USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot -63:sc= 1.3 USER MOD Set 1.2: A 71 SER OG : rot 47:sc= 0.95 USER MOD Set 2.1: A 2 GLN : amide:sc= -5.44! C(o=-6!,f=-9.1!) USER MOD Set 2.2: A 81 THR OG1 : rot 110:sc= -0.526 USER MOD Single : A 1 MET CE :methyl 178:sc= -0.0963 (180deg=-0.106) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0394 (180deg=-0.245) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -5.51! C(o=-6.1!,f=-5.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -2.21 K(o=-2.2,f=-3.5!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.430 14.118 -0.621 1.00 0.00 N ATOM 2 CA MET A 1 -1.546 13.338 0.291 1.00 0.00 C ATOM 3 C MET A 1 -2.064 13.445 1.724 1.00 0.00 C ATOM 4 O MET A 1 -1.349 13.837 2.625 1.00 0.00 O ATOM 5 CB MET A 1 -0.123 13.891 0.221 1.00 0.00 C ATOM 6 CG MET A 1 0.482 13.554 -1.140 1.00 0.00 C ATOM 7 SD MET A 1 2.183 14.167 -1.215 1.00 0.00 S ATOM 8 CE MET A 1 2.461 13.848 -2.974 1.00 0.00 C ATOM 0 H1 MET A 1 -2.226 13.859 -1.607 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.425 13.906 -0.405 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.256 15.135 -0.487 1.00 0.00 H new ATOM 0 HA MET A 1 -1.545 12.292 -0.016 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.132 14.971 0.371 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.485 13.464 1.018 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.466 12.476 -1.300 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.113 14.003 -1.935 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.458 14.190 -3.253 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.377 12.779 -3.168 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.716 14.383 -3.563 1.00 0.00 H new ATOM 20 N GLN A 2 -3.299 13.092 1.944 1.00 0.00 N ATOM 21 CA GLN A 2 -3.855 13.167 3.322 1.00 0.00 C ATOM 22 C GLN A 2 -3.435 11.914 4.090 1.00 0.00 C ATOM 23 O GLN A 2 -3.503 10.814 3.580 1.00 0.00 O ATOM 24 CB GLN A 2 -5.381 13.242 3.256 1.00 0.00 C ATOM 25 CG GLN A 2 -5.795 14.511 2.508 1.00 0.00 C ATOM 26 CD GLN A 2 -7.322 14.592 2.443 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.005 13.631 2.736 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.889 15.706 2.069 1.00 0.00 N ATOM 0 H GLN A 2 -3.946 12.756 1.231 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.477 14.056 3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.778 12.362 2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.800 13.247 4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.395 15.390 3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.378 14.505 1.501 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.315 16.513 1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.906 15.770 2.023 1.00 0.00 H new ATOM 37 N HIS A 3 -2.991 12.068 5.307 1.00 0.00 N ATOM 38 CA HIS A 3 -2.561 10.879 6.091 1.00 0.00 C ATOM 39 C HIS A 3 -1.492 10.122 5.300 1.00 0.00 C ATOM 40 O HIS A 3 -1.462 8.908 5.280 1.00 0.00 O ATOM 41 CB HIS A 3 -3.762 9.963 6.339 1.00 0.00 C ATOM 42 CG HIS A 3 -4.867 10.751 6.987 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.864 11.373 6.247 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.147 11.029 8.302 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.690 11.987 7.115 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.297 11.808 8.376 1.00 0.00 N ATOM 0 H HIS A 3 -2.908 12.963 5.790 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.153 11.199 7.050 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.108 9.537 5.398 