USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 22 CYS SG : rot 180:sc= 0.289 USER MOD Set 1.2: A 71 TYR OH : rot -99:sc= 0.291 USER MOD Set 2.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 1.05 K(o=1,f=-0.11) USER MOD Single : A 11 GLN : amide:sc= 0.0512 K(o=0.051,f=-3.6!) USER MOD Single : A 12 MET CE :methyl -117:sc= -0.0403 (180deg=-0.268) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -168:sc= -0.321 (180deg=-0.353) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -140:sc= 0.42 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.36) USER MOD Single : A 58 SER OG : rot -114:sc= 1.2 USER MOD Single : A 61 THR OG1 : rot -140:sc=-0.00519 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -6.039 -5.775 -14.553 1.00 0.00 N ATOM 14 CA LEU A 7 -5.415 -5.360 -13.285 1.00 0.00 C ATOM 15 C LEU A 7 -3.905 -5.605 -13.281 1.00 0.00 C ATOM 16 O LEU A 7 -3.402 -6.441 -14.031 1.00 0.00 O ATOM 17 CB LEU A 7 -6.151 -5.994 -12.086 1.00 0.00 C ATOM 18 CG LEU A 7 -6.400 -7.517 -12.121 1.00 0.00 C ATOM 19 CD1 LEU A 7 -5.152 -8.368 -11.856 1.00 0.00 C ATOM 20 CD2 LEU A 7 -7.458 -7.864 -11.062 1.00 0.00 C ATOM 0 HA LEU A 7 -5.524 -4.280 -13.182 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.581 -5.768 -11.185 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.117 -5.498 -11.985 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.728 -7.753 -13.133 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.416 -9.425 -11.899 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.397 -8.152 -12.612 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.755 -8.133 -10.869 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.646 -8.938 -11.074 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.097 -7.569 -10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.383 -7.331 -11.284 1.00 0.00 H new ATOM 31 N LYS A 8 -3.162 -4.834 -12.484 1.00 0.00 N ATOM 32 CA LYS A 8 -1.721 -4.634 -12.718 1.00 0.00 C ATOM 33 C LYS A 8 -0.958 -4.036 -11.522 1.00 0.00 C ATOM 34 O LYS A 8 -1.536 -3.298 -10.713 1.00 0.00 O ATOM 35 CB LYS A 8 -1.538 -3.782 -13.988 1.00 0.00 C ATOM 36 CG LYS A 8 -2.424 -2.521 -14.015 1.00 0.00 C ATOM 37 CD LYS A 8 -1.866 -1.450 -14.952 1.00 0.00 C ATOM 38 CE LYS A 8 -0.717 -0.709 -14.259 1.00 0.00 C ATOM 39 NZ LYS A 8 -0.074 0.259 -15.168 1.00 0.00 N ATOM 0 H LYS A 8 -3.528 -4.337 -11.672 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.276 -5.620 -12.854 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.493 -3.484 -14.068 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.763 -4.393 -14.862 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.431 -2.792 -14.333 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.506 -2.114 -13.007 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.512 -1.909 -15.875 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.652 -0.747 -15.227 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.096 -0.188 -13.380 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.023 -1.429 -13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.699 0.743 -14.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.309 -0.242 -15.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.776 0.959 -15.482 1.00 0.00 H new ATOM 49 N THR A 9 0.335 -4.368 -11.411 1.00 0.00 N ATOM 50 CA THR A 9 1.193 -4.119 -10.237 1.00 0.00 C ATOM 51 C THR A 9 1.820 -2.725 -10.220 1.00 0.00 C ATOM 52 O THR A 9 1.932 -2.052 -11.244 1.00 0.00 O ATOM 53 CB THR A 9 2.237 -5.234 -10.121 1.00 0.00 C ATOM 54 OG1 THR A 9 2.667 -5.333 -8.786 1.00 0.00 O ATOM 55 CG2 THR A 9 3.464 -5.018 -11.005 1.00 0.00 C ATOM 0 H THR A 9 0.836 -4.837 -12.166 1.00 0.00 H new ATOM 0 HA THR A 9 0.556 -4.138 -9.352 1.00 0.00 H new ATOM 0 HB THR A 9 1.748 -6.148 -10.459 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.334 -6.047 -8.709 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.160 -5.846 -10.871 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.156 -4.969 -12.049 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.953 -4.085 -10.727 1.00 0.00 H new ATOM 63 N GLN A 10 2.266 -2.316 -9.036 1.00 0.00 N ATOM 64 CA GLN A 10 2.785 -0.993 -8.718 1.00 0.00 C ATOM 65 C GLN A 10 3.639 -1.091 -7.453 1.00 0.00 C ATOM 66 O GLN A 10 3.203 -1.703 -6.475 1.00 0.00 O ATOM 67 CB GLN A 10 1.594 -0.034 -8.491 1.00 0.00 C ATOM 68 CG GLN A 10 1.996 1.415 -8.174 1.00 0.00 C ATOM 69 CD GLN A 10 2.851 2.013 -9.286 1.00 0.00 C ATOM 70 OE1 GLN A 10 2.421 2.121 -10.429 1.00 0.00 O ATOM 71 NE2 GLN A 10 4.090 2.351 -9.022 1.00 0.00 N ATOM 0 H GLN A 10 2.275 -2.937 -8.227 1.00 0.00 H new ATOM 0 HA GLN A 10 3.399 -0.613 -9.534 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.966 -0.037 -9.382 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.986 -0.417 -7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.100 2.021 -8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.547 1.444 -7.234 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.451 2.263 -8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.692 2.702 -9.766 1.00 0.00 H new ATOM 78 N GLN A 11 4.822 -0.468 -7.451 1.00 0.00 N ATOM 79 CA GLN A 11 5.633 -0.267 -6.248 1.00 0.00 C ATOM 80 C GLN A 11 5.455 1.156 -5.681 1.00 0.00 C ATOM 81 O GLN A 11 5.112 2.092 -6.406 1.00 0.00 O ATOM 82 CB GLN A 11 7.115 -0.545 -6.568 1.00 0.00 C ATOM 83 CG GLN A 11 7.921 -0.937 -5.313 1.00 0.00 C ATOM 84 CD GLN A 11 9.417 -0.708 -5.462 1.00 0.00 C ATOM 85 OE1 GLN A 11 10.033 -0.010 -4.668 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.080 -1.257 -6.449 1.00 0.00 N ATOM 0 H GLN A 11 5.247 -0.085 -8.295 1.00 0.00 H new ATOM 0 HA GLN A 11 5.295 -0.967 -5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.181 -1.346 -7.305 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.559 0.342 -7.020 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.556 -0.363 -4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.742 -1.989 -5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.593 -1.844 -7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.083 -1.098 -6.540 1.00 0.00 H new ATOM 93 N MET A 12 5.746 1.328 -4.391 1.00 0.00 N ATOM 94 CA MET A 12 5.874 2.613 -3.693 1.00 0.00 C ATOM 95 C MET A 12 6.869 2.511 -2.526 1.00 0.00 C ATOM 96 O MET A 12 7.102 1.425 -1.991 1.00 0.00 O ATOM 97 CB MET A 12 4.489 3.087 -3.216 1.00 0.00 C ATOM 98 CG MET A 12 3.820 2.103 -2.244 1.00 0.00 C ATOM 99 SD MET A 12 2.117 2.502 -1.774 1.00 0.00 S ATOM 100 CE MET A 12 1.281 2.242 -3.359 1.00 0.00 C ATOM 0 H MET A 12 5.908 0.535 -3.770 1.00 0.00 H new ATOM 0 HA MET A 12 6.271 3.354 -4.387 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.591 4.057 -2.730 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.842 3.231 -4.082 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.830 1.111 -2.695 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.424 2.047 -1.338 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.851 3.183 -3.702 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.000 1.882 -4.095 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.488 1.504 -3.236 1.00 0.00 H new ATOM 108 N GLN A 13 7.424 3.645 -2.096 1.00 0.00 N ATOM 109 CA GLN A 13 8.075 3.771 -0.785 1.00 0.00 C ATOM 110 C GLN A 13 7.019 4.224 0.247 1.00 0.00 C ATOM 111 O GLN A 13 5.990 4.787 -0.129 1.00 0.00 O ATOM 112 CB GLN A 13 9.297 4.710 -0.908 1.00 0.00 C ATOM 113 CG GLN A 13 10.152 4.827 0.365 1.00 0.00 C ATOM 114 CD GLN A 13 11.272 5.857 0.218 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.072 7.062 0.365 1.00 0.00 O ATOM 116 NE2 GLN A 13 12.472 5.433 -0.105 1.00 0.00 N ATOM 0 H GLN A 13 7.436 4.505 -2.645 1.00 0.00 H new ATOM 0 HA GLN A 13 8.468 2.818 -0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.929 4.355 -1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.947 5.704 -1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.514 5.104 1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.584 3.854 0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.644 4.435 -0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.232 6.101 -0.233 1.00 0.00 H new ATOM 123 N VAL A 14 7.248 3.966 1.538 1.00 0.00 N ATOM 124 CA VAL A 14 6.358 4.332 2.652 1.00 0.00 C ATOM 125 C VAL A 14 7.191 4.777 3.857 1.00 0.00 C ATOM 126 O VAL A 14 8.108 4.079 4.294 1.00 0.00 O ATOM 127 CB VAL A 14 5.343 3.210 3.016 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.848 1.787 2.703 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.819 3.273 4.462 1.00 0.00 C ATOM 0 H VAL A 14 8.088 3.479 1.851 1.00 0.00 H new ATOM 0 HA VAL A 14 5.744 5.171 2.325 1.00 0.00 H new ATOM 0 HB VAL A 14 4.502 3.422 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.086 1.060 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.056 1.701 1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.760 1.592 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.118 2.456 4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.655 3.183 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.313 4.225 4.624 1.00 0.00 H new ATOM 139 N GLY A 15 6.835 5.949 4.393 1.00 0.00 N ATOM 140 CA GLY A 15 7.530 6.611 5.494 1.00 0.00 C ATOM 141 C GLY A 15 7.039 6.106 6.845 1.00 0.00 C ATOM 142 O GLY A 15 5.884 6.314 7.214 1.00 0.00 O ATOM 0 H GLY A 15 6.029 6.477 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.602 6.437 5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.376 7.688 5.428 1.00 0.00 H new ATOM 146 N GLY A 16 7.943 5.473 7.594 1.00 0.00 N ATOM 147 CA GLY A 16 7.761 5.104 8.998 1.00 0.00 C ATOM 148 C GLY A 16 7.166 3.722 9.279 1.00 0.00 C ATOM 149 O GLY A 16 7.276 3.288 10.424 1.00 0.00 O ATOM 0 H GLY A 16 8.853 5.194 7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.730 5.163 9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.119 5.851 9.465 1.00 0.00 H new ATOM 153 N MET A 17 6.578 2.994 8.313 1.00 0.00 N ATOM 154 CA MET A 17 5.908 1.706 8.624 1.00 0.00 C ATOM 155 C MET A 17 6.855 0.530 8.953 1.00 0.00 C ATOM 156 O MET A 17 6.379 -0.578 9.199 1.00 0.00 O ATOM 157 CB MET A 17 4.883 1.350 7.526 1.00 0.00 C ATOM 158 CG MET A 17 5.369 0.366 6.447 1.00 0.00 C ATOM 159 SD MET A 17 7.030 0.626 5.766 1.00 0.00 S ATOM 160 CE MET A 17 7.170 -0.932 4.857 1.00 0.00 C ATOM 0 H MET A 17 6.549 3.262 7.329 1.00 0.00 H new ATOM 0 HA MET A 17 5.378 1.871 9.562 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.999 0.927 8.004 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.570 2.272 7.035 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.331 -0.639 6.866 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.658 0.394 5.621 1.00 0.00 H new ATOM 0 HE1 MET A 17 8.202 -1.074 4.535 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.875 -1.758 5.504 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.518 -0.904 3.984 1.00 0.00 H new ATOM 219 N CYS A 22 3.806 -3.661 12.024 1.00 0.00 N ATOM 220 CA CYS A 22 3.192 -2.530 11.316 1.00 0.00 C ATOM 221 C CYS A 22 2.911 -2.830 9.837 1.00 0.00 C ATOM 222 O CYS A 22 1.867 -2.426 9.323 1.00 0.00 O ATOM 223 CB CYS A 22 4.085 -1.296 11.505 1.00 0.00 C ATOM 224 SG CYS A 22 4.162 -0.877 13.271 1.00 0.00 S ATOM 0 HA CYS A 22 2.210 -2.336 11.747 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.086 -1.495 11.123 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.688 -0.455 10.937 1.00 0.00 H new ATOM 0 HG CYS A 22 4.919 0.167 13.437 1.00 0.00 H new ATOM 229 N ALA A 23 3.749 -3.643 9.185 1.00 0.00 N ATOM 230 CA ALA A 23 3.401 -4.317 7.935 1.00 0.00 C ATOM 231 C ALA A 23 2.057 -5.069 8.048 1.00 0.00 C ATOM 232 O ALA A 23 1.233 -5.017 7.135 1.00 0.00 O ATOM 233 CB ALA A 23 4.539 -5.279 7.597 1.00 0.00 C ATOM 0 H ALA A 23 4.692 -3.851 9.513 1.00 0.00 H new ATOM 0 HA ALA A 23 3.275 -3.581 7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.311 -5.800 6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.467 -4.719 7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.652 -6.006 8.402 1.00 0.00 H new ATOM 239 N SER A 24 1.785 -5.702 9.194 1.00 0.00 N ATOM 240 CA SER A 24 0.513 -6.398 9.417 1.00 0.00 C ATOM 241 C SER A 24 -0.660 -5.430 9.603 1.00 0.00 C ATOM 242 O SER A 24 -1.765 -5.769 9.202 1.00 0.00 O ATOM 243 CB SER A 24 0.587 -7.395 10.583 1.00 0.00 C ATOM 244 OG SER A 24 1.575 -8.386 10.345 1.00 0.00 O ATOM 0 H SER A 24 2.430 -5.747 9.983 1.00 0.00 H new ATOM 0 HA SER A 24 0.326 -6.969 8.507 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.816 -6.863 11.507 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.384 -7.871 10.721 1.00 0.00 H new ATOM 0 HG SER A 24 1.604 -9.008 11.102 1.00 0.00 H new ATOM 249 N SER A 25 -0.452 -4.204 10.093 1.00 0.00 N ATOM 250 CA SER A 25 -1.507 -3.180 10.099 1.00 0.00 C ATOM 251 C SER A 25 -1.948 -2.815 8.676 1.00 0.00 C ATOM 252 O SER A 25 -3.135 -2.602 8.439 1.00 0.00 O ATOM 253 CB SER A 25 -1.094 -1.893 10.838 1.00 0.00 C ATOM 254 OG SER A 25 -0.587 -2.116 12.142 1.00 0.00 O ATOM 0 H SER A 25 0.435 -3.895 10.491 1.00 0.00 H new ATOM 0 HA SER A 25 -2.340 -3.630 10.639 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.338 -1.374 10.249 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.957 -1.230 10.903 1.00 0.00 H new ATOM 0 HG SER A 25 -0.344 -1.259 12.550 1.00 0.00 H new ATOM 259 N ILE A 26 -1.029 -2.788 7.701 1.00 0.00 N ATOM 260 CA ILE A 26 -1.391 -2.671 6.278 1.00 0.00 C ATOM 261 C ILE A 26 -2.170 -3.924 5.843 1.00 0.00 C ATOM 262 O ILE A 26 -3.315 -3.813 5.394 1.00 0.00 O ATOM 263 CB ILE A 26 -0.142 -2.374 5.396 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.306 -0.891 5.462 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.409 -2.695 3.912 1.00 0.00 C ATOM 266 CD1 ILE A 26 1.116 -0.504 6.703 1.00 0.00 C ATOM 0 H ILE A 26 -0.025 -2.846 7.871 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.050 -1.815 6.136 1.00 0.00 H new ATOM 0 HB ILE A 26 0.643 -3.012 5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.902 -0.669 4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.581 -0.259 5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.484 -2.476 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.662 -3.750 3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.238 -2.086 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.379 0.552 6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.520 -0.686 7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.026 -1.103 6.745 1.00 0.00 H new ATOM 277 N GLU A 27 -1.567 -5.108 5.984 1.00 0.00 N ATOM 278 CA GLU A 27 -2.081 -6.347 5.385 1.00 0.00 C ATOM 279 C GLU A 27 -3.415 -6.827 5.984 1.00 0.00 C ATOM 280 O GLU A 27 -4.198 -7.472 5.275 1.00 0.00 O ATOM 281 CB GLU A 27 -1.054 -7.478 5.523 1.00 0.00 C ATOM 282 CG GLU A 27 0.198 -7.254 4.672 1.00 0.00 C ATOM 283 CD GLU A 27 1.097 -8.481 4.732 1.00 0.00 C ATOM 284 OE1 GLU A 27 1.732 -8.740 5.780 1.00 0.00 O ATOM 285 OE2 GLU A 27 1.179 -9.218 3.724 1.00 0.00 O ATOM 0 H GLU A 27 -0.707 -5.236 6.517 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.261 -6.104 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.764 -7.572 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.519 -8.421 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.086 -7.052 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.740 -6.379 5.031 1.00 0.00 H