USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 600 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 72 THR OG1 : rot 180:sc= 0.549 USER MOD Set 1.2: A 94 THR OG1 : rot -64:sc= 0.594 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= -0.0151 USER MOD Set 3.1: A 68 SER OG : rot 180:sc= 0.0273 USER MOD Set 3.2: A 71 THR OG1 : rot 61:sc= 0.893 USER MOD Single : A 13 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.19) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.9) USER MOD Single : A 41 THR OG1 : rot 28:sc= 0.114 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 53:sc= 1.04 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.68) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00855 USER MOD Single : A 61 SER OG : rot -170:sc= 0 USER MOD Single : A 63 MET CE :methyl 167:sc=-0.000657 (180deg=-0.098) USER MOD Single : A 69 SER OG : rot 160:sc= 0 USER MOD Single : A 70 SER OG : rot -51:sc= 1.07 USER MOD Single : A 73 TYR OH : rot 180:sc=-0.00418 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.0312 USER MOD Single : A 81 TYR OH : rot 30:sc= -0.213 USER MOD Single : A 87 SER OG : rot 130:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -68:sc= 2.15 USER MOD Single : A 96 LYS NZ :NH3+ 167:sc= 0.121 (180deg=0.0659) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 11 -6.627 -11.803 -5.928 1.00 0.00 N ATOM 110 CA PRO A 11 -7.983 -11.695 -6.476 1.00 0.00 C ATOM 111 C PRO A 11 -8.056 -10.733 -7.656 1.00 0.00 C ATOM 112 O PRO A 11 -8.610 -11.063 -8.705 1.00 0.00 O ATOM 113 CB PRO A 11 -8.800 -11.159 -5.298 1.00 0.00 C ATOM 114 CG PRO A 11 -7.811 -10.438 -4.448 1.00 0.00 C ATOM 115 CD PRO A 11 -6.515 -11.186 -4.596 1.00 0.00 C ATOM 0 HA PRO A 11 -8.343 -12.648 -6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.592 -10.491 -5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.279 -11.969 -4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.702 -9.402 -4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.133 -10.417 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.656 -10.518 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.393 -11.936 -3.815 1.00 0.00 H new ATOM 123 N ARG A 12 -7.493 -9.542 -7.479 1.00 0.00 N ATOM 124 CA ARG A 12 -7.495 -8.532 -8.530 1.00 0.00 C ATOM 125 C ARG A 12 -6.122 -7.877 -8.658 1.00 0.00 C ATOM 126 O ARG A 12 -5.185 -8.230 -7.941 1.00 0.00 O ATOM 127 CB ARG A 12 -8.555 -7.467 -8.241 1.00 0.00 C ATOM 128 CG ARG A 12 -9.943 -7.839 -8.735 1.00 0.00 C ATOM 129 CD ARG A 12 -10.075 -7.630 -10.235 1.00 0.00 C ATOM 130 NE ARG A 12 -11.208 -8.362 -10.793 1.00 0.00 N ATOM 131 CZ ARG A 12 -11.603 -8.255 -12.057 1.00 0.00 C ATOM 132 NH1 ARG A 12 -10.959 -7.450 -12.890 1.00 0.00 N ATOM 133 NH2 ARG A 12 -12.644 -8.955 -12.490 1.00 0.00 N ATOM 0 H ARG A 12 -7.030 -9.253 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.732 -9.025 -9.473 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.596 -7.290 -7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.252 -6.529 -8.707 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.149 -8.881 -8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.689 -7.237 -8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.193 -6.567 -10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.158 -7.952 -10.728 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.725 -8.991 -10.178 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.158 -6.911 -12.561 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.264 -7.370 -13.860 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.142 -9.576 -11.852 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.946 -8.872 -13.461 1.00 0.00 H new ATOM 147 N HIS A 13 -6.011 -6.922 -9.575 1.00 0.00 N ATOM 148 CA HIS A 13 -4.753 -6.218 -9.797 1.00 0.00 C ATOM 149 C HIS A 13 -4.746 -4.876 -9.071 1.00 0.00 C ATOM 150 O HIS A 13 -5.766 -4.190 -9.003 1.00 0.00 O ATOM 151 CB HIS A 13 -4.522 -6.002 -11.293 1.00 0.00 C ATOM 152 CG HIS A 13 -3.266 -5.248 -11.603 1.00 0.00 C ATOM 153 ND1 HIS A 13 -3.251 -4.074 -12.326 1.00 0.00 N ATOM 154 CD2 HIS A 13 -1.976 -5.505 -11.280 1.00 0.00 C ATOM 155 CE1 HIS A 13 -2.007 -3.643 -12.437 1.00 0.00 C ATOM 156 NE2 HIS A 13 -1.214 -4.494 -11.811 1.00 0.00 N ATOM 0 H HIS A 13 -6.777 -6.618 -10.176 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.946 -6.832 -9.397 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.486 -6.971 -11.790 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.372 -5.462 -11.709 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.614 -6.348 -10.711 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -1.692 -2.747 -12.952 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -0.200 -4.413 -11.735 1.00 0.00 H new ATOM 165 N LEU A 14 -3.590 -4.509 -8.528 1.00 0.00 N ATOM 166 CA LEU A 14 -3.451 -3.249 -7.806 1.00 0.00 C ATOM 167 C LEU A 14 -3.129 -2.106 -8.763 1.00 0.00 C ATOM 168 O LEU A 14 -2.879 -2.325 -9.947 1.00 0.00 O ATOM 169 CB LEU A 14 -2.354 -3.366 -6.746 1.00 0.00 C ATOM 170 CG LEU A 14 -2.805 -3.839 -5.363 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.605 -4.043 -4.451 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.780 -2.845 -4.751 1.00 0.00 C ATOM 0 H LEU A 14 -2.736 -5.065 -8.574 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.400 -3.032 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.593 -4.055 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.876 -2.392 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.316 -4.795 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.945 -4.379 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.943 -4.794 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.065 -3.102 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.090 -3.198 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.295 -1.874 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.655 -2.750 -5.395 1.00 0.00 H new ATOM 184 N GLY A 15 -3.135 -0.883 -8.239 1.00 0.00 N ATOM 185 CA GLY A 15 -2.840 0.276 -9.060 1.00 0.00 C ATOM 186 C GLY A 15 -2.427 1.480 -8.236 1.00 0.00 C ATOM 187 O GLY A 15 -3.120 1.863 -7.293 1.00 0.00 O ATOM 0 H GLY A 15 -3.339 -0.675 -7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.042 0.028 -9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.718 0.530 -9.654 1.00 0.00 H new ATOM 191 N PHE A 16 -1.295 2.078 -8.591 1.00 0.00 N ATOM 192 CA PHE A 16 -0.789 3.244 -7.876 1.00 0.00 C ATOM 193 C PHE A 16 -0.996 4.515 -8.693 1.00 0.00 C ATOM 194 O PHE A 16 -0.790 4.527 -9.907 1.00 0.00 O ATOM 195 CB PHE A 16 0.696 3.067 -7.555 1.00 0.00 C ATOM 196 CG PHE A 16 0.982 1.887 -6.671 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.753 1.955 -5.306 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.480 0.709 -7.205 1.00 0.00 C ATOM 199 CE1 PHE A 16 1.015 0.871 -4.490 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.743 -0.379 -6.394 1.00 0.00 C ATOM 201 CZ PHE A 16 1.512 -0.297 -5.034 1.00 0.00 C ATOM 0 H PHE A 16 -0.710 1.774 -9.370 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.346 3.337 -6.944 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.250 2.955 -8.487 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.065 3.971 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.365 2.866 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.665 0.640 -8.267 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.831 0.937 -3.428 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.129 -1.292 -6.823 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.720 -1.145 -4.398 1.00 0.00 H new ATOM 211 N SER A 17 -1.406 5.585 -8.019 1.00 0.00 N ATOM 212 CA SER A 17 -1.646 6.861 -8.682 1.00 0.00 C ATOM 213 C SER A 17 -1.296 8.026 -7.762 1.00 0.00 C ATOM 214 O SER A 17 -1.157 7.855 -6.551 1.00 0.00 O ATOM 215 CB SER A 17 -3.108 6.965 -9.122 1.00 0.00 C ATOM 216 OG SER A 17 -3.237 7.776 -10.277 1.00 0.00 O ATOM 0 H SER A 17 -1.579 5.593 -7.014 1.00 0.00 H new ATOM 0 HA SER A 17 -1.005 6.911 -9.562 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.501 5.969 -9.327 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.706 7.383 -8.312 1.00 0.00 H new ATOM 0 HG SER A 17 -4.180 7.825 -10.539 1.00 0.00 H new ATOM 222 N ASP A 18 -1.155 9.211 -8.345 1.00 0.00 N ATOM 223 CA ASP A 18 -0.822 10.406 -7.579 1.00 0.00 C ATOM 224 C ASP A 18 0.368 10.149 -6.660 1.00 0.00 C ATOM 225 O ASP A 18 0.512 10.789 -5.619 1.00 0.00 O ATOM 226 CB ASP A 18 -2.028 10.863 -6.756 1.00 0.00 C ATOM 227 CG ASP A 18 -3.314 10.853 -7.558 1.00 0.00 C ATOM 228 OD1 ASP A 18 -3.505 11.769 -8.385 1.00 0.00 O ATOM 229 OD2 ASP A 18 -4.129 9.927 -7.361 1.00 0.00 O ATOM 0 H ASP A 18 -1.266 9.370 -9.346 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.552 11.194 -8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.139 10.213 -5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.846 11.869 -6.379 1.00 0.00 H new ATOM 234 N VAL A 19 1.219 9.206 -7.053 1.00 0.00 N ATOM 235 CA VAL A 19 2.397 8.863 -6.265 1.00 0.00 C ATOM 236 C VAL A 19 3.395 10.016 -6.238 1.00 0.00 C ATOM 237 O VAL A 19 3.645 10.657 -7.258 1.00 0.00 O ATOM 238 CB VAL A 19 3.096 7.607 -6.818 1.00 0.00 C ATOM 239 CG1 VAL A 19 2.963 