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.472 9.130 6.979 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.565 10.695 9.148 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.562 12.554 6.826 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.746 12.167 9.219 1.00 0.00 H new ATOM 55 N ALA A 4 -0.621 10.835 4.639 1.00 0.00 N ATOM 56 CA ALA A 4 0.443 10.164 3.840 1.00 0.00 C ATOM 57 C ALA A 4 1.287 9.274 4.756 1.00 0.00 C ATOM 58 O ALA A 4 1.762 8.230 4.356 1.00 0.00 O ATOM 59 CB ALA A 4 1.339 11.225 3.198 1.00 0.00 C ATOM 0 H ALA A 4 -0.601 11.855 4.618 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.017 9.553 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.119 10.737 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.740 11.861 2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.798 11.834 3.977 1.00 0.00 H new ATOM 65 N SER A 5 1.480 9.679 5.981 1.00 0.00 N ATOM 66 CA SER A 5 2.296 8.856 6.918 1.00 0.00 C ATOM 67 C SER A 5 1.668 7.469 7.066 1.00 0.00 C ATOM 68 O SER A 5 2.356 6.469 7.138 1.00 0.00 O ATOM 69 CB SER A 5 2.348 9.539 8.285 1.00 0.00 C ATOM 70 OG SER A 5 3.263 8.845 9.122 1.00 0.00 O ATOM 0 H SER A 5 1.108 10.544 6.374 1.00 0.00 H new ATOM 0 HA SER A 5 3.307 8.755 6.522 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.656 10.579 8.173 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.357 9.547 8.738 1.00 0.00 H new ATOM 0 HG SER A 5 3.300 9.281 9.999 1.00 0.00 H new ATOM 76 N VAL A 6 0.367 7.397 7.107 1.00 0.00 N ATOM 77 CA VAL A 6 -0.301 6.071 7.247 1.00 0.00 C ATOM 78 C VAL A 6 -0.009 5.218 6.015 1.00 0.00 C ATOM 79 O VAL A 6 0.175 4.024 6.108 1.00 0.00 O ATOM 80 CB VAL A 6 -1.811 6.263 7.380 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.510 4.905 7.283 1.00 0.00 C ATOM 82 CG2 VAL A 6 -2.126 6.902 8.735 1.00 0.00 C ATOM 0 H VAL A 6 -0.263 8.197 7.050 1.00 0.00 H new ATOM 0 HA VAL A 6 0.081 5.572 8.138 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.166 6.912 6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.587 5.043 7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.286 4.449 6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.155 4.255 8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.203 7.039 8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.770 6.253 9.535 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.629 7.870 8.805 1.00 0.00 H new ATOM 92 N ILE A 7 0.027 5.822 4.861 1.00 0.00 N ATOM 93 CA ILE A 7 0.298 5.040 3.622 1.00 0.00 C ATOM 94 C ILE A 7 1.659 4.353 3.736 1.00 0.00 C ATOM 95 O ILE A 7 1.785 3.164 3.522 1.00 0.00 O ATOM 96 CB ILE A 7 0.303 5.991 2.426 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.056 6.690 2.336 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.557 5.199 1.143 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.010 7.776 1.261 1.00 0.00 C ATOM 0 H ILE A 7 -0.119 6.822 4.721 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.474 4.283 3.488 1.00 0.00 H new ATOM 0 HB ILE A 7 1.091 6.734 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.834 5.964 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.313 7.130 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.560 5.878 0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.522 4.697 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.230 4.456 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.980 8.270 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.245 8.509 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.773 7.325 0.298 1.00 