new ATOM 290 N ARG A 28 -3.689 -6.512 7.260 1.00 0.00 N ATOM 291 CA ARG A 28 -4.892 -6.946 7.987 1.00 0.00 C ATOM 292 C ARG A 28 -6.192 -6.513 7.301 1.00 0.00 C ATOM 293 O ARG A 28 -7.171 -7.257 7.351 1.00 0.00 O ATOM 294 CB ARG A 28 -4.811 -6.444 9.440 1.00 0.00 C ATOM 295 CG ARG A 28 -6.021 -6.840 10.307 1.00 0.00 C ATOM 296 CD ARG A 28 -5.807 -6.526 11.795 1.00 0.00 C ATOM 297 NE ARG A 28 -4.730 -7.347 12.373 1.00 0.00 N ATOM 298 CZ ARG A 28 -3.537 -6.950 12.798 1.00 0.00 C ATOM 299 NH1 ARG A 28 -3.146 -5.692 12.792 1.00 0.00 N ATOM 300 NH2 ARG A 28 -2.694 -7.846 13.250 1.00 0.00 N ATOM 0 H ARG A 28 -3.067 -5.936 7.827 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.919 -8.036 7.985 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.904 -6.836 9.899 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.721 -5.358 9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.906 -6.313 9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.215 -7.906 10.188 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.564 -5.470 11.913 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.733 -6.703 12.342 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.925 -8.345 12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.773 -4.965 12.448 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.216 -5.445 13.131 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.959 -8.831 13.271 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.773 -7.559 13.581 1.00 0.00 H new ATOM 311 N ALA A 29 -6.204 -5.362 6.617 1.00 0.00 N ATOM 312 CA ALA A 29 -7.324 -4.965 5.758 1.00 0.00 C ATOM 313 C ALA A 29 -7.007 -5.053 4.259 1.00 0.00 C ATOM 314 O ALA A 29 -7.923 -5.331 3.495 1.00 0.00 O ATOM 315 CB ALA A 29 -7.795 -3.559 6.134 1.00 0.00 C ATOM 0 H ALA A 29 -5.442 -4.684 6.644 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.127 -5.681 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.627 -3.270 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.119 -3.550 7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.974 -2.853 6.004 1.00 0.00 H new ATOM 321 N LEU A 30 -5.758 -4.862 3.802 1.00 0.00 N ATOM 322 CA LEU A 30 -5.428 -4.832 2.362 1.00 0.00 C ATOM 323 C LEU A 30 -5.907 -6.076 1.586 1.00 0.00 C ATOM 324 O LEU A 30 -6.391 -5.943 0.462 1.00 0.00 O ATOM 325 CB LEU A 30 -3.912 -4.596 2.212 1.00 0.00 C ATOM 326 CG LEU A 30 -3.372 -4.471 0.770 1.00 0.00 C ATOM 327 CD1 LEU A 30 -4.073 -3.372 -0.041 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.871 -4.159 0.821 1.00 0.00 C ATOM 0 H LEU A 30 -4.953 -4.725 4.413 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.977 -4.009 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.654 -3.686 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.389 -5.417 2.702 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.567 -5.421 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.649 -3.334 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.139 -3.591 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.929 -2.410 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.483 -4.069 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.712 -3.222 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.349 -4.964 1.339 1.00 0.00 H new ATOM 339 N GLU A 31 -5.865 -7.266 2.190 1.00 0.00 N ATOM 340 CA GLU A 31 -6.316 -8.517 1.554 1.00 0.00 C ATOM 341 C GLU A 31 -7.841 -8.731 1.663 1.00 0.00 C ATOM 342 O GLU A 31 -8.382 -9.677 1.081 1.00 0.00 O ATOM 343 CB GLU A 31 -5.519 -9.709 2.108 1.00 0.00 C ATOM 344 CG GLU A 31 -4.006 -9.462 1.985 1.00 0.00 C ATOM 345 CD GLU A 31 -3.192 -10.737 2.194 1.00 0.00 C ATOM 346 OE1 GLU A 31 -2.900 -11.093 3.361 1.00 0.00 O ATOM 347 OE2 GLU A 31 -2.873 -11.416 1.188 1.00 0.00 O ATOM 0 H GLU A 31 -5.516 -7.395 3.140 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.114 -8.436 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.781 -9.873 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.789 -10.615 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.786 -9.051 1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.701 -8.715 2.718 1.00 0.00 H new ATOM 352 N ARG A 32 -8.536 -7.820 2.360 1.00 0.00 N ATOM 353 CA ARG A 32 -9.996 -7.678 2.442 1.00 0.00 C ATOM 354 C ARG A 32 -10.534 -6.446 1.681 1.00 0.00 C ATOM 355 O ARG A 32 -11.752 -6.331 1.507 1.00 0.00 O ATOM 356 CB ARG A 32 -10.417 -7.581 3.922 1.00 0.00 C ATOM 357 CG ARG A 32 -10.185 -8.857 4.752 1.00 0.00 C ATOM 358 CD ARG A 32 -11.332 -9.873 4.648 1.00 0.00 C ATOM 359 NE ARG A 32 -11.334 -10.598 3.364 1.00 0.00 N ATOM 360 CZ ARG A 32 -12.335 -10.683 2.492 1.00 0.00 C ATOM 361 NH1 ARG A 32 -13.479 -10.052 2.625 1.00 0.00 N ATOM 362 NH2 ARG A 32 -12.217 -11.422 1.415 1.00 0.00 N ATOM 0 H ARG A 32 -8.059 -7.114 2.920 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.426 -8.560 1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.870 -6.760 4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.476 -7.325 3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.260 -9.331 4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.049 -8.581 5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.252 -10.590 5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.283 -9.355 4.770 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.474 -11.088 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.640 -9.453 3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.207 -10.161 1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.353 -11.936 1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.989 -11.482 0.751 1.00 0.00 H new ATOM 373 N LEU A 33 -9.675 -5.529 1.209 1.00 0.00 N ATOM 374 CA LEU A 33 -10.089 -4.355 0.418 1.00 0.00 C ATOM 375 C LEU A 33 -10.595 -4.772 -0.973 1.00 0.00 C ATOM 376 O LEU A 33 -10.004 -5.627 -1.636 1.00 0.00 O ATOM 377 CB LEU A 33 -8.934 -3.339 0.284 1.00 0.00 C ATOM 378 CG LEU A 33 -8.524 -2.542 1.539 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.359 -1.601 1.197 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.658 -1.706 2.137 1.00 0.00 C ATOM 0 H LEU A 33 -8.668 -5.580 1.365 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.909 -3.875 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.055 -3.877 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.206 -2.624 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.237 -3.283 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.072 -1.039 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.509 -2.187 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.669 -0.908 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.294 -1.174 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.009 -0.986 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.480 -2.361 2.424 1.00 0.00 H new ATOM 391 N LYS A 34 -11.674 -4.133 -1.426 1.00 0.00 N ATOM 392 CA LYS A 34 -12.289 -4.331 -2.747 1.00 0.00 C ATOM 393 C LYS A 34 -11.446 -3.716 -3.887 1.00 0.00 C ATOM 394 O LYS A 34 -10.659 -2.786 -3.668 1.00 0.00 O ATOM 395 CB LYS A 34 -13.706 -3.729 -2.717 1.00 0.00 C ATOM 396 CG LYS A 34 -14.639 -4.445 -1.724 1.00 0.00 C ATOM 397 CD LYS A 34 -16.048 -3.831 -1.702 1.00 0.00 C ATOM 398 CE LYS A 34 -16.112 -2.379 -1.198 1.00 0.00 C ATOM 399 NZ LYS A 34 -15.642 -2.227 0.202 1.00 0.00 N ATOM 0 H LYS A 34 -12.165 -3.437 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.339 -5.400 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.642 -2.674 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.139 -3.780 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.709 -5.500 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.208 -4.396 -0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.461 -3.869 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.688 -4.448 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.507 -1.748 -1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.139 -2.020 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.709 -1.228 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.234 -2.805 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.653 -2.541 0.272 1.00 0.00 H new ATOM 409 N GLY A 35 -11.583 -4.225 -5.119 1.00 0.00 N ATOM 410 CA GLY A 35 -10.894 -3.737 -6.329 1.00 0.00 C ATOM 411 C GLY A 35 -9.420 -4.146 -6.401 1.00 0.00 C ATOM 412 O GLY A 35 -9.004 -4.781 -7.368 1.00 0.00 O ATOM 0 H GLY A 35 -12.198 -5.016 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.411 -4.117 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.963 -2.650 -6.363 1.00 0.00 H new ATOM 416 N VAL A 36 -8.650 -3.809 -5.366 1.00 0.00 N ATOM 417 CA VAL A 36 -7.256 -4.244 -5.156 1.00 0.00 C ATOM 418 C VAL A 36 -7.180 -5.768 -4.956 1.00 0.00 C ATOM 419 O VAL A 36 -8.086 -6.359 -4.365 1.00 0.00 O ATOM 420 CB VAL A 36 -6.606 -3.449 -4.000 1.00 0.00 C ATOM 421 CG1 VAL A 36 -7.266 -3.699 -2.640 1.00 0.00 C ATOM 422 CG2 VAL A 36 -5.099 -3.697 -3.866 1.00 0.00 C ATOM 0 H VAL A 36 -8.987 -3.202 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.677 -4.023 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.769 -2.409 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.759 -3.109 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.316 -3.408 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.193 -4.757 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.706 -3.109 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.920 -4.756 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.598 -3.403 -4.788 1.00 0.00 H new ATOM 432 N ALA A 37 -6.133 -6.406 -5.494 1.00 0.00 N ATOM 433 CA ALA A 37 -6.073 -7.856 -5.711 1.00 0.00 C ATOM 434 C ALA A 37 -4.946 -8.587 -4.957 1.00 0.00 C ATOM 435 O ALA A 37 -5.239 -9.571 -4.275 1.00 0.00 O ATOM 436 CB ALA A 37 -5.963 -8.090 -7.224 1.00 0.00 C ATOM 0 H ALA A 37 -5.289 -5.920 -5.796 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.983 -8.287 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.916 -9.160 -7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.835 -7.666 -7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.060 -7.610 -7.602 1.00 0.00 H new ATOM 442 N GLU A 38 -3.683 -8.150 -5.057 1.00 0.00 N ATOM 443 CA GLU A 38 -2.525 -8.887 -4.519 1.00 0.00 C ATOM 444 C GLU A 38 -1.331 -7.977 -4.226 1.00 0.00 C ATOM 445 O GLU A 38 -1.067 -7.048 -4.987 1.00 0.00 O ATOM 446 CB GLU A 38 -2.123 -10.089 -5.408 1.00 0.00 C ATOM 447 CG GLU A 38 -1.761 -9.728 -6.860 1.00 0.00 C ATOM 448 CD GLU A 38 -1.254 -10.908 -7.692 1.00 0.00 C ATOM 449 OE1 GLU A 38 -1.622 -12.074 -7.417 1.00 0.00 O ATOM 450 OE2 GLU A 38 -0.473 -10.668 -8.649 1.00 0.00 O ATOM 0 H GLU A 38 -3.432 -7.273 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.851 -9.295 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.271 -10.592 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.946 -10.804 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.640 -9.305 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.997 -8.950 -6.850 1.00 0.00 H new ATOM 455 N ALA A 39 -0.601 -8.223 -3.134 1.00 0.00 N ATOM 456 CA ALA A 39 0.389 -7.276 -2.612 1.00 0.00 C ATOM 457 C ALA A 39 1.543 -7.941 -1.834 1.00 0.00 C ATOM 458 O ALA A 39 1.584 -9.165 -1.672 1.00 0.00 O ATOM 459 CB ALA A 39 -0.389 -6.269 -1.748 1.00 0.00 C ATOM 0 H ALA A 39 -0.679 -9.081 -2.588 1.00 0.00 H new ATOM 0 HA ALA A 39 0.895 -6.782 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.302 -5.536 -1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.131 -5.759 -2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.890 -6.797 -0.937 1.00 0.00 H new ATOM 465 N SER A 40 2.484 -7.131 -1.346 1.00 0.00 N ATOM 466 CA SER A 40 3.542 -7.512 -0.396 1.00 0.00 C ATOM 467 C SER A 40 4.250 -6.271 0.183 1.00 0.00 C ATOM 468 O SER A 40 4.550 -5.329 -0.556 1.00 0.00 O ATOM 469 CB SER A 40 4.580 -8.428 -1.060 1.00 0.00 C ATOM 470 OG SER A 40 5.489 -8.935 -0.095 1.00 0.00 O ATOM 0 H SER A 40 2.536 -6.147 -1.611 1.00 0.00 H new ATOM 0 HA SER A 40 3.059 -8.053 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.076 -9.254 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.125 -7.875 -1.825 1.00 0.00 H new ATOM 0 HG SER A 40 6.142 -9.518 -0.535 1.00 0.00 H new ATOM 475 N VAL A 41 4.557 -6.271 1.482 1.00 0.00 N ATOM 476 CA VAL A 41 5.269 -5.199 2.207 1.00 0.00 C ATOM 477 C VAL A 41 6.746 -5.589 2.390 1.00 0.00 C ATOM 478 O VAL A 41 7.041 -6.757 2.661 1.00 0.00 O ATOM 479 CB VAL A 41 4.619 -4.907 3.590 1.00 0.00 C ATOM 480 CG1 VAL A 41 5.211 -3.638 4.221 1.00 0.00 C ATOM 481 CG2 VAL A 41 3.092 -4.718 3.497 1.00 0.00 C ATOM 0 H VAL A 41 4.308 -7.050 2.091 1.00 0.00 H new ATOM 0 HA VAL A 41 5.200 -4.288 1.612 1.00 0.00 H new ATOM 0 HB VAL A 41 4.834 -5.779 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.739 -3.458 5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.284 -3.768 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.031 -2.787 3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.689 -4.517 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.869 -3.879 2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.637 -5.624 3.098 1.00 0.00 H new ATOM 491 N THR A 42 7.659 -4.613 2.267 1.00 0.00 N ATOM 492 CA THR A 42 9.101 -4.752 2.532 1.00 0.00 C ATOM 493 C THR A 42 9.516 -3.747 3.602 1.00 0.00 C ATOM 494 O THR A 42 9.874 -2.608 3.305 1.00 0.00 O ATOM 495 CB THR A 42 9.924 -4.578 1.248 1.00 0.00 C ATOM 496 OG1 THR A 42 9.541 -5.566 0.321 1.00 0.00 O ATOM 497 CG2 THR A 42 11.428 -4.746 1.477 1.00 0.00 C ATOM 0 H THR A 42 7.405 -3.671 1.970 1.00 0.00 H new ATOM 0 HA THR A 42 9.300 -5.759 2.898 1.00 0.00 H new ATOM 0 HB THR A 42 9.733 -3.566 0.890 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.061 -5.461 -0.503 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.957 -4.612 0.533 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.772 -4.002 2.195 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.628 -5.744 1.866 1.00 0.00 H new ATOM 505 N VAL A 43 9.471 -4.185 4.854 1.00 0.00 N ATOM 506 CA VAL A 43 9.878 -3.423 6.045 1.00 0.00 C ATOM 507 C VAL A 43 11.353 -3.007 5.994 1.00 0.00 C ATOM 508 O VAL A 43 11.671 -1.885 6.381 1.00 0.00 O ATOM 509 CB VAL A 43 9.584 -4.258 7.314 1.00 0.00 C ATOM 510 CG1 VAL A 43 10.460 -3.957 8.543 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.109 -4.028 7.664 1.00 0.00 C ATOM 0 H VAL A 43 9.137 -5.120 5.085 1.00 0.00 H new ATOM 0 HA VAL A 43 9.297 -2.501 6.071 1.00 0.00 H new ATOM 0 HB VAL A 43 9.821 -5.294 7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.162 -4.603 9.369 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.506 -4.141 8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.333 -2.914 8.834 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.853 -4.599 8.556 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.941 -2.968 7.851 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.483 -4.354 6.833 1.00 0.00 H new ATOM 521 N ALA A 44 12.245 -3.879 5.501 1.00 0.00 N ATOM 522 CA ALA A 44 13.702 -3.694 5.566 1.00 0.00 C ATOM 523 C ALA A 44 14.213 -2.379 4.943 1.00 0.00 C ATOM 524 O ALA A 44 15.208 -1.817 5.413 1.00 0.00 O ATOM 525 CB ALA A 44 14.346 -4.906 4.883 1.00 0.00 C ATOM 0 H ALA A 44 11.970 -4.746 5.039 1.00 0.00 H new ATOM 0 HA ALA A 44 13.984 -3.619 