU A 88 2.172 6.413 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 88 1.309 4.524 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.090 4.498 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.634 2.961 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 88 3.753 5.234 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.967 4.066 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.403 4.631 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.252 2.913 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.377 3.425 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.636 2.228 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.624 3.462 -6.376 1.00 0.00 H new ATOM 895 N PHE A 89 0.030 3.987 -2.130 1.00 0.00 N ATOM 896 CA PHE A 89 -1.030 3.282 -1.413 1.00 0.00 C ATOM 897 C PHE A 89 -2.417 3.521 -2.027 1.00 0.00 C ATOM 898 O PHE A 89 -3.155 2.561 -2.225 1.00 0.00 O ATOM 899 CB PHE A 89 -0.993 3.657 0.073 1.00 0.00 C ATOM 900 CG PHE A 89 -1.412 2.514 0.967 1.00 0.00 C ATOM 901 CD1 PHE A 89 -0.440 1.595 1.405 1.00 0.00 C ATOM 902 CD2 PHE A 89 -2.760 2.342 1.332 1.00 0.00 C ATOM 903 CE1 PHE A 89 -0.807 0.516 2.223 1.00 0.00 C ATOM 904 CE2 PHE A 89 -3.129 1.256 2.143 1.00 0.00 C ATOM 905 CZ PHE A 89 -2.150 0.349 2.595 1.00 0.00 C ATOM 0 H PHE A 89 0.595 4.596 -1.537 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.844 2.212 -1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.016 3.972 0.340 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.650 4.509 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.591 1.721 1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.508 3.042 0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.059 -0.184 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.163 1.116 2.420 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.434 -0.477 3.230 1.00 0.00 H new ATOM 915 N LEU A 90 -2.745 4.774 -2.375 1.00 0.00 N ATOM 916 CA LEU A 90 -3.988 5.179 -3.039 1.00 0.00 C ATOM 917 C LEU A 90 -4.201 4.441 -4.369 1.00 0.00 C ATOM 918 O LEU A 90 -5.250 3.822 -4.567 1.00 0.00 O ATOM 919 CB LEU A 90 -3.980 6.701 -3.282 1.00 0.00 C ATOM 920 CG LEU A 90 -4.222 7.587 -2.047 1.00 0.00 C ATOM 921 CD1 LEU A 90 -3.843 9.030 -2.404 1.00 0.00 C ATOM 922 CD2 LEU A 90 -5.680 7.523 -1.587 1.00 0.00 C ATOM 0 H LEU A 90 -2.125 5.563 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.814 4.912 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.018 6.974 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.743 6.933 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.607 7.225 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.008 9.674 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.792 9.070 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.459 9.373 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.814 8.161 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.331 7.867 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.935 6.495 -1.329 1.00 0.00 H new ATOM 934 N ILE A 91 -3.222 4.512 -5.285 1.00 0.00 N ATOM 935 CA ILE A 91 -3.312 3.822 -6.579 1.00 0.00 C ATOM 936 C ILE A 91 -3.395 2.309 -6.372 1.00 0.00 C ATOM 937 O ILE A 91 -4.313 1.683 -6.896 1.00 0.00 O ATOM 938 CB ILE A 91 -2.147 4.197 -7.524 1.00 0.00 C ATOM 939 CG1 ILE A 91 -2.187 5.701 -7.906 1.00 0.00 C ATOM 940 CG2 ILE A 91 -2.212 3.352 -8.813 1.00 0.00 C ATOM 941 CD1 ILE A 91 -0.952 6.504 -7.473 1.00 0.00 C ATOM 0 H ILE A 91 -2.360 5.040 -5.152 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.228 4.156 -7.067 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.218 3.995 -6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.298 5.785 -8.987 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.073 6.152 -7.459 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.386 3.626 -9.470 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.138 2.295 -8.559 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.158 3.538 -9.322 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.067 7.543 -7.781 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.849 6.456 -6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.062 6.083 -7.941 1.00 0.00 H new ATOM 953 N ILE A 92 -2.459 1.721 -5.614 1.00 0.00 N ATOM 954 CA ILE A 92 -2.395 0.275 -5.360 1.00 0.00 C ATOM 955 C ILE A 92 -3.726 -0.235 -4.789 1.00 0.00 C ATOM 956 O ILE A 92 -4.236 -1.255 -5.260 1.00 0.00 O ATOM 957 CB ILE A 92 -1.200 -0.067 -4.438 1.00 0.00 C ATOM 958 CG1 ILE A 92 0.158 0.270 -5.102 