0.00 H new ATOM 111 N ALA A 8 2.678 5.087 4.086 1.00 0.00 N ATOM 112 CA ALA A 8 4.025 4.465 4.228 1.00 0.00 C ATOM 113 C ALA A 8 3.978 3.444 5.362 1.00 0.00 C ATOM 114 O ALA A 8 4.503 2.355 5.260 1.00 0.00 O ATOM 115 CB ALA A 8 5.058 5.546 4.554 1.00 0.00 C ATOM 0 H ALA A 8 2.637 6.088 4.279 1.00 0.00 H new ATOM 0 HA ALA A 8 4.306 3.973 3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.042 5.089 4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.082 6.281 3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.787 6.039 5.488 1.00 0.00 H new ATOM 121 N GLN A 9 3.340 3.796 6.440 1.00 0.00 N ATOM 122 CA GLN A 9 3.233 2.859 7.591 1.00 0.00 C ATOM 123 C GLN A 9 2.361 1.664 7.201 1.00 0.00 C ATOM 124 O GLN A 9 2.575 0.555 7.643 1.00 0.00 O ATOM 125 CB GLN A 9 2.590 3.589 8.772 1.00 0.00 C ATOM 126 CG GLN A 9 2.516 2.655 9.981 1.00 0.00 C ATOM 127 CD GLN A 9 1.078 2.605 10.496 1.00 0.00 C ATOM 128 OE1 GLN A 9 0.797 3.045 11.593 1.00 0.00 O ATOM 129 NE2 GLN A 9 0.147 2.086 9.742 1.00 0.00 N ATOM 0 H GLN A 9 2.885 4.699 6.575 1.00 0.00 H new ATOM 0 HA GLN A 9 4.226 2.507 7.869 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.171 4.477 9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.590 3.928 8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.849 1.655 9.703 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.184 3.007 10.768 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.383 1.717 8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.817 2.050 10.074 1.00 0.00 H new ATOM 138 N PHE A 10 1.365 1.892 6.394 1.00 0.00 N ATOM 139 CA PHE A 10 0.452 0.782 5.995 1.00 0.00 C ATOM 140 C PHE A 10 1.238 -0.327 5.292 1.00 0.00 C ATOM 141 O PHE A 10 1.169 -1.480 5.669 1.00 0.00 O ATOM 142 CB PHE A 10 -0.602 1.345 5.039 1.00 0.00 C ATOM 143 CG PHE A 10 -1.657 0.307 4.754 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.535 -0.531 3.640 1.00 0.00 C ATOM 145 CD2 PHE A 10 -2.768 0.194 5.597 1.00 0.00 C ATOM 146 CE1 PHE A 10 -2.524 -1.482 3.369 1.00 0.00 C ATOM 147 CE2 PHE A 10 -3.756 -0.758 5.328 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.635 -1.596 4.213 1.00 0.00 C ATOM 0 H PHE A 10 1.141 2.802 5.991 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.022 0.361 6.882 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.063 2.231 5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.129 1.658 4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.677 -0.443 2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.862 0.842 6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.431 -2.128 2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.612 -0.847 5.980 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.399 -2.330 4.004 1.00 0.00 H new ATOM 158 N VAL A 11 1.987 0.006 4.282 1.00 0.00 N ATOM 159 CA VAL A 11 2.774 -1.036 3.570 1.00 0.00 C ATOM 160 C VAL A 11 3.977 -1.456 4.422 1.00 0.00 C ATOM 161 O VAL A 11 4.322 -2.618 4.500 1.00 0.00 O ATOM 162 CB VAL A 11 3.254 -0.482 2.227 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.044 -0.149 1.353 1.00 0.00 C ATOM 164 CG2 VAL A 11 4.076 0.785 2.455 1.00 0.00 C ATOM 0 H VAL A 11 2.089 0.953 3.918 1.00 0.00 H new ATOM 0 HA VAL A 11 2.144 -1.908 3.397 1.00 0.00 H new ATOM 0 HB VAL A 11 3.872 -1.230 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.384 0.246 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.457 -1.052 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.427 0.597 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.416 1.176 