7.544 -8.332 1.00 0.00 C ATOM 240 CG2 VAL A 19 4.559 7.584 -6.402 1.00 0.00 C ATOM 0 H VAL A 19 1.114 8.666 -7.912 1.00 0.00 H new ATOM 0 HA VAL A 19 2.052 8.661 -5.251 1.00 0.00 H new ATOM 0 HB VAL A 19 2.609 6.727 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.463 6.650 -8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.908 7.509 -8.603 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.423 8.428 -8.775 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.037 6.690 -6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.062 8.469 -6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.628 7.577 -5.314 1.00 0.00 H new ATOM 250 N SER A 20 3.961 10.273 -5.064 1.00 0.00 N ATOM 251 CA SER A 20 4.930 11.351 -4.902 1.00 0.00 C ATOM 252 C SER A 20 6.218 10.834 -4.269 1.00 0.00 C ATOM 253 O SER A 20 6.357 9.640 -4.003 1.00 0.00 O ATOM 254 CB SER A 20 4.340 12.471 -4.044 1.00 0.00 C ATOM 255 OG SER A 20 3.349 13.192 -4.756 1.00 0.00 O ATOM 0 H SER A 20 3.766 9.750 -4.211 1.00 0.00 H new ATOM 0 HA SER A 20 5.165 11.746 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.906 12.049 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.133 13.150 -3.731 1.00 0.00 H new ATOM 0 HG SER A 20 2.987 13.901 -4.185 1.00 0.00 H new ATOM 261 N HIS A 21 7.159 11.742 -4.030 1.00 0.00 N ATOM 262 CA HIS A 21 8.436 11.379 -3.427 1.00 0.00 C ATOM 263 C HIS A 21 8.309 11.267 -1.911 1.00 0.00 C ATOM 264 O HIS A 21 9.231 10.814 -1.233 1.00 0.00 O ATOM 265 CB HIS A 21 9.505 12.412 -3.786 1.00 0.00 C ATOM 266 CG HIS A 21 9.121 13.817 -3.439 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.568 14.693 -4.350 1.00 0.00 N ATOM 268 CD2 HIS A 21 9.211 14.498 -2.273 1.00 0.00 C ATOM 269 CE1 HIS A 21 8.336 15.851 -3.759 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.717 15.759 -2.498 1.00 0.00 N ATOM 0 H HIS A 21 7.061 12.734 -4.245 1.00 0.00 H new ATOM 0 HA HIS A 21 8.733 10.407 -3.822 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.431 12.159 -3.269 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.710 12.354 -4.855 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.599 14.120 -1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.908 16.725 -4.227 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.654 16.504 -1.804 1.00 0.00 H new ATOM 279 N ASP A 22 7.162 11.684 -1.386 1.00 0.00 N ATOM 280 CA ASP A 22 6.914 11.630 0.050 1.00 0.00 C ATOM 281 C ASP A 22 5.565 10.983 0.345 1.00 0.00 C ATOM 282 O ASP A 22 5.027 11.118 1.444 1.00 0.00 O ATOM 283 CB ASP A 22 6.962 13.036 0.651 1.00 0.00 C ATOM 284 CG ASP A 22 8.380 13.514 0.893 1.00 0.00 C ATOM 285 OD1 ASP A 22 9.248 12.668 1.195 1.00 0.00 O ATOM 286 OD2 ASP A 22 8.622 14.734 0.780 1.00 0.00 O ATOM 0 H ASP A 22 6.389 12.063 -1.933 1.00 0.00 H new ATOM 0 HA ASP A 22 7.695 11.022 0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.457 13.732 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.413 13.044 1.593 1.00 0.00 H new ATOM 291 N ALA A 23 5.022 10.281 -0.645 1.00 0.00 N ATOM 292 CA ALA A 23 3.736 9.613 -0.492 1.00 0.00 C ATOM 293 C ALA A 23 3.426 8.735 -1.699 1.00 0.00 C ATOM 294 O ALA A 23 4.106 8.807 -2.722 1.00 0.00 O ATOM 295 CB ALA A 23 2.630 10.637 -0.283 1.00 0.00 C ATOM 0 H ALA A 23 5.453 10.161 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 23 3.791 8.970 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.675 10.123 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.838 11.218 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.584 11.304 -1.144 1.00 0.00 H new ATOM 301 N ALA A 24 2.395 7.906 -1.574 1.00 0.00 N ATOM 302 CA ALA A 24 1.994 7.015 -2.656 1.00 0.00 C ATOM 303 C ALA A 24 0.611 6.428 -2.399 1.00 0.00 C ATOM 304 O ALA A 24 0.378 5.788 -1.373 1.00 0.00 O ATOM 305 CB ALA A 24 3.018 5.904 -2.831 1.00 0.00 C ATOM 0 H ALA A 24 1.822 7.833 -0.733 1.00 0.00 H new ATOM 0 HA ALA A 24 1.947 7.598 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.706 5.246 -3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.989 6.338 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.094 5.330 -1.907 1.00 0.00 H new ATOM 311 N ARG A 25 -0.304 6.648 -3.337 1.00 0.00 N ATOM 312 CA ARG A 25 -1.666 6.142 -3.211 1.00 0.00 C ATOM 313 C ARG A 25 -1.778 4.735 -3.791 1.00 0.00 C ATOM 314 O ARG A 25 -1.185 4.429 -4.825 1.00 0.00 O ATOM 315 CB ARG A 25 -2.648 7.076 -3.920 1.00 0.00 C ATOM 316 CG ARG A 25 -4.107 6.722 -3.680 1.00 0.00 C ATOM 317 CD ARG A 25 -4.996 7.954 -3.737 1.00 0.00 C ATOM 318 NE ARG A 25 -6.343 7.636 -4.202 1.00 0.00 N ATOM 319 CZ ARG A 25 -7.326 8.527 -4.273 1.00 0.00 C ATOM 320 NH1 ARG A 25 -7.112 9.785 -3.911 1.00 0.00 N ATOM 321 NH2 ARG A 25 -8.525 8.161 -4.708 1.00 0.00 N ATOM 0 H ARG A 25 -0.127 7.174 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.915 6.101 -2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.471 8.098 -3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.449 7.053 -4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.435 6.000 -4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.211 6.242 -2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.052 8.407 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.548 8.694 -4.401 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.540 6.677 -4.488 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.191 10.070 -3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.868 10.467 -3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.693 7.195 -4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.279 8.846 -4.762 1.00 0.00 H new ATOM 335 N VAL A 26 -2.543 3.882 -3.116 1.00 0.00 N ATOM 336 CA VAL A 26 -2.733 2.507 -3.564 1.00 0.00 C ATOM 337 C VAL A 26 -4.215 2.154 -3.637 1.00 0.00 C ATOM 338 O VAL A 26 -4.906 2.115 -2.619 1.00 0.00 O ATOM 339 CB VAL A 26 -2.024 1.509 -2.629 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.412 1.765 -1.181 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.350 0.079 -3.032 1.00 0.00 C ATOM 0 H VAL A 26 -3.041 4.119 -2.258 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.295 2.434 -4.559 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.947 1.653 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.901 1.050 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.123 2.778 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.490 1.651 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.841 -0.613 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.426 -0.080 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.016 -0.096 -4.055 1.00 0.00 H new ATOM 351 N PHE A 27 -4.696 1.896 -4.848 1.00 0.00 N ATOM 352 CA PHE A 27 -6.097 1.546 -5.056 1.00 0.00 C ATOM 353 C PHE A 27 -6.224 0.158 -5.676 1.00 0.00 C ATOM 354 O PHE A 27 -5.285 -0.347 -6.292 1.00 0.00 O ATOM 355 CB PHE A 27 -6.776 2.582 -5.953 1.00 0.00 C ATOM 356 CG PHE A 27 -6.278 2.566 -7.370 1.00 0.00 C ATOM 357 CD1 PHE A 27 -5.171 3.313 -7.739 1.00 0.00 C ATOM 358 CD2 PHE A 27 -6.918 1.804 -8.335 1.00 0.00 C ATOM 359 CE1 PHE A 27 -4.711 3.300 -9.042 1.00 0.00 C ATOM 360 CE2 PHE A 27 -6.462 1.787 -9.639 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.358 2.537 -9.993 1.00 0.00 C ATOM 0 H PHE A 27 -4.137 1.923 -5.701 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.592 1.538 -4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.851 2.403 -5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.618 3.575 -5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.661 3.913 -6.999 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.783 1.217 -8.064 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.846 3.886 -9.316 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.969 1.188 -10.381 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.001 2.527 -11.012 1.00 0.00 H new ATOM 371 N TRP A 28 -7.391 -0.454 -5.508 1.00 0.00 N ATOM 372 CA TRP A 28 -7.641 -1.784 -6.050 1.00 0.00 C ATOM 373 C TRP A 28 -8.972 -1.827 -6.794 1.00 0.00 C ATOM 374 O TRP A 28 -9.749 -0.875 -6.747 1.00 0.00 O ATOM 375 CB TRP A 28 -7.635 -2.824 -4.929 1.00 0.00 C ATOM 376 CG TRP A 28 -8.328 -2.359 -3.684 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.601 -2.660 -3.293 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.784 -1.508 -2.668 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.882 -2.047 -2.095 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.784 -1.336 -1.691 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.550 -0.878 -2.488 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.586 -0.558 -0.553 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.356 -0.106 -1.359 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.368 0.048 -0.402 1.00 0.00 C ATOM 0 H TRP A 28 -8.179 -0.050 -5.001 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.844 -2.017 -6.756 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.116 -3.735 -5.285 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.604 -3.082 -4.688 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.286 -3.287 -3.844 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.765 -2.111 -1.589 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.762 -0.992 -3.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.366 -0.437 0.