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.431 -4.805 4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.052 -5.817 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.013 -4.959 3.846 1.00 0.00 H new ATOM 531 N THR A 45 13.520 -1.892 3.903 1.00 0.00 N ATOM 532 CA THR A 45 13.822 -0.649 3.169 1.00 0.00 C ATOM 533 C THR A 45 12.651 0.333 3.121 1.00 0.00 C ATOM 534 O THR A 45 12.803 1.417 2.555 1.00 0.00 O ATOM 535 CB THR A 45 14.320 -0.970 1.754 1.00 0.00 C ATOM 536 OG1 THR A 45 13.425 -1.840 1.099 1.00 0.00 O ATOM 537 CG2 THR A 45 15.689 -1.640 1.794 1.00 0.00 C ATOM 0 H THR A 45 12.699 -2.372 3.533 1.00 0.00 H new ATOM 0 HA THR A 45 14.613 -0.147 3.727 1.00 0.00 H new ATOM 0 HB THR A 45 14.389 -0.025 1.214 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.931 -2.502 0.583 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.018 -1.856 0.778 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.406 -0.974 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.623 -2.569 2.360 1.00 0.00 H new ATOM 545 N GLY A 46 11.502 -0.005 3.717 1.00 0.00 N ATOM 546 CA GLY A 46 10.334 0.879 3.821 1.00 0.00 C ATOM 547 C GLY A 46 9.562 1.003 2.507 1.00 0.00 C ATOM 548 O GLY A 46 9.298 2.118 2.054 1.00 0.00 O ATOM 0 H GLY A 46 11.354 -0.917 4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.666 0.500 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.661 1.869 4.139 1.00 0.00 H new ATOM 552 N ARG A 47 9.232 -0.126 1.868 1.00 0.00 N ATOM 553 CA ARG A 47 8.612 -0.182 0.535 1.00 0.00 C ATOM 554 C ARG A 47 7.403 -1.128 0.498 1.00 0.00 C ATOM 555 O ARG A 47 7.170 -1.910 1.422 1.00 0.00 O ATOM 556 CB ARG A 47 9.655 -0.583 -0.529 1.00 0.00 C ATOM 557 CG ARG A 47 10.875 0.358 -0.581 1.00 0.00 C ATOM 558 CD ARG A 47 11.855 0.020 -1.716 1.00 0.00 C ATOM 559 NE ARG A 47 12.381 -1.353 -1.595 1.00 0.00 N ATOM 560 CZ ARG A 47 12.034 -2.419 -2.311 1.00 0.00 C ATOM 561 NH1 ARG A 47 11.218 -2.346 -3.342 1.00 0.00 N ATOM 562 NH2 ARG A 47 12.503 -3.600 -1.974 1.00 0.00 N ATOM 0 H ARG A 47 9.392 -1.049 2.272 1.00 0.00 H new ATOM 0 HA ARG A 47 8.242 0.817 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.997 -1.598 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.176 -0.598 -1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.529 1.384 -0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.403 0.311 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.352 0.133 -2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.683 0.729 -1.704 1.00 0.00 H new ATOM 0 HE ARG A 47 13.093 -1.502 -0.880 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.826 -1.446 -3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.978 -3.189 -3.863 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.126 -3.691 -1.171 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.244 -4.425 -2.515 1.00 0.00 H new ATOM 573 N LEU A 48 6.627 -1.051 -0.582 1.00 0.00 N ATOM 574 CA LEU A 48 5.369 -1.775 -0.781 1.00 0.00 C ATOM 575 C LEU A 48 5.169 -2.078 -2.272 1.00 0.00 C ATOM 576 O LEU A 48 5.548 -1.267 -3.118 1.00 0.00 O ATOM 577 CB LEU A 48 4.219 -0.897 -0.237 1.00 0.00 C ATOM 578 CG LEU A 48 3.244 -1.611 0.713 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.333 -0.551 1.335 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.356 -2.643 0.002 1.00 0.00 C ATOM 0 H LEU A 48 6.866 -0.458 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 48 5.386 -2.726 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.651 -0.043 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.654 -0.502 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 48 3.837 -2.145 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.629 -1.030 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.937 0.170 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.783 -0.036 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.691 -3.112 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.763 -2.146 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.983 -3.405 -0.461 1.00 0.00 H new ATOM 591 N THR A 49 4.516 -3.201 -2.579 1.00 0.00 N ATOM 592 CA THR A 49 4.115 -3.613 -3.937 1.00 0.00 C ATOM 593 C THR A 49 2.649 -4.014 -3.888 1.00 0.00 C ATOM 594 O THR A 49 2.251 -4.709 -2.956 1.00 0.00 O ATOM 595 CB THR A 49 4.967 -4.781 -4.451 1.00 0.00 C ATOM 596 OG1 THR A 49 6.337 -4.511 -4.249 1.00 0.00 O ATOM 597 CG2 THR A 49 4.761 -5.027 -5.945 1.00 0.00 C ATOM 0 H THR A 49 4.239 -3.877 -1.867 1.00 0.00 H new ATOM 0 HA THR A 49 4.268 -2.782 -4.626 1.00 0.00 H new ATOM 0 HB THR A 49 4.654 -5.664 -3.894 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.871 -5.264 -4.579 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.384 -5.862 -6.265 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.713 -5.262 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.039 -4.133 -6.503 1.00 0.00 H new ATOM 605 N VAL A 50 1.853 -3.583 -4.866 1.00 0.00 N ATOM 606 CA VAL A 50 0.389 -3.761 -4.871 1.00 0.00 C ATOM 607 C VAL A 50 -0.201 -3.795 -6.289 1.00 0.00 C ATOM 608 O VAL A 50 0.175 -2.996 -7.144 1.00 0.00 O ATOM 609 CB VAL A 50 -0.296 -2.687 -3.986 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.050 -1.243 -4.465 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.807 -2.931 -3.868 1.00 0.00 C ATOM 0 H VAL A 50 2.204 -3.094 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 50 0.182 -4.740 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 50 0.170 -2.791 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.559 -0.547 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.020 -1.035 -4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.437 -1.125 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.252 -2.159 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.259 -2.899 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.984 -3.909 -3.420 1.00 0.00 H new ATOM 621 N THR A 51 -1.137 -4.725 -6.519 1.00 0.00 N ATOM 622 CA THR A 51 -1.862 -4.968 -7.776 1.00 0.00 C ATOM 623 C THR A 51 -3.324 -4.584 -7.620 1.00 0.00 C ATOM 624 O THR A 51 -3.975 -5.059 -6.695 1.00 0.00 O ATOM 625 CB THR A 51 -1.756 -6.454 -8.148 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.406 -6.715 -8.462 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.581 -6.843 -9.378 1.00 0.00 C ATOM 0 H THR A 51 -1.428 -5.371 -5.785 1.00 0.00 H new ATOM 0 HA THR A 51 -1.420 -4.361 -8.566 1.00 0.00 H new ATOM 0 HB THR A 51 -2.134 -7.026 -7.300 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.303 -7.659 -8.703 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.456 -7.907 -9.579 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.634 -6.630 -9.192 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.242 -6.269 -10.240 1.00 0.00 H new ATOM 635 N TYR A 52 -3.860 -3.804 -8.562 1.00 0.00 N ATOM 636 CA TYR A 52 -5.260 -3.344 -8.566 1.00 0.00 C ATOM 637 C TYR A 52 -5.855 -3.150 -9.974 1.00 0.00 C ATOM 638 O TYR A 52 -5.125 -2.981 -10.952 1.00 0.00 O ATOM 639 CB TYR A 52 -5.388 -2.053 -7.731 1.00 0.00 C ATOM 640 CG TYR A 52 -4.472 -0.899 -8.115 1.00 0.00 C ATOM 641 CD1 TYR A 52 -4.836 0.004 -9.135 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.263 -0.706 -7.415 1.00 0.00 C ATOM 643 CE1 TYR A 52 -3.998 1.092 -9.457 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.425 0.381 -7.728 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.791 1.287 -8.746 1.00 0.00 C ATOM 646 OH TYR A 52 -1.963 2.324 -9.044 1.00 0.00 O ATOM 0 H TYR A 52 -3.326 -3.465 -9.362 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.849 -4.141 -8.113 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.419 -1.706 -7.797 