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.460 1.533 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.939 0.551 3.078 1.00 0.00 H new ATOM 174 N VAL A 12 4.624 -0.512 5.052 1.00 0.00 N ATOM 175 CA VAL A 12 5.813 -0.843 5.891 1.00 0.00 C ATOM 176 C VAL A 12 5.401 -1.710 7.085 1.00 0.00 C ATOM 177 O VAL A 12 6.120 -2.601 7.491 1.00 0.00 O ATOM 178 CB VAL A 12 6.455 0.453 6.391 1.00 0.00 C ATOM 179 CG1 VAL A 12 7.692 0.130 7.232 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.868 1.314 5.196 1.00 0.00 C ATOM 0 H VAL A 12 4.379 0.478 5.022 1.00 0.00 H new ATOM 0 HA VAL A 12 6.530 -1.401 5.288 1.00 0.00 H new ATOM 0 HB VAL A 12 5.734 0.995 7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.144 1.057 7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.401 -0.480 8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.413 -0.417 6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.325 2.237 5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.585 0.767 4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.988 1.553 4.598 1.00 0.00 H new ATOM 190 N GLU A 13 4.258 -1.451 7.661 1.00 0.00 N ATOM 191 CA GLU A 13 3.818 -2.257 8.839 1.00 0.00 C ATOM 192 C GLU A 13 3.783 -3.738 8.470 1.00 0.00 C ATOM 193 O GLU A 13 3.998 -4.598 9.300 1.00 0.00 O ATOM 194 CB GLU A 13 2.427 -1.810 9.284 1.00 0.00 C ATOM 195 CG GLU A 13 2.025 -2.574 10.543 1.00 0.00 C ATOM 196 CD GLU A 13 0.602 -2.185 10.946 1.00 0.00 C ATOM 197 OE1 GLU A 13 0.121 -2.715 11.933 1.00 0.00 O ATOM 198 OE2 GLU A 13 0.020 -1.361 10.261 1.00 0.00 O ATOM 0 H GLU A 13 3.611 -0.719 7.369 1.00 0.00 H new ATOM 0 HA GLU A 13 4.524 -2.105 9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.423 -0.738 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.704 -1.991 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.082 -3.648 10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.718 -2.349 11.354 1.00 0.00 H new ATOM 205 N GLU A 14 3.512 -4.045 7.235 1.00 0.00 N ATOM 206 CA GLU A 14 3.462 -5.473 6.823 1.00 0.00 C ATOM 207 C GLU A 14 4.855 -6.098 6.954 1.00 0.00 C ATOM 208 O GLU A 14 4.991 -7.274 7.227 1.00 0.00 O ATOM 209 CB GLU A 14 2.991 -5.570 5.371 1.00 0.00 C ATOM 210 CG GLU A 14 2.800 -7.040 5.001 1.00 0.00 C ATOM 211 CD GLU A 14 2.426 -7.151 3.523 1.00 0.00 C ATOM 212 OE1 GLU A 14 2.211 -8.263 3.068 1.00 0.00 O ATOM 213 OE2 GLU A 14 2.362 -6.124 2.870 1.00 0.00 O ATOM 0 H GLU A 14 3.323 -3.370 6.494 1.00 0.00 H new ATOM 0 HA GLU A 14 2.765 -6.010 7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.055 -5.026 5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.722 -5.108 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.716 -7.597 5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.019 -7.483 5.619 1.00 0.00 H new ATOM 220 N PHE A 15 5.889 -5.324 6.762 1.00 0.00 N ATOM 221 CA PHE A 15 7.266 -5.885 6.878 1.00 0.00 C ATOM 222 C PHE A 15 8.197 -4.847 7.516 1.00 0.00 C ATOM 223 O PHE A 15 9.292 -4.615 7.050 1.00 0.00 O ATOM 224 CB PHE A 15 7.785 -6.255 5.484 1.00 0.00 C ATOM 225 CG PHE A 15 8.003 -5.001 4.668 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.913 -4.356 4.072 1.00 0.00 C ATOM 227 CD2 PHE A 15 9.295 -4.489 4.502 1.00 0.00 C ATOM 228 CE1 PHE A 15 7.114 -3.198 3.312 1.00 0.00 C ATOM 229 CE2 PHE A 15 9.497 -3.329 3.742 1.00 0.00 C ATOM 230 CZ PHE A 15 8.406 -2.684 3.148 1.00 0.00 C ATOM 0 H PHE A 15 5.841 -4.332 6.531 1.00 0.00 H new ATOM 0 HA PHE A 15 7.241 -6.776 7.505 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.719 -6.811 