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.407 0.388 -1.211 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.183 0.656 0.471 1.00 0.00 H new ATOM 395 N GLU A 29 -9.227 -2.938 -7.478 1.00 0.00 N ATOM 396 CA GLU A 29 -10.465 -3.103 -8.231 1.00 0.00 C ATOM 397 C GLU A 29 -11.536 -3.775 -7.377 1.00 0.00 C ATOM 398 O GLU A 29 -12.581 -4.185 -7.881 1.00 0.00 O ATOM 399 CB GLU A 29 -10.213 -3.929 -9.494 1.00 0.00 C ATOM 400 CG GLU A 29 -9.365 -3.211 -10.532 1.00 0.00 C ATOM 401 CD GLU A 29 -10.022 -1.945 -11.047 1.00 0.00 C ATOM 402 OE1 GLU A 29 -11.251 -1.960 -11.267 1.00 0.00 O ATOM 403 OE2 GLU A 29 -9.306 -0.938 -11.229 1.00 0.00 O ATOM 0 H GLU A 29 -8.594 -3.736 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.821 -2.113 -8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.721 -4.861 -9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.171 -4.196 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.397 -2.962 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.175 -3.883 -11.369 1.00 0.00 H new ATOM 410 N GLY A 30 -11.268 -3.884 -6.079 1.00 0.00 N ATOM 411 CA GLY A 30 -12.217 -4.507 -5.175 1.00 0.00 C ATOM 412 C GLY A 30 -11.944 -5.984 -4.976 1.00 0.00 C ATOM 413 O GLY A 30 -10.951 -6.512 -5.475 1.00 0.00 O ATOM 0 H GLY A 30 -10.411 -3.552 -5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.181 -4.001 -4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.226 -4.377 -5.566 1.00 0.00 H new ATOM 417 N ALA A 31 -12.827 -6.654 -4.242 1.00 0.00 N ATOM 418 CA ALA A 31 -12.677 -8.080 -3.978 1.00 0.00 C ATOM 419 C ALA A 31 -13.947 -8.842 -4.341 1.00 0.00 C ATOM 420 O ALA A 31 -15.047 -8.290 -4.361 1.00 0.00 O ATOM 421 CB ALA A 31 -12.319 -8.311 -2.518 1.00 0.00 C ATOM 0 H ALA A 31 -13.654 -6.232 -3.820 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.868 -8.457 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.210 -9.380 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.380 -7.806 -2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.110 -7.913 -1.882 1.00 0.00 H new ATOM 427 N PRO A 32 -13.794 -10.142 -4.635 1.00 0.00 N ATOM 428 CA PRO A 32 -14.918 -11.008 -5.003 1.00 0.00 C ATOM 429 C PRO A 32 -15.847 -11.283 -3.825 1.00 0.00 C ATOM 430 O PRO A 32 -16.832 -12.010 -3.956 1.00 0.00 O ATOM 431 CB PRO A 32 -14.236 -12.300 -5.459 1.00 0.00 C ATOM 432 CG PRO A 32 -12.925 -12.307 -4.750 1.00 0.00 C ATOM 433 CD PRO A 32 -12.512 -10.866 -4.631 1.00 0.00 C ATOM 0 HA PRO A 32 -15.551 -10.553 -5.764 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -14.831 -13.175 -5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.101 -12.316 -6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.015 -12.770 -3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.184 -12.881 -5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.950 -10.683 -3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -11.875 -10.561 -5.461 1.00 0.00 H new ATOM 441 N ARG A 33 -15.528 -10.696 -2.676 1.00 0.00 N ATOM 442 CA ARG A 33 -16.334 -10.879 -1.475 1.00 0.00 C ATOM 443 C ARG A 33 -16.339 -9.612 -0.625 1.00 0.00 C ATOM 444 O ARG A 33 -15.419 -8.796 -0.679 1.00 0.00 O ATOM 445 CB ARG A 33 -15.804 -12.055 -0.653 1.00 0.00 C ATOM 446 CG ARG A 33 -14.311 -11.982 -0.378 1.00 0.00 C ATOM 447 CD ARG A 33 -13.831 -13.185 0.418 1.00 0.00 C ATOM 448 NE ARG A 33 -13.938 -14.425 -0.346 1.00 0.00 N ATOM 449 CZ ARG A 33 -15.046 -15.155 -0.412 1.00 0.00 C ATOM 450 NH1 ARG A 33 -16.137 -14.770 0.237 1.00 0.00 N ATOM 451 NH2 ARG A 33 -15.065 -16.271 -1.128 1.00 0.00 N ATOM 0 H ARG A 33 -14.717 -10.090 -2.552 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.357 -11.093 -1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.338 -12.094 0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.023 -12.984 -1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.768 -11.929 -1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.085 -11.068 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.794 -13.032 0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.417 -13.271 1.333 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.117 -14.748 -0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.126 -13.912 0.788 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.987 -15.332 0.185 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.228 -16.570 -1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.916 -16.831 -1.178 1.00 0.00 H new ATOM 465 N PRO A 34 -17.400 -9.441 0.177 1.00 0.00 N ATOM 466 CA PRO A 34 -17.550 -8.276 1.054 1.00 0.00 C ATOM 467 C PRO A 34 -16.555 -8.287 2.209 1.00 0.00 C ATOM 468 O PRO A 34 -16.231 -9.343 2.752 1.00 0.00 O ATOM 469 CB PRO A 34 -18.982 -8.410 1.580 1.00 0.00 C ATOM 470 CG PRO A 34 -19.282 -9.867 1.494 1.00 0.00 C ATOM 471 CD PRO A 34 -18.534 -10.374 0.292 1.00 0.00 C ATOM 0 HA PRO A 34 -17.361 -7.342 0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.063 -8.049 2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.680 -7.826 0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.964 -10.385 2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.353 -10.039 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.197 -11.401 0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.156 -10.362 -0.603 1.00 0.00 H new ATOM 479 N VAL A 35 -16.073 -7.105 2.579 1.00 0.00 N ATOM 480 CA VAL A 35 -15.115 -6.978 3.671 1.00 0.00 C ATOM 481 C VAL A 35 -15.640 -6.046 4.757 1.00 0.00 C ATOM 482 O VAL A 35 -16.407 -5.124 4.480 1.00 0.00 O ATOM 483 CB VAL A 35 -13.758 -6.451 3.169 1.00 0.00 C ATOM 484 CG1 VAL A 35 -13.960 -5.380 2.108 1.00 0.00 C ATOM 485 CG2 VAL A 35 -12.933 -5.915 4.329 1.00 0.00 C ATOM 0 H VAL A 35 -16.330 -6.222 2.139 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.977 -7.975 4.088 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.212 -7.278 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.990 -5.020 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.509 -5.801 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.526 -4.550 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.977 -5.547 3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.472 -5.101 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -12.758 -6.713 5.050 1.00 0.00 H new ATOM 495 N ARG A 36 -15.220 -6.292 5.994 1.00 0.00 N ATOM 496 CA ARG A 36 -15.649 -5.474 7.123 1.00 0.00 C ATOM 497 C ARG A 36 -14.575 -4.456 7.495 1.00 0.00 C ATOM 498 O ARG A 36 -14.876 -3.387 8.029 1.00 0.00 O ATOM 499 CB ARG A 36 -15.967 -6.359 8.329 1.00 0.00 C ATOM 500 CG ARG A 36 -14.778 -7.169 8.821 1.00 0.00 C ATOM 501 CD ARG A 36 -14.987 -7.656 10.246 1.00 0.00 C ATOM 502 NE ARG A 36 -14.933 -6.561 11.212 1.00 0.00 N ATOM 503 CZ ARG A 36 -14.718 -6.738 12.511 1.00 0.00 C ATOM 504 NH1 ARG A 36 -14.538 -7.958 12.997 1.00 0.00 N ATOM 505 NH2 ARG A 36 -14.682 -5.692 13.327 1.00 0.00 N ATOM 0 H ARG A 36 -14.584 -7.050 6.240 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.550 -4.936 6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.331 -5.732 9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.776 -7.040 8.066 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.621 -8.023 8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.876 -6.559 8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.952 -8.157 10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.224 -8.395 10.492 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.068 -5.609 10.871 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.564 -8.765 12.373 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.373 -8.090 13.995 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.819 -4.752 12.957 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.517 -5.829 14.324 1.00 0.00 H new ATOM 519 N LEU A 37 -13.322 -4.794 7.210 1.00 0.00 N ATOM 520 CA LEU A 37 -12.203 -3.909 7.515 1.00 0.00 C ATOM 521 C LEU A 37 -11.003 -4.224 6.627 1.00 0.00 C ATOM 522 O LEU A 37 -10.794 -5.370 6.232 1.00 0.00 O ATOM 523 CB LEU A 37 -11.811 -4.040 8.988 1.00 0.00 C ATOM 524 CG LEU A 37 -10.741 -3.068 9.486 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.334 -1.684 9.698 1.00 0.00 C ATOM 526 CD2 LEU A 37 -10.110 -3.582 10.772 1.00 0.00 C ATOM 0 H LEU A 37 -13.056 -5.674 6.768 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.518 -2.884 7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.706 -3.906 9.595 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.458 -5.057 9.161 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.963 -2.995 8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.558 -1.006 10.052 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.738 -1.313 8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.133 -1.740 10.438 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.351 -2.877 11.112 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.878 -3.685 11.538 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.648 -4.552 10.588 1.00 0.00 H new ATOM 538 N VAL A 38 -10.216 -3.197 6.319 1.00 0.00 N ATOM 539 CA VAL A 38 -9.035 -3.364 5.481 1.00 0.00 C ATOM 540 C VAL A 38 -7.794 -2.799 6.162 1.00 0.00 C ATOM 541 O VAL A 38 -7.719 -1.604 6.446 