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.202 -2.303 -6.687 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.762 -0.138 -9.673 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.978 -1.396 -6.634 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.278 1.775 -10.245 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.500 0.522 -7.188 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.182 2.300 -8.452 1.00 0.00 H new ATOM 655 N ASP A 53 -7.192 -3.156 -10.064 1.00 0.00 N ATOM 656 CA ASP A 53 -7.964 -2.787 -11.252 1.00 0.00 C ATOM 657 C ASP A 53 -8.167 -1.255 -11.245 1.00 0.00 C ATOM 658 O ASP A 53 -8.827 -0.746 -10.327 1.00 0.00 O ATOM 659 CB ASP A 53 -9.307 -3.540 -11.228 1.00 0.00 C ATOM 660 CG ASP A 53 -10.246 -3.120 -12.362 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.163 -3.693 -13.475 1.00 0.00 O ATOM 662 OD2 ASP A 53 -11.070 -2.209 -12.121 1.00 0.00 O ATOM 0 H ASP A 53 -7.785 -3.429 -9.280 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.440 -3.062 -12.167 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.118 -4.611 -11.297 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.799 -3.364 -10.272 1.00 0.00 H new ATOM 666 N PRO A 54 -7.628 -0.515 -12.237 1.00 0.00 N ATOM 667 CA PRO A 54 -7.606 0.949 -12.248 1.00 0.00 C ATOM 668 C PRO A 54 -8.983 1.574 -12.537 1.00 0.00 C ATOM 669 O PRO A 54 -9.074 2.783 -12.736 1.00 0.00 O ATOM 670 CB PRO A 54 -6.558 1.325 -13.303 1.00 0.00 C ATOM 671 CG PRO A 54 -6.674 0.189 -14.313 1.00 0.00 C ATOM 672 CD PRO A 54 -6.949 -1.021 -13.423 1.00 0.00 C ATOM 0 HA PRO A 54 -7.350 1.344 -11.265 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.770 2.293 -13.757 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.557 1.386 -12.875 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.481 0.360 -15.025 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.759 0.067 -14.892 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.568 -1.752 -13.943 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.020 -1.524 -13.154 1.00 0.00 H new ATOM 677 N LYS A 55 -10.054 0.769 -12.574 1.00 0.00 N ATOM 678 CA LYS A 55 -11.415 1.218 -12.897 1.00 0.00 C ATOM 679 C LYS A 55 -12.345 1.083 -11.683 1.00 0.00 C ATOM 680 O LYS A 55 -13.175 1.963 -11.456 1.00 0.00 O ATOM 681 CB LYS A 55 -11.969 0.430 -14.100 1.00 0.00 C ATOM 682 CG LYS A 55 -11.104 0.437 -15.370 1.00 0.00 C ATOM 683 CD LYS A 55 -10.850 1.834 -15.948 1.00 0.00 C ATOM 684 CE LYS A 55 -10.182 1.690 -17.319 1.00 0.00 C ATOM 685 NZ LYS A 55 -10.006 2.992 -17.998 1.00 0.00 N ATOM 0 H LYS A 55 -9.997 -0.230 -12.377 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.370 2.273 -13.165 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.118 -0.605 -13.793 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.950 0.833 -14.351 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.146 -0.031 -15.146 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.589 -0.176 -16.130 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.789 2.380 -16.042 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.213 2.409 -15.277 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.210 1.211 -17.198 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.785 1.034 -17.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.550 2.843 -18.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.935 3.439 -18.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.409 3.611 -17.413 1.00 0.00 H new ATOM 695 N GLN A 56 -12.166 0.037 -10.868 1.00 0.00 N ATOM 696 CA GLN A 56 -12.760 -0.064 -9.534 1.00 0.00 C ATOM 697 C GLN A 56 -12.098 0.891 -8.541 1.00 0.00 C ATOM 698 O GLN A 56 -12.814 1.462 -7.717 1.00 0.00 O ATOM 699 CB GLN A 56 -12.639 -1.501 -8.975 1.00 0.00 C ATOM 700 CG GLN A 56 -13.802 -2.433 -9.340 1.00 0.00 C ATOM 701 CD GLN A 56 -15.162 -1.812 -9.034 1.00 0.00 C ATOM 702 OE1 GLN A 56 -15.942 -1.499 -9.926 1.00 0.00 O ATOM 703 NE2 GLN A 56 -15.466 -1.519 -7.791 1.00 0.00 N ATOM 0 H GLN A 56 -11.598 -0.771 -11.121 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.810 0.205 -9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.711 -1.941 -9.340 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.561 -1.448 -7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.748 -2.679 -10.401 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.701 -3.369 -8.790 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.828 -1.772 -7.037 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.340 -1.038 -7.580 1.00 0.00 H new ATOM 710 N VAL A 57 -10.769 1.057 -8.593 1.00 0.00 N ATOM 711 CA VAL A 57 -9.995 1.809 -7.584 1.00 0.00 C ATOM 712 C VAL A 57 -8.701 2.379 -8.179 1.00 0.00 C ATOM 713 O VAL A 57 -8.369 2.118 -9.330 1.00 0.00 O ATOM 714 CB VAL A 57 -9.643 0.949 -6.335 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.867 0.442 -5.557 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.750 -0.262 -6.672 1.00 0.00 C ATOM 0 H VAL A 57 -10.192 0.672 -9.341 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.642 2.627 -7.266 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.095 1.644 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.536 -0.148 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.453 1.292 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.482 -0.178 -6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.539 -0.823 -5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.265 -0.907 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.814 0.086 -7.109 1.00 0.00 H new ATOM 726 N SER A 58 -7.932 3.105 -7.372 1.00 0.00 N ATOM 727 CA SER A 58 -6.551 3.500 -7.652 1.00 0.00 C ATOM 728 C SER A 58 -5.712 3.375 -6.362 1.00 0.00 C ATOM 729 O SER A 58 -6.214 2.937 -5.324 1.00 0.00 O ATOM 730 CB SER A 58 -6.559 4.930 -8.225 1.00 0.00 C ATOM 731 OG SER A 58 -5.286 5.325 -8.712 1.00 0.00 O ATOM 0 H SER A 58 -8.264 3.448 -6.471 1.00 0.00 H new ATOM 0 HA SER A 58 -6.092 2.846 -8.394 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.289 4.991 -9.032 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.881 5.627 -7.451 1.00 0.00 H new ATOM 0 HG SER A 58 -4.937 6.055 -8.160 1.00 0.00 H new ATOM 736 N GLU A 59 -4.446 3.798 -6.387 1.00 0.00 N ATOM 737 CA GLU A 59 -3.581 3.919 -5.201 1.00 0.00 C ATOM 738 C GLU A 59 -4.218 4.712 -4.036 1.00 0.00 C ATOM 739 O GLU A 59 -3.922 4.438 -2.877 1.00 0.00 O ATOM 740 CB GLU A 59 -2.196 4.474 -5.585 1.00 0.00 C ATOM 741 CG GLU A 59 -2.157 5.516 -6.712 1.00 0.00 C ATOM 742 CD GLU A 59 -3.009 6.749 -6.440 1.00 0.00 C ATOM 743 OE1 GLU A 59 -2.470 7.721 -5.864 1.00 0.00 O ATOM 744 OE2 GLU A 59 -4.194 6.758 -6.857 1.00 0.00 O ATOM 0 H GLU A 59 -3.979 4.074 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.453 2.907 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.749 4.918 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.562 3.636 -5.875 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.124 5.827 -6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.495 5.049 -7.637 1.00 0.00 H new ATOM 749 N ILE A 60 -5.170 5.608 -4.307 1.00 0.00 N ATOM 750 CA ILE A 60 -6.089 6.221 -3.325 1.00 0.00 C ATOM 751 C ILE A 60 -6.654 5.215 -2.297 1.00 0.00 C ATOM 752 O ILE A 60 -6.745 5.538 -1.109 1.00 0.00 O ATOM 753 CB ILE A 60 -7.195 6.967 -4.113 1.00 0.00 C ATOM 754 CG1 ILE A 60 -6.635 8.332 -4.576 1.00 0.00 C ATOM 755 CG2 ILE A 60 -8.496 7.135 -3.308 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.497 9.033 -5.630 1.00 0.00 C ATOM 0 H ILE A 60 -5.334 5.945 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.534 6.929 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.468 6.363 