5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.071 -6.907 4.981 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.916 -4.752 4.199 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.136 -4.988 4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.273 -2.701 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.494 -2.933 3.615 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.561 -1.789 2.563 1.00 0.00 H new ATOM 240 N LEU A 16 7.770 -4.219 8.579 1.00 0.00 N ATOM 241 CA LEU A 16 8.636 -3.199 9.233 1.00 0.00 C ATOM 242 C LEU A 16 9.678 -3.885 10.128 1.00 0.00 C ATOM 243 O LEU A 16 9.358 -4.785 10.877 1.00 0.00 O ATOM 244 CB LEU A 16 7.767 -2.237 10.069 1.00 0.00 C ATOM 245 CG LEU A 16 7.691 -2.656 11.550 1.00 0.00 C ATOM 246 CD1 LEU A 16 6.814 -1.655 12.303 1.00 0.00 C ATOM 247 CD2 LEU A 16 7.068 -4.051 11.685 1.00 0.00 C ATOM 0 H LEU A 16 6.863 -4.368 9.020 1.00 0.00 H new ATOM 0 HA LEU A 16 9.159 -2.630 8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.175 -1.229 9.999 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.761 -2.203 9.651 1.00 0.00 H new ATOM 0 HG LEU A 16 8.700 -2.674 11.963 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.753 -1.942 13.353 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.249 -0.659 12.224 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.814 -1.650 11.870 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.023 -4.329 12.738 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.061 -4.041 11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.677 -4.775 11.144 1.00 0.00 H new ATOM 259 N PRO A 17 10.915 -3.448 10.077 1.00 0.00 N ATOM 260 CA PRO A 17 11.993 -4.020 10.930 1.00 0.00 C ATOM 261 C PRO A 17 11.884 -3.478 12.360 1.00 0.00 C ATOM 262 O PRO A 17 10.808 -3.156 12.823 1.00 0.00 O ATOM 263 CB PRO A 17 13.274 -3.531 10.248 1.00 0.00 C ATOM 264 CG PRO A 17 12.896 -2.236 9.618 1.00 0.00 C ATOM 265 CD PRO A 17 11.432 -2.369 9.210 1.00 0.00 C ATOM 0 HA PRO A 17 11.951 -5.106 11.018 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.081 -3.400 10.969 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.624 -4.246 9.504 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.031 -1.410 10.316 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.524 -2.027 8.752 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.888 -1.437 9.365 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.333 -2.623 8.155 1.00 0.00 H new ATOM 273 N ASP A 18 12.974 -3.356 13.060 1.00 0.00 N ATOM 274 CA ASP A 18 12.905 -2.817 14.441 1.00 0.00 C ATOM 275 C ASP A 18 12.801 -1.291 14.370 1.00 0.00 C ATOM 276 O ASP A 18 12.955 -0.600 15.357 1.00 0.00 O ATOM 277 CB ASP A 18 14.169 -3.218 15.203 1.00 0.00 C ATOM 278 CG ASP A 18 15.397 -2.585 14.544 1.00 0.00 C ATOM 279 OD1 ASP A 18 15.218 -1.714 13.708 1.00 0.00 O ATOM 280 OD2 ASP A 18 16.498 -2.981 14.889 1.00 0.00 O ATOM 0 H ASP A 18 13.908 -3.606 12.735 1.00 0.00 H new ATOM 0 HA ASP A 18 12.034 -3.219 14.959 1.00 0.00 H new ATOM 0 HB2 ASP A 18 14.096 -2.895 16.242 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.269 -4.303 15.213 1.00 0.00 H new ATOM 285 N VAL A 19 12.547 -0.766 13.199 1.00 0.00 N ATOM 286 CA VAL A 19 12.439 0.713 13.041 1.00 0.00 C ATOM 287 C VAL A 19 11.002 1.092 12.680 1.00 0.00 C ATOM 288 O VAL A 19 10.377 0.467 11.846 1.00 0.00 O ATOM 289 CB VAL A 19 13.366 1.168 11.914 1.00 0.00 C ATOM 290 CG1 VAL A 19 13.363 2.695 11.834 1.00 0.00 C ATOM 291 CG2 VAL A 19 14.789 0.675 12.190 1.00 0.00 C ATOM 0 H VAL A 19 12.409 -1.302 12.342 