1.00 0.00 O ATOM 542 CB VAL A 38 -9.215 -2.678 4.114 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.004 -2.926 3.228 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.489 -3.162 3.438 1.00 0.00 C ATOM 0 H VAL A 38 -10.375 -2.241 6.637 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.905 -4.435 5.327 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.303 -1.604 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.150 -2.434 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.112 -2.525 3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.881 -3.998 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.600 -2.667 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.434 -4.240 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.347 -2.926 4.068 1.00 0.00 H new ATOM 554 N ARG A 39 -6.821 -3.667 6.422 1.00 0.00 N ATOM 555 CA ARG A 39 -5.582 -3.255 7.071 1.00 0.00 C ATOM 556 C ARG A 39 -4.423 -3.254 6.079 1.00 0.00 C ATOM 557 O ARG A 39 -3.944 -4.310 5.666 1.00 0.00 O ATOM 558 CB ARG A 39 -5.263 -4.183 8.244 1.00 0.00 C ATOM 559 CG ARG A 39 -4.493 -3.504 9.365 1.00 0.00 C ATOM 560 CD ARG A 39 -4.547 -4.317 10.649 1.00 0.00 C ATOM 561 NE ARG A 39 -5.863 -4.258 11.280 1.00 0.00 N ATOM 562 CZ ARG A 39 -6.121 -4.746 12.488 1.00 0.00 C ATOM 563 NH1 ARG A 39 -5.159 -5.326 13.192 1.00 0.00 N ATOM 564 NH2 ARG A 39 -7.344 -4.654 12.994 1.00 0.00 N ATOM 0 H ARG A 39 -6.867 -4.660 6.193 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.717 -2.240 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.195 -4.582 8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.684 -5.031 7.878 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.455 -3.366 9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.907 -2.512 9.544 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.296 -5.355 10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.795 -3.946 11.345 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.625 -3.818 10.765 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.218 -5.398 12.806 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.360 -5.700 14.119 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.087 -4.208 12.455 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.542 -5.029 13.922 1.00 0.00 H new ATOM 578 N VAL A 40 -3.977 -2.060 5.699 1.00 0.00 N ATOM 579 CA VAL A 40 -2.874 -1.921 4.755 1.00 0.00 C ATOM 580 C VAL A 40 -1.540 -1.807 5.483 1.00 0.00 C ATOM 581 O VAL A 40 -1.452 -1.203 6.553 1.00 0.00 O ATOM 582 CB VAL A 40 -3.061 -0.688 3.852 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.957 -0.619 2.808 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.430 -0.715 3.190 1.00 0.00 C ATOM 0 H VAL A 40 -4.363 -1.176 6.030 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.871 -2.818 4.136 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.000 0.207 4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.105 0.259 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.990 -0.549 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.984 -1.517 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.545 0.164 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.523 -1.615 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.205 -0.713 3.957 1.00 0.00 H new ATOM 594 N THR A 41 -0.500 -2.392 4.897 1.00 0.00 N ATOM 595 CA THR A 41 0.831 -2.357 5.489 1.00 0.00 C ATOM 596 C THR A 41 1.902 -2.148 4.424 1.00 0.00 C ATOM 597 O THR A 41 2.002 -2.920 3.471 1.00 0.00 O ATOM 598 CB THR A 41 1.137 -3.655 6.260 1.00 0.00 C ATOM 599 OG1 THR A 41 0.916 -4.790 5.416 1.00 0.00 O ATOM 600 CG2 THR A 41 0.267 -3.764 7.503 1.00 0.00 C ATOM 0 H THR A 41 -0.554 -2.896 4.012 1.00 0.00 H new ATOM 0 HA THR A 41 0.845 -1.518 6.184 1.00 0.00 H new ATOM 0 HB THR A 41 2.182 -3.630 6.568 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.052 -4.533 4.480 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.501 -4.688 8.031 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.459 -2.914 8.157 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.784 -3.768 7.213 1.00 0.00 H new ATOM 608 N TYR A 42 2.700 -1.100 4.593 1.00 0.00 N ATOM 609 CA TYR A 42 3.763 -0.788 3.645 1.00 0.00 C ATOM 610 C TYR A 42 5.134 -0.938 4.295 1.00 0.00 C ATOM 611 O TYR A 42 5.280 -0.784 5.508 1.00 0.00 O ATOM 612 CB TYR A 42 3.594 0.634 3.106 1.00 0.00 C ATOM 613 CG TYR A 42 3.371 1.668 4.187 1.00 0.00 C ATOM 614 CD1 TYR A 42 2.109 1.871 4.732 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.423 2.442 4.662 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.901 2.815 5.719 1.00 0.00 C ATOM 617 CE2 TYR A 42 4.224 3.387 5.650 1.00 0.00 C ATOM 618 CZ TYR A 42 2.962 3.570 6.175 1.00 0.00 C ATOM 619 OH TYR A 42 2.759 4.511 7.158 1.00 0.00 O ATOM 0 H TYR A 42 2.631 -0.452 5.378 1.00 0.00 H new ATOM 0 HA TYR A 42 3.695 -1.493 2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.481 0.905 2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.751 0.654 2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.277 1.281 4.378 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.412 2.302 4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.914 2.961 6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.053 3.979 6.009 1.00 0.00 H new ATOM 0 HH TYR A 42 3.608 4.955 7.366 1.00 0.00 H new ATOM 629 N VAL A 43 6.140 -1.238 3.479 1.00 0.00 N ATOM 630 CA VAL A 43 7.501 -1.407 3.972 1.00 0.00 C ATOM 631 C VAL A 43 8.522 -0.934 2.943 1.00 0.00 C ATOM 632 O VAL A 43 8.246 -0.915 1.744 1.00 0.00 O ATOM 633 CB VAL A 43 7.790 -2.878 4.328 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.542 -3.777 3.126 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.217 -3.032 4.833 1.00 0.00 C ATOM 0 H VAL A 43 6.037 -1.369 2.473 1.00 0.00 H new ATOM 0 HA VAL A 43 7.589 -0.799 4.872 1.00 0.00 H new ATOM 0 HB VAL A 43 7.111 -3.182 5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.751 -4.812 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.502 -3.687 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.195 -3.477 2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.405 -4.077 5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.914 -2.711 4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.356 -2.418 5.723 1.00 0.00 H new ATOM 645 N SER A 44 9.702 -0.553 3.421 1.00 0.00 N ATOM 646 CA SER A 44 10.764 -0.076 2.542 1.00 0.00 C ATOM 647 C SER A 44 11.664 -1.228 2.104 1.00 0.00 C ATOM 648 O SER A 44 12.686 -1.505 2.733 1.00 0.00 O ATOM 649 CB SER A 44 11.595 0.996 3.248 1.00 0.00 C ATOM 650 OG SER A 44 12.256 0.465 4.384 1.00 0.00 O ATOM 0 H SER A 44 9.947 -0.565 4.411 1.00 0.00 H new ATOM 0 HA SER A 44 10.302 0.358 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.330 1.406 2.555 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.949 1.820 3.552 1.00 0.00 H new ATOM 0 HG SER A 44 12.759 -0.335 4.125 1.00 0.00 H new ATOM 714 N SER A 50 8.496 0.880 8.040 1.00 0.00 N ATOM 715 CA SER A 50 7.246 0.181 7.765 1.00 0.00 C ATOM 716 C SER A 50 6.088 0.822 8.523 1.00 0.00 C ATOM 717 O SER A 50 6.275 1.402 9.592 1.00 0.00 O ATOM 718 CB SER A 50 7.367 -1.295 8.150 1.00 0.00 C ATOM 719 OG SER A 50 7.370 -1.457 9.558 1.00 0.00 O ATOM 0 HA SER A 50 7.044 0.255 6.696 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.538 -1.856 7.718 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.284 -1.709 7.731 1.00 0.00 H new ATOM 0 HG SER A 50 7.447 -2.409 9.778 1.00 0.00 H new ATOM 725 N GLY A 51 4.888 0.714 7.960 1.00 0.00 N ATOM 726 CA GLY A 51 3.716 1.287 8.595 1.00 0.00 C ATOM 727 C GLY A 51 2.505 0.380 8.505 1.00 0.00 C ATOM 728 O GLY A 51 2.604 -0.752 8.032 1.00 0.00 O ATOM 0 H GLY A 51 4.707 0.240 7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.937 1.490 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.485 2.244 8.127 1.00 0.00 H new ATOM 732 N GLN A 52 1.360 0.876 8.963 1.00 0.00 N ATOM 733 CA GLN A 52 0.126 0.100 8.934 1.00 0.00 C ATOM 734 C GLN A 52 -1.087 0.999 9.149 1.00 0.00 C ATOM 735 O GLN A 52 -1.232 1.625 10.200 1.00 0.00 O ATOM 736 CB GLN A 52 0.161 -0.994 10.002 1.00 0.00 C ATOM 737 CG GLN A 52 -1.183 -1.667 10.228 1.00 0.00 C ATOM 738 CD GLN A 52 -1.228 -2.461 11.518 1.00 0.00 C ATOM 739 OE1 GLN A 52 -2.184 -2.362 12.288 1.00 0.00 O ATOM 740 NE2 GLN A 52 -0.192 -3.255 11.762 1.00 0.00 N ATOM 0 H GLN A 52 1.261 1.811 9.358 1.00 0.00 H new ATOM 0 HA GLN A 52 0.042 -0.365 7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.892 -1.749 9.713 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.504 -0.562 10.942 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.966 -0.909 10.245 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.399 -2.330 9.390 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.579 -3.306 11.096 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.167 -3.814 12.615 1.00 0.00 H new ATOM 749 N THR A 53 -1.959 1.059 8.147 1.00 0.00 N ATOM 750 CA THR A 53 -3.159 1.883 8.226 1.00 0.00 C ATOM 751 C THR A 53 -4.418 1.031 8.115 1.00 0.00 C ATOM 752 O THR A 53 -4.368 -0.109 7.655 1.00 0.00 O ATOM 753 CB THR A 53 -3.179 2.954 7.120 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.359 3.757 7.236 