1.00 0.00 C ATOM 959 CG2 ILE A 92 -1.229 -1.559 -4.055 1.00 0.00 C ATOM 960 CD1 ILE A 92 1.283 0.435 -4.069 1.00 0.00 C ATOM 0 H ILE A 92 -1.714 2.244 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.230 -0.239 -6.307 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.299 0.545 -3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.424 -0.521 -5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.060 1.189 -5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.383 -1.785 -3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.158 -1.782 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.167 -2.168 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.216 0.671 -4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.031 1.244 -3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.401 -0.492 -3.508 1.00 0.00 H new ATOM 972 N LEU A 93 -4.312 0.500 -3.830 1.00 0.00 N ATOM 973 CA LEU A 93 -5.655 0.260 -3.306 1.00 0.00 C ATOM 974 C LEU A 93 -6.684 0.234 -4.436 1.00 0.00 C ATOM 975 O LEU A 93 -7.355 -0.785 -4.602 1.00 0.00 O ATOM 976 CB LEU A 93 -5.989 1.303 -2.218 1.00 0.00 C ATOM 977 CG LEU A 93 -7.487 1.522 -1.923 1.00 0.00 C ATOM 978 CD1 LEU A 93 -8.237 0.235 -1.540 1.00 0.00 C ATOM 979 CD2 LEU A 93 -7.652 2.591 -0.838 1.00 0.00 C ATOM 0 H LEU A 93 -3.849 1.296 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.690 -0.723 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.498 1.002 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.555 2.258 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.943 1.863 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.284 0.468 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.169 -0.483 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.790 -0.194 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.712 2.742 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.150 2.265 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.212 3.528 -1.180 1.00 0.00 H new ATOM 991 N HIS A 94 -6.817 1.329 -5.200 1.00 0.00 N ATOM 992 CA HIS A 94 -7.794 1.407 -6.284 1.00 0.00 C ATOM 993 C HIS A 94 -7.614 0.258 -7.280 1.00 0.00 C ATOM 994 O HIS A 94 -8.590 -0.427 -7.569 1.00 0.00 O ATOM 995 CB HIS A 94 -7.753 2.783 -6.962 1.00 0.00 C ATOM 996 CG HIS A 94 -8.660 2.929 -8.167 1.00 0.00 C ATOM 997 ND1 HIS A 94 -8.418 3.761 -9.236 1.00 0.00 N ATOM 998 CD2 HIS A 94 -9.841 2.276 -8.422 1.00 0.00 C ATOM 999 CE1 HIS A 94 -9.421 3.604 -10.116 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -10.312 2.707 -9.666 1.00 0.00 N ATOM 0 H HIS A 94 -6.256 2.173 -5.082 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.789 1.293 -5.855 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.024 3.542 -6.228 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.728 2.989 -7.270 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.321 1.556 -7.776 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.500 4.128 -11.057 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.163 2.401 -10.137 1.00 0.00 H new ATOM 1008 N SER A 95 -6.394 -0.003 -7.758 1.00 0.00 N ATOM 1009 CA SER A 95 -6.105 -1.074 -8.719 1.00 0.00 C ATOM 1010 C SER A 95 -6.519 -2.457 -8.193 1.00 0.00 C ATOM 1011 O SER A 95 -7.205 -3.203 -8.896 1.00 0.00 O ATOM 1012 CB SER A 95 -4.617 -1.075 -9.081 1.00 0.00 C ATOM 1013 OG SER A 95 -4.221 0.191 -9.566 1.00 0.00 O ATOM 0 H SER A 95 -5.568 0.530 -7.486 1.00 0.00 H new ATOM 0 HA SER A 95 -6.698 -0.873 -9.611 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.024 -1.336 -8.204 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.422 -1.837 -9.836 1.00 0.00 H new ATOM 0 HG SER A 95 -4.131 0.815 -8.816 1.00 0.00 H new ATOM 1019 N ALA A 96 -6.143 -2.789 -6.949 1.00 0.00 N ATOM 1020 CA ALA A 96 -6.555 -4.028 -6.288 1.00 0.00 C ATOM 1021 C ALA A 96 -8.083 -4.125 -6.142 1.00 0.00 C ATOM 1022 O ALA A 96 -8.671 -5.151 -6.501 1.00 0.00 O ATOM 1023 CB ALA A 96 -5.853 -4.128 -4.928 1.00 0.00 C ATOM 0 H ALA A 96 -5.541 -2.200 -6.373 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.256 -4.872 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.155 -5.049 -4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.773 -4.133 -5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.131 -3.273 -4.311 1.00 0.00 H new ATOM 1029 N LEU A 97 -8.737 -3.058 -5.656 1.00 0.00 N ATOM 1030 CA LEU A 97 -10.198 -2.979 -5.583 1.00 0.00 C ATOM 1031 C LEU A 97 -10.828 -3.142 -6.978 1.00 0.00 C ATOM 1032 O LEU A 97 -11.847 -3.808 -7.106 1.00 0.00 O ATOM 1033 