1.00 0.00 H new ATOM 0 HA VAL A 19 12.720 1.195 13.977 1.00 0.00 H new ATOM 0 HB VAL A 19 13.015 0.754 10.969 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.024 3.019 11.030 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.351 3.047 11.635 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.712 3.110 12.780 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.449 1.000 11.386 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.140 1.087 13.136 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.793 -0.414 12.245 1.00 0.00 H new ATOM 301 N ALA A 20 10.474 2.117 13.291 1.00 0.00 N ATOM 302 CA ALA A 20 9.083 2.536 12.967 1.00 0.00 C ATOM 303 C ALA A 20 9.068 3.167 11.564 1.00 0.00 C ATOM 304 O ALA A 20 9.966 3.910 11.219 1.00 0.00 O ATOM 305 CB ALA A 20 8.612 3.570 13.993 1.00 0.00 C ATOM 0 H ALA A 20 10.945 2.681 13.999 1.00 0.00 H new ATOM 0 HA ALA A 20 8.420 1.672 12.993 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.593 3.878 13.758 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.637 3.131 14.990 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.270 4.438 13.963 1.00 0.00 H new ATOM 311 N PRO A 21 8.068 2.892 10.755 1.00 0.00 N ATOM 312 CA PRO A 21 7.984 3.474 9.383 1.00 0.00 C ATOM 313 C PRO A 21 8.226 4.985 9.382 1.00 0.00 C ATOM 314 O PRO A 21 8.737 5.543 8.431 1.00 0.00 O ATOM 315 CB PRO A 21 6.551 3.175 8.942 1.00 0.00 C ATOM 316 CG PRO A 21 6.122 1.989 9.739 1.00 0.00 C ATOM 317 CD PRO A 21 6.924 2.005 11.040 1.00 0.00 C ATOM 0 HA PRO A 21 8.742 3.053 8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.898 4.028 9.127 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.506 2.966 7.873 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.053 2.031 9.946 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.304 1.067 9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.327 2.381 11.870 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.256 1.004 11.314 1.00 0.00 H new ATOM 325 N ALA A 22 7.866 5.650 10.444 1.00 0.00 N ATOM 326 CA ALA A 22 8.080 7.124 10.512 1.00 0.00 C ATOM 327 C ALA A 22 9.581 7.418 10.527 1.00 0.00 C ATOM 328 O ALA A 22 10.021 8.489 10.159 1.00 0.00 O ATOM 329 CB ALA A 22 7.439 7.673 11.787 1.00 0.00 C ATOM 0 H ALA A 22 7.432 5.237 11.269 1.00 0.00 H new ATOM 0 HA ALA A 22 7.625 7.600 9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.595 8.751 11.838 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.370 7.461 11.777 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.895 7.199 12.656 1.00 0.00 H new ATOM 335 N ASP A 23 10.370 6.471 10.953 1.00 0.00 N ATOM 336 CA ASP A 23 11.844 6.683 10.998 1.00 0.00 C ATOM 337 C ASP A 23 12.479 6.043 9.765 1.00 0.00 C ATOM 338 O ASP A 23 13.683 6.036 9.605 1.00 0.00 O ATOM 339 CB ASP A 23 12.416 6.039 12.263 1.00 0.00 C ATOM 340 CG ASP A 23 11.895 6.781 13.495 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.346 7.857 13.327 1.00 0.00 O ATOM 342 OD2 ASP A 23 12.055 6.260 14.587 1.00 0.00 O ATOM 0 H ASP A 23 10.056 5.555 11.273 1.00 0.00 H new ATOM 0 HA ASP A 23 12.061 7.751 11.010 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.129 4.988 12.310 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.505 6.072 12.240 1.00 0.00 H new ATOM 347 N VAL A 24 11.673 5.511 8.889 1.00 0.00 N ATOM 348 CA VAL A 24 12.218 4.876 7.659 1.00 0.00 C ATOM 349 C VAL A 24 11.971 5.808 6.476 1.00 0.00 C ATOM 350 O VAL A 24 10.912 6.388 6.344 1.00 0.00 O ATOM 351 CB VAL A 24 11.514 3.540 7.414 1.00 0.00 C ATOM 352 CG1 VAL A 24 12.115 2.865 