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.131 2.311 5.742 1.00 0.00 C ATOM 0 H THR A 53 -1.856 0.547 7.271 1.00 0.00 H new ATOM 0 HA THR A 53 -3.141 2.376 9.198 1.00 0.00 H new ATOM 0 HB THR A 53 -2.298 3.584 7.240 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.363 4.437 6.530 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.146 3.088 4.977 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.217 1.725 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.995 1.659 5.614 1.00 0.00 H new ATOM 763 N GLU A 54 -5.546 1.592 8.540 1.00 0.00 N ATOM 764 CA GLU A 54 -6.818 0.882 8.488 1.00 0.00 C ATOM 765 C GLU A 54 -7.827 1.636 7.626 1.00 0.00 C ATOM 766 O GLU A 54 -7.861 2.866 7.624 1.00 0.00 O ATOM 767 CB GLU A 54 -7.379 0.691 9.899 1.00 0.00 C ATOM 768 CG GLU A 54 -6.881 -0.570 10.586 1.00 0.00 C ATOM 769 CD GLU A 54 -7.443 -0.733 11.985 1.00 0.00 C ATOM 770 OE1 GLU A 54 -7.300 0.207 12.795 1.00 0.00 O ATOM 771 OE2 GLU A 54 -8.026 -1.800 12.269 1.00 0.00 O ATOM 0 H GLU A 54 -5.604 2.535 8.924 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.641 -0.096 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.112 1.555 10.507 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.467 0.661 9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.153 -1.438 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.792 -0.546 10.636 1.00 0.00 H new ATOM 778 N ALA A 55 -8.647 0.888 6.894 1.00 0.00 N ATOM 779 CA ALA A 55 -9.657 1.484 6.029 1.00 0.00 C ATOM 780 C ALA A 55 -10.922 0.634 5.996 1.00 0.00 C ATOM 781 O ALA A 55 -10.890 -0.578 6.210 1.00 0.00 O ATOM 782 CB ALA A 55 -9.105 1.669 4.623 1.00 0.00 C ATOM 0 H ALA A 55 -8.631 -0.132 6.883 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.918 2.461 6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.870 2.115 3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.234 2.324 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.815 0.701 4.216 1.00 0.00 H new ATOM 788 N PRO A 56 -12.064 1.281 5.722 1.00 0.00 N ATOM 789 CA PRO A 56 -13.362 0.603 5.654 1.00 0.00 C ATOM 790 C PRO A 56 -13.475 -0.313 4.440 1.00 0.00 C ATOM 791 O PRO A 56 -12.911 -0.031 3.383 1.00 0.00 O ATOM 792 CB PRO A 56 -14.361 1.758 5.547 1.00 0.00 C ATOM 793 CG PRO A 56 -13.583 2.877 4.946 1.00 0.00 C ATOM 794 CD PRO A 56 -12.177 2.725 5.456 1.00 0.00 C ATOM 0 HA PRO A 56 -13.529 -0.044 6.515 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.213 1.488 4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.756 2.031 6.525 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.610 2.831 3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.001 3.842 5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.445 3.056 4.720 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.011 3.314 6.358 1.00 0.00 H new ATOM 802 N GLY A 57 -14.208 -1.411 4.598 1.00 0.00 N ATOM 803 CA GLY A 57 -14.382 -2.351 3.506 1.00 0.00 C ATOM 804 C GLY A 57 -14.947 -1.696 2.262 1.00 0.00 C ATOM 805 O GLY A 57 -14.937 -2.286 1.182 1.00 0.00 O ATOM 0 H GLY A 57 -14.685 -1.666 5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.422 -2.808 3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.047 -3.154 3.824 1.00 0.00 H new ATOM 809 N ASN A 58 -15.444 -0.472 2.412 1.00 0.00 N ATOM 810 CA ASN A 58 -16.018 0.263 1.291 1.00 0.00 C ATOM 811 C ASN A 58 -14.943 1.048 0.547 1.00 0.00 C ATOM 812 O ASN A 58 -15.022 1.232 -0.667 1.00 0.00 O ATOM 813 CB ASN A 58 -17.111 1.214 1.785 1.00 0.00 C ATOM 814 CG ASN A 58 -18.184 0.499 2.582 1.00 0.00 C ATOM 815 OD1 ASN A 58 -18.736 -0.508 2.137 1.00 0.00 O ATOM 816 ND2 ASN A 58 -18.485 1.017 3.767 1.00 0.00 N ATOM 0 H ASN A 58 -15.461 0.031 3.299 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.457 -0.459 0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.661 1.991 2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.569 1.712 0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.199 0.579 4.349 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.002 1.853 4.096 1.00 0.00 H new ATOM 823 N ALA A 59 -13.937 1.509 1.284 1.00 0.00 N ATOM 824 CA ALA A 59 -12.844 2.272 0.694 1.00 0.00 C ATOM 825 C ALA A 59 -12.108 1.451 -0.359 1.00 0.00 C ATOM 826 O ALA A 59 -11.536 0.403 -0.057 1.00 0.00 O ATOM 827 CB ALA A 59 -11.879 2.734 1.776 1.00 0.00 C ATOM 0 H ALA A 59 -13.857 1.367 2.291 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.268 3.148 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.068 3.303 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.408 3.365 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.469 1.866 2.292 1.00 0.00 H new ATOM 833 N THR A 60 -12.126 1.933 -1.598 1.00 0.00 N ATOM 834 CA THR A 60 -11.462 1.244 -2.696 1.00 0.00 C ATOM 835 C THR A 60 -10.136 1.912 -3.044 1.00 0.00 C ATOM 836 O THR A 60 -9.605 1.726 -4.139 1.00 0.00 O ATOM 837 CB THR A 60 -12.350 1.205 -3.954 1.00 0.00 C ATOM 838 OG1 THR A 60 -13.054 2.444 -4.095 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.344 0.056 -3.879 1.00 0.00 C ATOM 0 H THR A 60 -12.594 2.799 -1.865 1.00 0.00 H new ATOM 0 HA THR A 60 -11.274 0.224 -2.361 1.00 0.00 H new ATOM 0 HB THR A 60 -11.708 1.052 -4.821 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.615 2.412 -4.898 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.960 0.049 -4.778 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.804 -0.888 -3.801 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.981 0.183 -3.004 1.00 0.00 H new ATOM 847 N SER A 61 -9.607 2.690 -2.106 1.00 0.00 N ATOM 848 CA SER A 61 -8.344 3.388 -2.315 1.00 0.00 C ATOM 849 C SER A 61 -7.880 4.068 -1.030 1.00 0.00 C ATOM 850 O SER A 61 -8.681 4.651 -0.299 1.00 0.00 O ATOM 851 CB SER A 61 -8.489 4.425 -3.430 1.00 0.00 C ATOM 852 OG SER A 61 -9.607 5.266 -3.202 1.00 0.00 O ATOM 0 H SER A 61 -10.033 2.853 -1.194 1.00 0.00 H new ATOM 0 HA SER A 61 -7.595 2.652 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.583 5.028 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.600 3.919 -4.389 1.00 0.00 H new ATOM 0 HG SER A 61 -9.773 5.813 -3.998 1.00 0.00 H new ATOM 858 N ALA A 62 -6.581 3.989 -0.762 1.00 0.00 N ATOM 859 CA ALA A 62 -6.009 4.598 0.433 1.00 0.00 C ATOM 860 C ALA A 62 -4.688 5.291 0.117 1.00 0.00 C ATOM 861 O ALA A 62 -4.041 4.986 -0.885 1.00 0.00 O ATOM 862 CB ALA A 62 -5.811 3.549 1.517 1.00 0.00 C ATOM 0 H ALA A 62 -5.905 3.509 -1.356 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.707 5.352 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.383 4.018 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.772 3.102 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.135 2.774 1.155 1.00 0.00 H new ATOM 868 N MET A 63 -4.294 6.224 0.977 1.00 0.00 N ATOM 869 CA MET A 63 -3.049 6.959 0.789 1.00 0.00 C ATOM 870 C MET A 63 -1.972 6.458 1.746 1.00 0.00 C ATOM 871 O MET A 63 -2.274 5.863 2.781 1.00 0.00 O ATOM 872 CB MET A 63 -3.279 8.457 1.001 1.00 0.00 C ATOM 873 CG MET A 63 -4.116 9.103 -0.091 1.00 0.00 C ATOM 874 SD MET A 63 -3.699 10.838 -0.351 1.00 0.00 S ATOM 875 CE MET A 63 -2.146 10.685 -1.230 1.00 0.00 C ATOM 0 H MET A 63 -4.819 6.489 1.811 1.00 0.00 H new ATOM 0 HA MET A 63 -2.708 6.792 -0.233 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.771 8.608 1.962 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.314 8.961 1.054 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.975 8.556 -1.023 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.171 9.022 0.170 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.876 11.649 -1.662 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.366 10.366 -0.538 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.249 9.947 -2.025 1.00 0.00 H new ATOM 885 N LEU A 64 -0.714 6.704 1.395 1.00 0.00 N ATOM 886 CA LEU A 64 0.409 6.277 2.223 1.00 0.00 C ATOM 887 C LEU A 64 1.412 7.412 2.407 1.00 0.00 C ATOM 888 O LEU A 64 1.499 8.317 1.579 1.00 0.00 O ATOM 889 CB LEU A 64 1.100 5.066 1.595 1.00 0.00 C ATOM 890 CG LEU A 64 0.206 3.862 1.297 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.997 2.772 0.591 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.414 3.328 2.580 1.00 0.00 C ATOM 0 H LEU A 64 -0.446 7.197 0.543 1.00 0.00 H new ATOM 0 HA LEU A 64 0.021 5.998 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.570 5.383 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.900 4.743 2.262 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.598 4.185 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.344 1.923 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.393 3.160 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.822 2.451 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.047 2.471 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.376 3.021 3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.016 4.109 3.046 1.00 0.00 H new ATOM 904 N GLY A 65 2.170 7.354 3.498 1.00 0.00 N ATOM 905 CA GLY A 65 3.158 8.381 3.769 1.00 0.00 C ATOM 906 C GLY A 65 3.159 8.815 5.222 1.00 0.00 C ATOM 907 O GLY A 65 2.292 8.431 6.007 1.00 0.00 O ATOM 0 H GLY A 65 2.117 6.614 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.147 8.008 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.962 