CB LEU A 97 -10.650 -1.707 -4.812 1.00 0.00 C ATOM 1034 CG LEU A 97 -11.517 -0.689 -5.588 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -12.978 -1.159 -5.715 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -11.487 0.701 -4.942 1.00 0.00 C ATOM 0 H LEU A 97 -8.263 -2.226 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.576 -3.817 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -11.207 -2.025 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.758 -1.191 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.080 -0.621 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.553 -0.415 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.009 -2.110 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -13.407 -1.285 -4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.109 1.384 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.868 0.637 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.462 1.072 -4.923 1.00 0.00 H new ATOM 1048 N TYR A 98 -10.237 -2.571 -8.029 1.00 0.00 N ATOM 1049 CA TYR A 98 -10.783 -2.630 -9.379 1.00 0.00 C ATOM 1050 C TYR A 98 -10.802 -4.073 -9.888 1.00 0.00 C ATOM 1051 O TYR A 98 -11.853 -4.573 -10.291 1.00 0.00 O ATOM 1052 CB TYR A 98 -9.994 -1.697 -10.307 1.00 0.00 C ATOM 1053 CG TYR A 98 -10.795 -1.250 -11.510 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -11.806 -0.284 -11.335 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -10.539 -1.786 -12.785 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -12.569 0.141 -12.435 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -11.299 -1.358 -13.891 1.00 0.00 C ATOM 1058 CZ TYR A 98 -12.317 -0.394 -13.715 1.00 0.00 C ATOM 1059 OH TYR A 98 -13.051 0.039 -14.775 1.00 0.00 O ATOM 0 H TYR A 98 -9.361 -2.052 -7.963 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.816 -2.283 -9.366 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.672 -0.820 -9.745 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.092 -2.207 -10.646 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.994 0.129 -10.355 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.761 -2.524 -12.916 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.348 0.877 -12.301 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.104 -1.766 -14.872 1.00 0.00 H new ATOM 0 HH TYR A 98 -12.757 -0.424 -15.587 1.00 0.00 H new ATOM 1069 N PHE A 99 -9.665 -4.773 -9.793 1.00 0.00 N ATOM 1070 CA PHE A 99 -9.593 -6.188 -10.146 1.00 0.00 C ATOM 1071 C PHE A 99 -10.580 -7.028 -9.321 1.00 0.00 C ATOM 1072 O PHE A 99 -11.356 -7.795 -9.899 1.00 0.00 O ATOM 1073 CB PHE A 99 -8.151 -6.694 -10.003 1.00 0.00 C ATOM 1074 CG PHE A 99 -7.985 -8.182 -10.272 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -8.554 -8.770 -11.420 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -7.288 -8.990 -9.352 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -8.439 -10.154 -11.639 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -7.163 -10.373 -9.577 1.00 0.00 C ATOM 1079 CZ PHE A 99 -7.743 -10.955 -10.718 1.00 0.00 C ATOM 0 H PHE A 99 -8.781 -4.377 -9.473 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.889 -6.299 -11.189 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.513 -6.138 -10.690 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.799 -6.477 -8.994 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.081 -8.155 -12.134 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.848 -8.546 -8.471 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.885 -10.601 -12.515 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.621 -10.988 -8.873 1.00 0.00 H new ATOM 0 HZ PHE A 99 -7.654 -12.018 -10.887 1.00 0.00 H new ATOM 1089 N LYS A 100 -10.596 -6.861 -7.988 1.00 0.00 N ATOM 1090 CA LYS A 100 -11.519 -7.609 -7.122 1.00 0.00 C ATOM 1091 C LYS A 100 -12.987 -7.295 -7.415 1.00 0.00 C ATOM 1092 O LYS A 100 -13.819 -8.190 -7.330 1.00 0.00 O ATOM 1093 CB LYS A 100 -11.128 -7.468 -5.637 1.00 0.00 C ATOM 1094 CG LYS A 100 -11.814 -6.357 -4.818 1.00 0.00 C ATOM 1095 CD LYS A 100 -13.198 -6.741 -4.262 1.00 0.00 C ATOM 1096 CE LYS A 100 -13.456 -6.141 -2.871 1.00 0.00 C ATOM 1097 NZ LYS A 100 -13.853 -4.711 -2.912 1.00 0.00 N ATOM 0 H LYS A 100 -9.982 -6.217 -7.489 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.416 -8.667 -7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.329 -8.420 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.051 -7.305 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.165 -6.082 -3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.920 -5.472 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.971 -6.400 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.276 -7.827 -4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.240 -6.714 -2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.555 -6.243 -2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.012 -4.367 -1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.097 -4.153 -3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.729 -4.610 -3.464 1.00 0.00 H new ATOM 1111 N TYR A 101 -13.315 -6.053 -7.779 1.00 0.00 N ATOM 1112 CA TYR A 101 -14.665 -5.611 -8.118 1.00 0.00 C ATOM 1113 C TYR A 101 -15.163 -6.261 -9.413 1.00 0.00 C ATOM 1114 O TYR A 101 -16.287 -6.758 -9.450 1.00 0.00 O ATOM 1115 CB TYR A 101 -14.691 -4.080 -8.212 1.00 0.00 C ATOM 1116 CG TYR A 101 -16.041 -3.510 -8.586 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -17.078 -3.502 -7.636 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -16.267 -3.022 -9.887 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -18.353 -3.026 -7.991 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -17.544 -2.551 -10.251 1.00 0.00 C ATOM 1121 CZ TYR A 101 -18.593 -2.565 -9.303 1.00 0.00 C ATOM 1122 OH TYR A 101 -19.843 -2.156 -9.651 1.00 0.00 O ATOM 0 H TYR A 101 -12.625 -5.305 -7.847 1.00 0.00 H new ATOM 0 HA TYR A 101 -15.347 -5.928 -7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -14.384 -3.662 -7.253 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.955 -3.759 -8.949 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -16.895 -3.861 -6.634 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -15.461 -3.009 -10.606 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -19.148 -3.013 -7.260 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -17.721 -2.181 -11.250 1.00 0.00 H new ATOM 0 HH TYR A 101 -19.844 -1.867 -10.587 1.00 0.00 H new ATOM 1132 N LEU A 102 -14.322 -6.309 -10.452 1.00 0.00 N ATOM 1133 CA LEU A 102 -14.665 -6.996 -11.696 1.00 0.00 C ATOM 1134 C LEU A 102 -14.761 -8.519 -11.494 1.00 0.00 C ATOM 1135 O LEU A 102 -15.736 -9.132 -11.935 1.00 0.00 O ATOM 1136 CB LEU A 102 -13.665 -6.615 -12.802 1.00 0.00 C ATOM 1137 CG LEU A 102 -13.624 -5.111 -13.163 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -12.651 -4.881 -14.330 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -15.002 -4.536 -13.508 1.00 0.00 C ATOM 0 H LEU A 102 -13.397 -5.878 -10.453 1.00 0.00 H new ATOM 0 HA LEU A 102 -15.655 -6.669 -12.013 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.668 -6.925 -12.490 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.908 -7.182 -13.701 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.278 -4.582 -12.275 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.626 -3.820 -14.580 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.652 -5.209 -14.041 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.983 -5.450 -15.198 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.904 -3.478 -13.752 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -15.415 -5.069 -14.365 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.669 -4.651 -12.653 1.00 0.00 H new ATOM 1151 N LEU A 103 -13.793 -9.136 -10.798 1.00 0.00 N ATOM 1152 CA LEU A 103 -13.814 -10.584 -10.549 1.00 0.00 C ATOM 1153 C LEU A 103 -14.950 -11.010 -9.597 1.00 0.00 C ATOM 1154 O LEU A 103 -15.477 -12.112 -9.748 1.00 0.00 O ATOM 1155 CB LEU A 103 -12.408 -11.080 -10.132 1.00 0.00 C ATOM 1156 CG LEU A 103 -12.197 -11.279 -8.615 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -12.668 -12.668 -8.154 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -10.732 -11.105 -8.211 1.00 0.00 C ATOM 0 H LEU A 103 -12.987 -8.654 -10.399 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.056 -11.091 -11.483 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.211 -12.026 -10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.668 -10.366 -10.494 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.796 -10.510 -8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.503 -12.771 -7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.730 -12.783 -8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -12.105 -13.437 -8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.631 -11.254 -7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.120 -11.837 -8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.400 -10.100 -8.471 1.00 0.00 H new