6.180 1.00 0.00 C ATOM 353 CG2 VAL A 24 11.705 2.634 8.631 1.00 0.00 C ATOM 0 H VAL A 24 10.657 5.489 8.973 1.00 0.00 H new ATOM 0 HA VAL A 24 13.287 4.698 7.776 1.00 0.00 H new ATOM 0 HB VAL A 24 10.450 3.715 7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.613 1.913 6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.982 3.510 5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.179 2.690 6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.204 1.682 8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.769 2.460 8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.278 3.113 9.512 1.00 0.00 H new ATOM 363 N ASP A 25 12.939 5.969 5.621 1.00 0.00 N ATOM 364 CA ASP A 25 12.748 6.877 4.460 1.00 0.00 C ATOM 365 C ASP A 25 11.637 6.332 3.563 1.00 0.00 C ATOM 366 O ASP A 25 11.851 5.444 2.761 1.00 0.00 O ATOM 367 CB ASP A 25 14.051 6.965 3.662 1.00 0.00 C ATOM 368 CG ASP A 25 15.120 7.662 4.505 1.00 0.00 C ATOM 369 OD1 ASP A 25 16.277 7.605 4.122 1.00 0.00 O ATOM 370 OD2 ASP A 25 14.765 8.239 5.518 1.00 0.00 O ATOM 0 H ASP A 25 13.850 5.513 5.675 1.00 0.00 H new ATOM 0 HA ASP A 25 12.472 7.869 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.387 5.966 3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.886 7.516 2.736 1.00 0.00 H new ATOM 375 N VAL A 26 10.450 6.861 3.690 1.00 0.00 N ATOM 376 CA VAL A 26 9.324 6.378 2.840 1.00 0.00 C ATOM 377 C VAL A 26 9.658 6.614 1.364 1.00 0.00 C ATOM 378 O VAL A 26 8.841 6.398 0.491 1.00 0.00 O ATOM 379 CB VAL A 26 8.051 7.147 3.201 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.797 7.037 4.705 1.00 0.00 C ATOM 381 CG2 VAL A 26 8.221 8.619 2.820 1.00 0.00 C ATOM 0 H VAL A 26 10.211 7.606 4.345 1.00 0.00 H new ATOM 0 HA VAL A 26 9.170 5.313 3.011 1.00 0.00 H new ATOM 0 HB VAL A 26 7.205 6.725 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.890 7.585 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.677 5.989 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.642 7.459 5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.315 9.168 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.067 9.040 3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.402 8.699 1.748 1.00 0.00 H new ATOM 391 N ASP A 27 10.858 7.043 1.076 1.00 0.00 N ATOM 392 CA ASP A 27 11.248 7.280 -0.341 1.00 0.00 C ATOM 393 C ASP A 27 11.814 5.983 -0.923 1.00 0.00 C ATOM 394 O ASP A 27 12.388 5.968 -1.993 1.00 0.00 O ATOM 395 CB ASP A 27 12.314 8.378 -0.402 1.00 0.00 C ATOM 396 CG ASP A 27 11.704 9.707 0.046 1.00 0.00 C ATOM 397 OD1 ASP A 27 12.461 10.631 0.290 1.00 0.00 O ATOM 398 OD2 ASP A 27 10.489 9.778 0.137 1.00 0.00 O ATOM 0 H ASP A 27 11.585 7.239 1.764 1.00 0.00 H new ATOM 0 HA ASP A 27 10.377 7.594 -0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.156 8.118 0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.702 8.467 -1.417 1.00 0.00 H new ATOM 403 N LEU A 28 11.655 4.895 -0.220 1.00 0.00 N ATOM 404 CA LEU A 28 12.182 3.596 -0.722 1.00 0.00 C ATOM 405 C LEU A 28 11.188 2.992 -1.706 1.00 0.00 C ATOM 406 O LEU A 28 10.005 2.918 -1.443 1.00 0.00 O ATOM 407 CB LEU A 28 12.377 2.636 0.453 1.00 0.00 C ATOM 408 CG LEU A 28 13.036 1.345 -0.040 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.478 1.629 -0.472 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.039 0.315 1.091 1.00 0.00 C ATOM 0 H LEU A 28 11.182 4.850 0.682 1.00 0.00 H new ATOM 0 HA LEU A 28 13.137 3.761 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.997 3.103 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.416 