9.246 3.135 1.00 0.00 H new ATOM 911 N PRO A 66 4.153 9.634 5.598 1.00 0.00 N ATOM 912 CA PRO A 66 5.190 10.098 4.671 1.00 0.00 C ATOM 913 C PRO A 66 6.139 8.978 4.256 1.00 0.00 C ATOM 914 O PRO A 66 6.592 8.193 5.091 1.00 0.00 O ATOM 915 CB PRO A 66 5.939 11.160 5.480 1.00 0.00 C ATOM 916 CG PRO A 66 5.713 10.782 6.903 1.00 0.00 C ATOM 917 CD PRO A 66 4.340 10.171 6.956 1.00 0.00 C ATOM 0 HA PRO A 66 4.766 10.472 3.739 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.001 11.167 5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.557 12.159 5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.469 10.074 7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.777 11.654 7.553 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.278 9.387 7.710 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.580 10.912 7.203 1.00 0.00 H new ATOM 925 N LEU A 67 6.436 8.909 2.964 1.00 0.00 N ATOM 926 CA LEU A 67 7.332 7.885 2.438 1.00 0.00 C ATOM 927 C LEU A 67 8.643 8.502 1.960 1.00 0.00 C ATOM 928 O LEU A 67 8.795 9.723 1.941 1.00 0.00 O ATOM 929 CB LEU A 67 6.660 7.134 1.287 1.00 0.00 C ATOM 930 CG LEU A 67 5.232 6.651 1.544 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.738 5.802 0.383 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.160 5.869 2.848 1.00 0.00 C ATOM 0 H LEU A 67 6.070 9.550 2.260 1.00 0.00 H new ATOM 0 HA LEU A 67 7.553 7.183 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.650 7.784 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.275 6.270 1.035 1.00 0.00 H new ATOM 0 HG LEU A 67 4.584 7.523 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.720 5.467 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.751 6.394 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.388 4.935 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.137 5.533 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.821 5.004 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.471 6.509 3.674 1.00 0.00 H new ATOM 944 N SER A 68 9.586 7.648 1.574 1.00 0.00 N ATOM 945 CA SER A 68 10.885 8.109 1.098 1.00 0.00 C ATOM 946 C SER A 68 10.831 8.442 -0.390 1.00 0.00 C ATOM 947 O SER A 68 9.782 8.332 -1.025 1.00 0.00 O ATOM 948 CB SER A 68 11.953 7.044 1.355 1.00 0.00 C ATOM 949 OG SER A 68 13.245 7.623 1.421 1.00 0.00 O ATOM 0 H SER A 68 9.475 6.634 1.582 1.00 0.00 H new ATOM 0 HA SER A 68 11.145 9.014 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.736 6.524 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.926 6.298 0.561 1.00 0.00 H new ATOM 0 HG SER A 68 13.909 6.922 1.588 1.00 0.00 H new ATOM 955 N SER A 69 11.970 8.851 -0.940 1.00 0.00 N ATOM 956 CA SER A 69 12.054 9.204 -2.352 1.00 0.00 C ATOM 957 C SER A 69 12.950 8.226 -3.105 1.00 0.00 C ATOM 958 O SER A 69 13.916 7.700 -2.552 1.00 0.00 O ATOM 959 CB SER A 69 12.587 10.629 -2.512 1.00 0.00 C ATOM 960 OG SER A 69 13.784 10.811 -1.777 1.00 0.00 O ATOM 0 H SER A 69 12.848 8.946 -0.429 1.00 0.00 H new ATOM 0 HA SER A 69 11.051 9.149 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.769 10.836 -3.567 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.836 11.342 -2.172 1.00 0.00 H new ATOM 0 HG SER A 69 14.271 11.584 -2.131 1.00 0.00 H new ATOM 966 N SER A 70 12.623 7.987 -4.371 1.00 0.00 N ATOM 967 CA SER A 70 13.396 7.070 -5.200 1.00 0.00 C ATOM 968 C SER A 70 13.614 5.741 -4.483 1.00 0.00 C ATOM 969 O SER A 70 14.592 5.038 -4.736 1.00 0.00 O ATOM 970 CB SER A 70 14.745 7.692 -5.566 1.00 0.00 C ATOM 971 OG SER A 70 15.517 6.807 -6.359 1.00 0.00 O ATOM 0 H SER A 70 11.828 8.416 -4.845 1.00 0.00 H new ATOM 0 HA SER A 70 12.831 6.882 -6.113 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.584 8.624 -6.108 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.292 7.942 -4.657 1.00 0.00 H new ATOM 0 HG SER A 70 15.566 5.932 -5.920 1.00 0.00 H new ATOM 977 N THR A 71 12.693 5.403 -3.585 1.00 0.00 N ATOM 978 CA THR A 71 12.783 4.161 -2.829 1.00 0.00 C ATOM 979 C THR A 71 11.600 3.248 -3.128 1.00 0.00 C ATOM 980 O THR A 71 10.458 3.702 -3.217 1.00 0.00 O ATOM 981 CB THR A 71 12.841 4.428 -1.313 1.00 0.00 C ATOM 982 OG1 THR A 71 13.914 5.327 -1.014 1.00 0.00 O ATOM 983 CG2 THR A 71 13.029 3.131 -0.541 1.00 0.00 C ATOM 0 H THR A 71 11.876 5.973 -3.364 1.00 0.00 H new ATOM 0 HA THR A 71 13.705 3.669 -3.139 1.00 0.00 H new ATOM 0 HB THR A 71 11.896 4.878 -1.010 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.768 6.177 -1.479 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.067 3.346 0.527 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.195 2.461 -0.747 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.960 2.656 -0.849 1.00 0.00 H new ATOM 991 N THR A 72 11.878 1.957 -3.282 1.00 0.00 N ATOM 992 CA THR A 72 10.835 0.980 -3.571 1.00 0.00 C ATOM 993 C THR A 72 10.171 0.489 -2.290 1.00 0.00 C ATOM 994 O THR A 72 10.806 -0.160 -1.459 1.00 0.00 O ATOM 995 CB THR A 72 11.398 -0.230 -4.341 1.00 0.00 C ATOM 996 OG1 THR A 72 11.710 0.147 -5.687 1.00 0.00 O ATOM 997 CG2 THR A 72 10.400 -1.378 -4.349 1.00 0.00 C ATOM 0 H THR A 72 12.816 1.564 -3.211 1.00 0.00 H new ATOM 0 HA THR A 72 10.093 1.483 -4.191 1.00 0.00 H new ATOM 0 HB THR A 72 12.306 -0.562 -3.838 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.069 -0.627 -6.169 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.819 -2.221 -4.898 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.187 -1.682 -3.324 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.477 -1.054 -4.830 1.00 0.00 H new ATOM 1005 N TYR A 73 8.889 0.802 -2.137 1.00 0.00 N ATOM 1006 CA TYR A 73 8.139 0.394 -0.955 1.00 0.00 C ATOM 1007 C TYR A 73 7.121 -0.689 -1.303 1.00 0.00 C ATOM 1008 O TYR A 73 6.298 -0.519 -2.203 1.00 0.00 O ATOM 1009 CB TYR A 73 7.427 1.598 -0.336 1.00 0.00 C ATOM 1010 CG TYR A 73 8.281 2.367 0.646 1.00 0.00 C ATOM 1011 CD1 TYR A 73 9.355 3.135 0.211 1.00 0.00 C ATOM 1012 CD2 TYR A 73 8.016 2.325 2.009 1.00 0.00 C ATOM 1013 CE1 TYR A 73 10.138 3.838 1.105 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.793 3.027 2.910 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.853 3.782 2.454 1.00 0.00 C ATOM 1016 OH TYR A 73 10.631 4.481 3.348 1.00 0.00 O ATOM 0 H TYR A 73 8.348 1.337 -2.816 1.00 0.00 H new ATOM 0 HA TYR A 73 8.845 -0.014 -0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 73 7.109 2.271 -1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.525 1.255 0.171 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.581 3.183 -0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.188 1.733 2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.969 4.429 0.750 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.571 2.985 3.966 1.00 0.00 H new ATOM 0 HH TYR A 73 10.296 4.335 4.257 1.00 0.00 H new ATOM 1026 N THR A 74 7.184 -1.804 -0.582 1.00 0.00 N ATOM 1027 CA THR A 74 6.270 -2.915 -0.813 1.00 0.00 C ATOM 1028 C THR A 74 4.993 -2.756 0.003 1.00 0.00 C ATOM 1029 O THR A 74 4.995 -2.937 1.220 1.00 0.00 O ATOM 1030 CB THR A 74 6.926 -4.264 -0.461 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.173 -4.398 -1.151 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.010 -5.423 -0.827 1.00 0.00 C ATOM 0 H THR A 74 7.859 -1.961 0.167 1.00 0.00 H new ATOM 0 HA THR A 74 6.023 -2.905 -1.875 1.00 0.00 H new ATOM 0 HB THR A 74 7.103 -4.287 0.614 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.584 -5.257 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.494 -6.365 -0.569 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.073 -5.334 -0.277 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.805 -5.401 -1.897 1.00 0.00 H new ATOM 1040 N VAL A 75 3.902 -2.415 -0.676 1.00 0.00 N ATOM 1041 CA VAL A 75 2.615 -2.232 -0.013 1.00 0.00 C ATOM 1042 C VAL A 75 1.796 -3.518 -0.040 1.00 0.00 C ATOM 1043 O VAL A 75 1.914 -4.322 -0.965 1.00 0.00 O ATOM 1044 CB VAL A 75 1.801 -1.103 -0.671 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.464 -0.928 0.034 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.591 0.197 -0.665 1.00 0.00 C ATOM 0 H VAL A 75 3.883 -2.260 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 75 2.826 -1.961 1.021 1.00 0.00 H new ATOM 0 HB VAL A 75 1.605 -1.377 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.098 -0.126 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.104 -1.856 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.635 -0.677 1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.000 0.984 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.820 0.479 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.520 0.061 -1.219 1.00 0.00 H new ATOM 1056 N ARG A 76 0.965 -3.705 0.980 1.00 0.00 N ATOM 1057 CA ARG A 76 0.126 -4.893 1.074 1.00 0.00 C ATOM 1058 C ARG A 76 -1.233 -4.553 1.679 1.00 0.00 C ATOM 1059 O ARG A 76 -1.334 -4.234 2.864 1.00 0.00 O ATOM 1060 CB ARG A 76 0.817 -5.967 1.916 1.00 0.00 C ATOM 1061 CG ARG A 76 1.686 -6.913 1.103 1.00 0.00 C ATOM 1062 CD ARG A 76 2.763 -7.557 1.962 1.00 0.00 C ATOM 1063 NE ARG A 76 3.863 -8.083 1.158 1.00 0.00 N ATOM 1064 CZ ARG A 76 5.059 -8.379 1.653 1.00 0.00 C ATOM 1065 NH1 ARG A 76 5.309 -8.202 2.943 1.00 0.00 N ATOM 1066 NH2 ARG A 76 6.009 -8.853 0.857 1.00 0.00 N ATOM 0 H ARG A 76 0.855 -3.049 1.753 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.030 -5.277 0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.433 -5.482 2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.059 -6.546 2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.063 -7.688 0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.152 -6.367 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.150 -6.823 2.669 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.324 -8.364 2.548 1.00 0.00 H new ATOM 0 HE ARG A 76 3.704 -8.231 0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.582 -7.838 3.558 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.229 -8.430 3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.821 -8.990 -0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.927 -9.080 1.238 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.276 -4.623 0.858 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.628 -4.323 1.312 1.00 0.00 C ATOM 1082 C VAL A 77 -4.359 -5.591 1.738 1.00 0.00 C ATOM 1083 O VAL A 77 -4.807 -6.374 0.900 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.445 -3.617 0.214 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.842 -3.286 0.718 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.729 -2.361 -0.258 1.00 0.00 C ATOM 0 H VAL A 77 -2.210 -4.885 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.533 -3.657 2.169 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.541 -4.294 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.405 -2.788 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.353 -4.205 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.770 -2.628 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.320 -1.875 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.600 -1.678 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.752 -2.629 -0.661 1.00 0.00 H new ATOM 1096 N THR A 78 -4.476 -5.789 3.047 1.00 0.00 N ATOM 1097 CA THR A 78 -5.152 -6.963 3.585 1.00 0.00 C ATOM 1098 C THR A 78 -6.596 -6.645 3.954 1.00 0.00 C ATOM 1099 O THR A 78 -6.856 -5.858 4.864 1.00 0.00 O ATOM 1100 CB THR A 78 -4.425 -7.509 4.829 1.00 0.00 C ATOM 1101 OG1 THR A 78 -3.026 -7.646 4.558 1.00 0.00 O ATOM 1102 CG2 THR A 78 -5.001 -8.854 5.245 1.00 0.00 C ATOM 0 H THR A 78 -4.111 -5.151 3.755 1.00 0.00 H new ATOM 0 HA THR A 78 -5.138 -7.722 2.803 1.00 0.00 H new ATOM 0 HB THR A 78 -4.568 -6.802 5.646 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.571 -7.992 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.472 -9.220 6.125 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.059 -8.740 5.479 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.885 -9.568 4.429 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.533 -7.263 3.242 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.953 -7.045 3.494 1.00 0.00 C ATOM 1112 C CYS A 79 -9.518 -8.136 4.398 1.00 0.00 C ATOM 1113 O CYS A 79 -9.768 -9.257 3.954 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.727 -7.007 2.175 1.00 0.00 C ATOM 1115 SG CYS A 79 -9.214 -5.682 1.056 1.00 0.00 S ATOM 0 H CYS A 79 -7.335 -7.919 2.486 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.064 -6.086 3.999 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.606 -7.964 1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.789 -6.894 2.392 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.924 -5.734 -0.032 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.716 -7.800 5.668 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.250 -8.752 6.636 1.00 0.00 C ATOM 1123 C LEU A 80 -11.745 -8.965 6.423 1.00 0.00 C ATOM 1124 O LEU A 80 -12.559 -8.103 6.755 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.992 -8.259 8.061 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.658 -8.674 8.684 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.456 -10.176 8.560 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.508 -7.923 8.030 1.00 0.00 C ATOM 0 H LEU A 80 -9.515 -6.876 6.051 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.742 -9.705 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.048 -7.170 8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.797 -8.621 8.701 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.677 -8.417 9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.502 -10.453 9.009 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.264 -10.696 9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.457 -10.458 7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.567 -8.231 8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.486 -8.148 6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.646 -6.851 8.171 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.100 -10.118 5.868 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.497 -10.444 5.610 1.00 0.00 C ATOM 1142 C TYR A 81 -14.182 -10.948 6.876 1.00 0.00 C ATOM 1143 O TYR A 81 -13.591 -11.653 7.694 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.601 -11.499 4.507 1.00 0.00 C ATOM 1145 CG TYR A 81 -12.804 -11.161 3.267 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.170 -10.097 2.452 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -11.685 -11.904 2.913 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.445 -9.784 1.318 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -10.953 -11.598 1.782 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.337 -10.537 0.987 1.00 0.00 C ATOM 1151 OH TYR A 81 -10.612 -10.228 -0.140 1.00 0.00 O ATOM 0 H TYR A 81 -11.439 -10.843 5.588 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.001 -9.534 5.283 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.258 -12.457 4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.649 -11.623 4.233 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.036 -9.505 2.709 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.382 -12.735 3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.744 -8.955 0.694 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.085 -12.186 1.521 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.672 -9.265 -0.314 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.461 -10.577 7.044 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.256 -10.980 8.207 1.00 0.00 C ATOM 1163 C PRO A 82 -16.586 -12.468 8.197 1.00 0.00 C ATOM 1164 O PRO A 82 -17.638 -12.877 7.707 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.533 -10.147 8.070 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.640 -9.857 6.612 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.228 -9.737 6.109 1.00 0.00 C ATOM 0 HA PRO A 82 -15.722 -10.815 9.143 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.404 -10.695 8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.471 -9.228 8.653 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.172 -10.654 6.094 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.196 -8.936 6.437 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.136 -10.091 5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.883 -8.703 6.122 1.00 0.00 H new ATOM 1207 N SER A 87 -7.673 -11.622 2.347 1.00 0.00 N ATOM 1208 CA SER A 87 -6.795 -11.539 1.186 1.00 0.00 C ATOM 1209 C SER A 87 -5.646 -10.568 1.442 1.00 0.00 C ATOM 1210 O SER A 87 -5.639 -9.844 2.438 1.00 0.00 O ATOM 1211 CB SER A 87 -7.585 -11.098 -0.048 1.00 0.00 C ATOM 1212 OG SER A 87 -6.923 -11.480 -1.241 1.00 0.00 O ATOM 0 HA SER A 87 -6.378 -12.530 1.006 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.581 -11.541 -0.023 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.717 -10.016 -0.032 1.00 0.00 H new ATOM 0 HG SER A 87 -7.554 -11.940 -1.833 1.00 0.00 H new ATOM 1218 N THR A 88 -4.675 -10.558 0.534 1.00 0.00 N ATOM 1219 CA THR A 88 -3.519 -9.678 0.660 1.00 0.00 C ATOM 1220 C THR A 88 -3.028 -9.216 -0.707 1.00 0.00 C ATOM 1221 O THR A 88 -2.402 -9.979 -1.444 1.00 0.00 O ATOM 1222 CB THR A 88 -2.362 -10.374 1.401 1.00 0.00 C ATOM 1223 OG1 THR A 88 -2.843 -10.974 2.608 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.255 -9.383 1.727 1.00 0.00 C ATOM 0 H THR A 88 -4.666 -11.149 -0.297 1.00 0.00 H new ATOM 0 HA THR A 88 -3.842 -8.812 1.238 1.00 0.00 H new ATOM 0 HB THR A 88 -1.956 -11.147 0.749 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.101 -11.416 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.449 -9.897 2.250 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.870 -8.950 0.803 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.652 -8.590 2.361 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.316 -7.963 -1.041 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.902 -7.398 -2.321 1.00 0.00 C ATOM 1234 C LEU A 89 -1.551 -6.701 -2.197 1.00 0.00 C ATOM 1235 O LEU A 89 -1.446 -5.627 -1.604 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.954 -6.410 -2.828 1.00 0.00 C ATOM 1237 CG LEU A 89 -5.088 -7.006 -3.663 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.218 -6.002 -3.823 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.571 -7.452 -5.023 1.00 0.00 C ATOM 0 H LEU A 89 -3.834 -7.319 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.804 -8.214 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.391 -5.903 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.451 -5.649 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.478 -7.880 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.016 -6.444 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.607 -5.732 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.843 -5.109 -4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.391 -7.874 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.154 -6.595 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.797 -8.207 -4.888 1.00 0.00 H new ATOM 1251 N THR A 90 -0.519 -7.318 -2.763 1.00 0.00 N ATOM 1252 CA THR A 90 0.826 -6.757 -2.717 1.00 0.00 C ATOM 1253 C THR A 90 1.093 -5.872 -3.929 1.00 0.00 C ATOM 1254 O THR A 90 0.771 -6.236 -5.059 1.00 0.00 O ATOM 1255 CB THR A 90 1.895 -7.865 -2.659 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.109 -8.408 -3.966 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.474 -8.973 -1.706 1.00 0.00 C ATOM 0 H THR A 90 -0.589 -8.207 -3.259 1.00 0.00 H new ATOM 0 HA THR A 90 0.887 -6.155 -1.810 1.00 0.00 H new ATOM 0 HB THR A 90 2.823 -7.426 -2.293 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.791 -9.110 -3.921 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.244 -9.744 -1.681 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.341 -8.561 -0.706 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.535 -9.409 -2.047 1.00 0.00 H new ATOM 1265 N GLY A 91 1.686 -4.707 -3.686 1.00 0.00 N ATOM 1266 CA GLY A 91 1.988 -3.788 -4.768 1.00 0.00 C ATOM 1267 C GLY A 91 3.220 -2.950 -4.490 1.00 0.00 C ATOM 1268 O GLY A 91 3.320 -2.308 -3.445 1.00 0.00 O ATOM 0 H GLY A 91 1.963 -4.383 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.136 -4.352 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.134 -3.130 -4.931 1.00 0.00 H new ATOM 1272 N ARG A 92 4.162 -2.958 -5.428 1.00 0.00 N ATOM 1273 CA ARG A 92 5.396 -2.195 -5.278 1.00 0.00 C ATOM 1274 C ARG A 92 5.295 -0.852 -5.996 1.00 0.00 C ATOM 1275 O ARG A 92 5.005 -0.795 -7.190 1.00 0.00 O ATOM 1276 CB ARG A 92 6.582 -2.991 -5.826 1.00 0.00 C ATOM 1277 CG ARG A 92 7.007 -4.144 -4.931 1.00 0.00 C ATOM 1278 CD ARG A 92 8.305 -4.773 -5.412 1.00 0.00 C ATOM 1279 NE ARG A 92 8.089 -5.689 -6.529 1.00 0.00 N ATOM 1280 CZ ARG A 92 7.555 -6.898 -6.395 1.00 0.00 C ATOM 1281 NH1 ARG A 92 7.185 -7.333 -5.198 1.00 0.00 N ATOM 1282 NH2 ARG A 92 7.390 -7.673 -7.459 1.00 0.00 N ATOM 0 H ARG A 92 4.094 -3.484 -6.299 1.00 0.00 H new ATOM 0 HA ARG A 92 5.552 -2.009 -4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.323 -3.382 -6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.428 -2.318 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.132 -3.786 -3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.221 -4.899 -4.911 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.997 -3.988 -5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.774 -5.311 -4.588 1.00 0.00 H new ATOM 0 HE ARG A 92 8.363 -5.384 -7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.310 -6.739 -4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.775 -8.262 -5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.673 -7.341 -8.381 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.980 -8.601 -7.355 1.00 0.00 H new ATOM 1296 N VAL A 93 5.538 0.227 -5.258 1.00 0.00 N ATOM 1297 CA VAL A 93 5.475 1.569 -5.823 1.00 0.00 C ATOM 1298 C VAL A 93 6.737 2.361 -5.499 1.00 0.00 C ATOM 1299 O VAL A 93 6.918 2.829 -4.374 1.00 0.00 O ATOM 1300 CB VAL A 93 4.249 2.342 -5.302 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.169 2.256 -3.785 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.298 3.791 -5.760 1.00 0.00 C ATOM 0 H VAL A 93 5.780 0.197 -4.268 1.00 0.00 H new ATOM 0 HA VAL A 93 5.389 1.453 -6.903 1.00 0.00 H new ATOM 0 HB VAL A 93 3.350 1.885 -5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.297 2.808 -3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.083 1.212 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.070 2.686 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.424 4.322 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.203 4.263 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.303 3.828 -6.849 1.00 0.00 H new ATOM 1312 N THR A 94 7.608 2.509 -6.492 1.00 0.00 N ATOM 1313 CA THR A 94 8.854 3.244 -6.313 1.00 0.00 C ATOM 1314 C THR A 94 8.591 4.735 -6.128 1.00 0.00 C ATOM 1315 O THR A 94 8.276 5.444 -7.085 1.00 0.00 O ATOM 1316 CB THR A 94 9.801 3.046 -7.511 1.00 0.00 C ATOM 1317 OG1 THR A 94 10.194 1.672 -7.603 1.00 0.00 O ATOM 1318 CG2 THR A 94 11.035 3.924 -7.377 1.00 0.00 C ATOM 0 H THR A 94 7.473 2.129 -7.429 1.00 0.00 H new ATOM 0 HA THR A 94 9.329 2.847 -5.416 1.00 0.00 H new ATOM 0 HB THR A 94 9.268 3.333 -8.418 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.717 1.428 -6.811 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.689 3.766 -8.235 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.734 4.971 -7.337 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.568 3.665 -6.462 1.00 0.00 H new ATOM 1326 N THR A 95 8.723 5.206 -4.892 1.00 0.00 N ATOM 1327 CA THR A 95 8.500 6.612 -4.582 1.00 0.00 C ATOM 1328 C THR A 95 9.232 7.515 -5.568 1.00 0.00 C ATOM 1329 O THR A 95 10.318 7.182 -6.043 1.00 0.00 O ATOM 1330 CB THR A 95 8.960 6.952 -3.152 1.00 0.00 C ATOM 1331 OG1 THR A 95 10.265 6.413 -2.916 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.984 6.401 -2.124 1.00 0.00 C ATOM 0 H THR A 95 8.983 4.633 -4.089 1.00 0.00 H new ATOM 0 HA THR A 95 7.427 6.787 -4.661 1.00 0.00 H new ATOM 0 HB THR A 95 8.993 8.037 -3.053 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.217 5.434 -2.901 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.330 6.654 -1.122 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.998 6.836 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.923 5.317 -2.224 1.00 0.00 H new ATOM 1340 N LYS A 96 8.632 8.661 -5.871 1.00 0.00 N ATOM 1341 CA LYS A 96 9.228 9.615 -6.799 1.00 0.00 C ATOM 1342 C LYS A 96 10.419 10.324 -6.162 1.00 0.00 C ATOM 1343 O LYS A 96 10.620 10.253 -4.949 1.00 0.00 O ATOM 1344 CB LYS A 96 8.186 10.645 -7.243 1.00 0.00 C ATOM 1345 CG LYS A 96 6.798 10.061 -7.438 1.00 0.00 C ATOM 1346 CD LYS A 96 6.041 10.778 -8.543 1.00 0.00 C ATOM 1347 CE LYS A 96 5.109 9.832 -9.285 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.076 10.569 -10.064 1.00 0.00 N ATOM 0 H LYS A 96 7.733 8.952 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 96 9.580 9.063 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.135 11.441 -6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.514 11.101 -8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.879 9.001 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.238 10.133 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.464 11.599 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.750 11.217 -9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.691 9.203 -9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.621 9.169 -8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.605 9.915 -10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.372 10.972 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.528 11.335 -10.602 1.00 0.00 H new ATOM 1362 N LYS A 97 11.205 11.007 -6.986 1.00 0.00 N ATOM 1363 CA LYS A 97 12.375 11.732 -6.503 1.00 0.00 C ATOM 1364 C LYS A 97 11.961 12.973 -5.719 1.00 0.00 C ATOM 1365 O LYS A 97 11.010 13.662 -6.087 1.00 0.00 O ATOM 1366 CB LYS A 97 13.273 12.132 -7.676 1.00 0.00 C ATOM 1367 CG LYS A 97 14.252 11.047 -8.091 1.00 0.00 C ATOM 1368 CD LYS A 97 15.293 11.577 -9.062 1.00 0.00 C ATOM 1369 CE LYS A 97 16.080 10.447 -9.707 1.00 0.00 C ATOM 1370 NZ LYS A 97 17.295 10.097 -8.919 1.00 0.00 N ATOM 0 H LYS A 97 11.054 11.074 -7.992 1.00 0.00 H new ATOM 0 HA LYS A 97 12.931 11.072 -5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.647 12.391 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.831 13.029 -7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.748 10.646 -7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.709 10.223 -8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.803 12.168 -9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.976 12.244 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.442 9.568 -9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.373 10.738 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.804 9.323 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.916 10.929 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.014 9.795 -7.964 1.00 0.00 H new ATOM 1384 N ALA A 98 12.682 13.253 -4.639 1.00 0.00 N ATOM 1385 CA ALA A 98 12.392 14.413 -3.806 1.00 0.00 C ATOM 1386 C ALA A 98 13.316 15.578 -4.145 1.00 0.00 C ATOM 1387 O ALA A 98 14.501 15.399 -4.427 1.00 0.00 O ATOM 1388 CB ALA A 98 12.516 14.050 -2.333 1.00 0.00 C ATOM 0 H ALA A 98 13.472 12.692 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 98 11.367 14.726 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.297 14.926 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.810 13.255 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.530 13.709 -2.127 1.00 0.00 H new