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.536 8.985 -3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.633 8.184 -4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.232 7.664 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.886 6.154 -3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.292 7.706 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.037 9.983 -5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.576 8.401 -6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.492 9.215 -5.224 1.00 0.00 H new ATOM 767 N THR A 61 -6.997 3.992 -2.723 1.00 0.00 N ATOM 768 CA THR A 61 -7.570 2.937 -1.865 1.00 0.00 C ATOM 769 C THR A 61 -6.583 2.390 -0.835 1.00 0.00 C ATOM 770 O THR A 61 -6.989 2.060 0.279 1.00 0.00 O ATOM 771 CB THR A 61 -8.147 1.843 -2.766 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.355 2.359 -3.268 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.472 0.523 -2.063 1.00 0.00 C ATOM 0 H THR A 61 -6.883 3.699 -3.693 1.00 0.00 H new ATOM 0 HA THR A 61 -8.368 3.372 -1.263 1.00 0.00 H new ATOM 0 HB THR A 61 -7.393 1.605 -3.516 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.032 1.651 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.875 -0.185 -2.787 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.564 0.113 -1.621 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.209 0.700 -1.280 1.00 0.00 H new ATOM 781 N ILE A 62 -5.290 2.314 -1.163 1.00 0.00 N ATOM 782 CA ILE A 62 -4.235 1.929 -0.202 1.00 0.00 C ATOM 783 C ILE A 62 -3.687 3.158 0.550 1.00 0.00 C ATOM 784 O ILE A 62 -3.353 3.052 1.730 1.00 0.00 O ATOM 785 CB ILE A 62 -3.166 1.050 -0.906 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.251 0.351 0.124 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.379 1.817 -1.981 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.126 -0.498 -0.488 1.00 0.00 C ATOM 0 H ILE A 62 -4.938 2.516 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.656 1.302 0.584 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.698 0.266 -1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.806 1.110 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.864 -0.287 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.646 1.153 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.066 2.181 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.866 2.662 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.536 -0.949 0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.559 -1.283 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.484 0.135 -1.100 1.00 0.00 H new ATOM 799 N GLN A 63 -3.698 4.339 -0.074 1.00 0.00 N ATOM 800 CA GLN A 63 -3.383 5.629 0.544 1.00 0.00 C ATOM 801 C GLN A 63 -4.275 5.904 1.757 1.00 0.00 C ATOM 802 O GLN A 63 -3.740 6.169 2.834 1.00 0.00 O ATOM 803 CB GLN A 63 -3.527 6.730 -0.518 1.00 0.00 C ATOM 804 CG GLN A 63 -3.161 8.142 -0.042 1.00 0.00 C ATOM 805 CD GLN A 63 -3.308 9.134 -1.192 1.00 0.00 C ATOM 806 OE1 GLN A 63 -2.372 9.403 -1.938 1.00 0.00 O ATOM 807 NE2 GLN A 63 -4.484 9.674 -1.421 1.00 0.00 N ATOM 0 H GLN A 63 -3.936 4.426 -1.062 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.357 5.611 0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.898 6.476 -1.371 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.557 6.738 -0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.806 8.434 0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.137 8.155 0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.271 9.460 -0.809 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.609 10.307 -2.211 1.00 0.00 H new ATOM 814 N GLU A 64 -5.604 5.768 1.625 1.00 0.00 N ATOM 815 CA GLU A 64 -6.533 5.967 2.747 1.00 0.00 C ATOM 816 C GLU A 64 -6.383 4.930 3.880 1.00 0.00 C ATOM 817 O GLU A 64 -7.040 5.075 4.917 1.00 0.00 O ATOM 818 CB GLU A 64 -7.995 6.069 2.267 1.00 0.00 C ATOM 819 CG GLU A 64 -8.630 4.745 1.810 1.00 0.00 C ATOM 820 CD GLU A 64 -10.112 4.680 2.183 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.950 5.173 1.394 1.00 0.00 O ATOM 822 OE2 GLU A 64 -10.440 4.156 3.276 1.00 0.00 O ATOM 0 H GLU A 64 -6.060 5.520 0.747 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.250 6.924 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.598 6.482 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.040 6.779 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.520 4.640 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.101 3.909 2.267 1.00 0.00 H new ATOM 827 N ARG A 65 -5.538 3.899 3.703 1.00 0.00 N ATOM 828 CA ARG A 65 -5.058 3.036 4.786 1.00 0.00 C ATOM 829 C ARG A 65 -3.702 3.505 5.320 1.00 0.00 C ATOM 830 O ARG A 65 -3.566 3.711 6.522 1.00 0.00 O ATOM 831 CB ARG A 65 -4.999 1.561 4.346 1.00 0.00 C ATOM 832 CG ARG A 65 -4.655 0.690 5.567 1.00 0.00 C ATOM 833 CD ARG A 65 -5.135 -0.762 5.477 1.00 0.00 C ATOM 834 NE ARG A 65 -5.116 -1.380 6.815 1.00 0.00 N ATOM 835 CZ ARG A 65 -5.975 -1.149 7.804 1.00 0.00 C ATOM 836 NH1 ARG A 65 -7.068 -0.433 7.645 1.00 0.00 N ATOM 837 NH2 ARG A 65 -5.709 -1.651 8.987 1.00 0.00 N ATOM 0 H ARG A 65 -5.167 3.642 2.789 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.778 3.111 5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.956 1.255 3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.249 1.430 3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.574 0.692 5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.090 1.147 6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.144 -0.796 5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.494 -1.325 4.798 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.371 -2.051 7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.285 -0.029 6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.698 -0.282 8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.862 -2.202 9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.349 -1.491 9.765 1.00 0.00 H new ATOM 848 N ILE A 66 -2.690 3.687 4.464 1.00 0.00 N ATOM 849 CA ILE A 66 -1.321 4.052 4.894 1.00 0.00 C ATOM 850 C ILE A 66 -1.320 5.378 5.670 1.00 0.00 C ATOM 851 O ILE A 66 -0.723 5.455 6.743 1.00 0.00 O ATOM 852 CB ILE A 66 -0.356 4.080 3.681 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.251 2.699 2.988 1.00 0.00 C ATOM 854 CG2 ILE A 66 1.059 4.503 4.125 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.137 2.820 1.509 1.00 0.00 C ATOM 0 H ILE A 66 -2.789 3.587 3.454 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.957 3.286 5.579 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.768 4.801 2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.489 2.089 3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.206 2.180 3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.723 4.517 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.019 5.498 4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.437 3.793 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.198 1.826 1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.616 3.406 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.105 3.314 1.426 1.00 0.00 H new ATOM 866 N ALA A 67 -2.052 6.386 5.187 1.00 0.00 N ATOM 867 CA ALA A 67 -2.202 7.666 5.876 1.00 0.00 C ATOM 868 C ALA A 67 -2.952 7.522 7.220 1.00 0.00 C ATOM 869 O ALA A 67 -2.576 8.158 8.208 1.00 0.00 O ATOM 870 CB ALA A 67 -2.937 8.628 4.935 1.00 0.00 C ATOM 0 H ALA A 67 -2.558 6.334 4.303 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.215 8.057 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.062 9.593 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.356 8.758 4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.916 8.218 4.687 1.00 0.00 H new ATOM 876 N ALA A 68 -3.986 6.673 7.271 1.00 0.00 N ATOM 877 CA ALA A 68 -4.830 6.427 8.450 1.00 0.00 C ATOM 878 C ALA A 68 -4.124 5.629 9.559 1.00 0.00 C ATOM 879 O ALA A 68 -4.446 5.792 10.737 1.00 0.00 O ATOM 880 CB ALA A 68 -6.090 5.694 7.980 1.00 0.00 C ATOM 0 H ALA A 68 -4.269 6.118 6.464 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.074 7.390 8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.737 5.497 8.835 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.622 6.312 7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.809 4.750 7.513 1.00 0.00 H new ATOM 886 N LEU A 69 -3.137 4.806 9.199 1.00 0.00 N ATOM 887 CA LEU A 69 -2.211 4.132 10.117 1.00 0.00 C ATOM 888 C LEU A 69 -1.109 5.074 10.647 1.00 0.00 C ATOM 889 O LEU A 69 -0.251 4.636 11.414 1.00 0.00 O ATOM 890 CB LEU A 69 -1.636 2.903 9.392 1.00 0.00 C ATOM 891 CG LEU A 69 -2.683 1.803 9.113 1.00 0.00 C ATOM 892 CD1 LEU A 69 -2.033 0.719 8.251 1.00 0.00 C ATOM 893 CD2 LEU A 69 -3.243 1.188 10.407 1.00 0.00 C ATOM 0 H LEU A 69 -2.952 4.581 8.222 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.751 3.812 11.008 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.196 3.222 8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.830 2.482 9.993 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.526 2.255 8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.760 -0.066 8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.694 1.156 7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.181 0.294 8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.975 0.420 10.158 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.430 0.742 10.979 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.722 1.966 11.002 1.00 0.00 H new ATOM 904 N GLY A 70 -1.130 6.356 10.258 1.00 0.00 N ATOM 905 CA GLY A 70 -0.225 7.405 10.743 1.00 0.00 C ATOM 906 C GLY A 70 1.075 7.528 9.950 1.00 0.00 C ATOM 907 O GLY A 70 1.934 8.337 10.299 1.00 0.00 O ATOM 0 H GLY A 70 -1.801 6.703 9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.747 8.361 10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.017 7.206 11.787 1.00 0.00 H new ATOM 911 N TYR A 71 1.232 6.743 8.887 1.00 0.00 N ATOM 912 CA TYR A 71 2.389 6.768 7.989 1.00 0.00 C ATOM 913 C TYR A 71 2.151 7.718 6.800 1.00 0.00 C ATOM 914 O TYR A 71 1.144 8.437 6.755 1.00 0.00 O ATOM 915 CB TYR A 71 2.692 5.315 7.574 1.00 0.00 C ATOM 916 CG TYR A 71 2.882 4.388 8.763 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.857 4.682 9.738 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.030 3.280 8.942 1.00 0.00 C ATOM 919 CE1 TYR A 71 3.949 3.907 10.909 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.122 2.495 10.106 1.00 0.00 C ATOM 921 CZ TYR A 71 3.066 2.824 11.106 1.00 0.00 C ATOM 922 OH TYR A 71 3.116 2.111 12.264 1.00 0.00 O ATOM 0 H TYR A 71 0.536 6.048 8.616 1.00 0.00 H new ATOM 0 HA TYR A 71 3.268 7.171 8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.876 4.942 6.955 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.592 5.298 6.959 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.537 5.507 9.585 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.303 3.032 8.182 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.694 4.141 11.655 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.472 1.642 10.236 1.00 0.00 H new ATOM 0 HH TYR A 71 3.635 1.292 12.122 1.00 0.00 H new ATOM 931 N THR A 72 3.078 7.741 5.842 1.00 0.00 N ATOM 932 CA THR A 72 2.986 8.493 4.577 1.00 0.00 C ATOM 933 C THR A 72 3.435 7.589 3.434 1.00 0.00 C ATOM 934 O THR A 72 4.050 6.559 3.699 1.00 0.00 O ATOM 935 CB THR A 72 3.859 9.757 4.623 1.00 0.00 C ATOM 936 OG1 THR A 72 5.148 9.446 5.109 1.00 0.00 O ATOM 937 CG2 THR A 72 3.254 10.832 5.528 1.00 0.00 C ATOM 0 H THR A 72 3.950 7.218 5.923 1.00 0.00 H new ATOM 0 HA THR A 72 1.953 8.806 4.423 1.00 0.00 H new ATOM 0 HB THR A 72 3.916 10.140 3.604 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.694 10.259 5.132 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.901 11.709 5.534 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.269 11.110 5.154 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.161 10.444 6.542 1.00 0.00 H new ATOM 945 N LEU A 73 3.151 7.946 2.177 1.00 0.00 N ATOM 946 CA LEU A 73 3.530 7.124 1.017 1.00 0.00 C ATOM 947 C LEU A 73 4.188 7.923 -0.112 1.00 0.00 C ATOM 948 O LEU A 73 4.130 9.156 -0.161 1.00 0.00 O ATOM 949 CB LEU A 73 2.336 6.255 0.549 1.00 0.00 C ATOM 950 CG LEU A 73 1.384 6.848 -0.514 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.264 5.844 -0.817 1.00 0.00 C ATOM 952 CD2 LEU A 73 0.752 8.180 -0.093 1.00 0.00 C ATOM 0 H LEU A 73 2.657 8.804 1.933 1.00 0.00 H new ATOM 0 HA LEU A 73 4.315 6.443 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.736 5.321 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.741 6.003 1.427 1.00 0.00 H new ATOM 0 HG LEU A 73 1.992 7.044 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.407 6.263 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.698 4.918 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.295 5.637 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.096 8.538 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.173 8.036 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.537 8.914 0.088 1.00 0.00 H new ATOM 963 N ALA A 74 4.798 7.189 -1.036 1.00 0.00 N ATOM 964 CA ALA A 74 5.493 7.711 -2.203 1.00 0.00 C ATOM 965 C ALA A 74 5.326 6.757 -3.397 1.00 0.00 C ATOM 966 O ALA A 74 6.228 5.978 -3.730 1.00 0.00 O ATOM 967 CB ALA A 74 6.947 7.959 -1.795 1.00 0.00 C ATOM 0 H ALA A 74 4.822 6.170 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 74 5.072 8.658 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.502 8.352 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.978 8.680 -0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.398 7.022 -1.469 1.00 0.00 H new ATOM 973 N GLU A 75 4.142 6.822 -4.017 1.00 0.00 N ATOM 974 CA GLU A 75 3.826 6.211 -5.308 1.00 0.00 C ATOM 975 C GLU A 75 4.265 7.237 -6.374 1.00 0.00 C ATOM 976 O GLU A 75 3.741 8.359 -6.356 1.00 0.00 O ATOM 977 CB GLU A 75 2.319 5.879 -5.359 1.00 0.00 C ATOM 978 CG GLU A 75 1.920 4.930 -6.499 1.00 0.00 C ATOM 979 CD GLU A 75 1.853 5.633 -7.862 1.00 0.00 C ATOM 980 OE1 GLU A 75 0.971 6.498 -8.075 1.00 0.00 O ATOM 981 OE2 GLU A 75 2.636 5.300 -8.778 1.00 0.00 O ATOM 0 H GLU A 75 3.349 7.322 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 75 4.343 5.267 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.025 5.432 -4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.757 6.808 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.638 4.112 -6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.949 4.488 -6.275 1.00 0.00 H new ATOM 986 N PRO A 76 5.291 6.956 -7.205 1.00 0.00 N ATOM 987 CA PRO A 76 6.040 8.014 -7.890 1.00 0.00 C ATOM 988 C PRO A 76 5.229 8.899 -8.847 1.00 0.00 C ATOM 989 O PRO A 76 4.613 8.379 -9.810 1.00 0.00 O ATOM 990 CB PRO A 76 7.212 7.325 -8.598 1.00 0.00 C ATOM 991 CG PRO A 76 7.404 6.014 -7.844 1.00 0.00 C ATOM 992 CD PRO A 76 6.019 5.690 -7.288 1.00 0.00 C ATOM 0 HA PRO A 76 6.372 8.734 -7.142 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.990 7.148 -9.650 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.112 7.938 -8.561 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.762 5.224 -8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.138 6.119 -7.045 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.497 4.986 -7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.096 5.223 -6.306 1.00 0.00 H new