2.412 0.915 1.00 0.00 H new ATOM 0 HG LEU A 28 12.476 0.957 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.941 0.706 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.479 2.363 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.041 2.019 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.508 -0.606 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.598 0.709 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.014 0.107 1.397 1.00 0.00 H new ATOM 422 N ASP A 29 11.658 2.561 -2.842 1.00 0.00 N ATOM 423 CA ASP A 29 10.736 1.966 -3.839 1.00 0.00 C ATOM 424 C ASP A 29 10.206 0.640 -3.299 1.00 0.00 C ATOM 425 O ASP A 29 10.959 -0.259 -2.980 1.00 0.00 O ATOM 426 CB ASP A 29 11.483 1.726 -5.154 1.00 0.00 C ATOM 427 CG ASP A 29 11.878 3.070 -5.768 1.00 0.00 C ATOM 428 OD1 ASP A 29 11.372 4.080 -5.311 1.00 0.00 O ATOM 429 OD2 ASP A 29 12.683 3.064 -6.685 1.00 0.00 O ATOM 0 H ASP A 29 12.639 2.596 -3.120 1.00 0.00 H new ATOM 0 HA ASP A 29 9.904 2.647 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.372 1.121 -4.975 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.852 1.169 -5.847 1.00 0.00 H new ATOM 434 N LEU A 30 8.916 0.514 -3.187 1.00 0.00 N ATOM 435 CA LEU A 30 8.337 -0.750 -2.661 1.00 0.00 C ATOM 436 C LEU A 30 8.683 -1.901 -3.605 1.00 0.00 C ATOM 437 O LEU A 30 8.461 -3.056 -3.297 1.00 0.00 O ATOM 438 CB LEU A 30 6.815 -0.623 -2.558 1.00 0.00 C ATOM 439 CG LEU A 30 6.450 0.568 -1.670 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.931 0.624 -1.498 1.00 0.00 C ATOM 441 CD2 LEU A 30 7.112 0.406 -0.299 1.00 0.00 C ATOM 0 H LEU A 30 8.237 1.232 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 30 8.751 -0.947 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.384 -0.493 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.392 -1.539 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 30 6.800 1.490 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.667 1.472 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.458 0.738 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.583 -0.298 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.852 1.255 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.762 -0.515 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.194 0.363 -0.420 1.00 0.00 H new ATOM 453 N VAL A 31 9.211 -1.601 -4.760 1.00 0.00 N ATOM 454 CA VAL A 31 9.550 -2.688 -5.719 1.00 0.00 C ATOM 455 C VAL A 31 10.367 -3.759 -4.998 1.00 0.00 C ATOM 456 O VAL A 31 10.178 -4.942 -5.205 1.00 0.00 O ATOM 457 CB VAL A 31 10.366 -2.115 -6.879 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.796 -1.838 -6.410 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.395 -3.125 -8.029 1.00 0.00 C ATOM 0 H VAL A 31 9.421 -0.655 -5.079 1.00 0.00 H new ATOM 0 HA VAL A 31 8.633 -3.129 -6.109 1.00 0.00 H new ATOM 0 HB VAL A 31 9.909 -1.186 -7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.377 -1.430 -7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.777 -1.120 -5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.253 -2.767 -6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.976 -2.718 -8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.852 -4.053 -7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.377 -3.324 -8.364 1.00 0.00 H new ATOM 469 N ASP A 32 11.260 -3.360 -4.137 1.00 0.00 N ATOM 470 CA ASP A 32 12.064 -4.368 -3.390 1.00 0.00 C ATOM 471 C ASP A 32 11.097 -5.272 -2.626 1.00 0.00 C ATOM 472 O ASP A 32 11.288 -6.467 -2.522 1.00 0.00 O ATOM 473 CB ASP A 32 12.994 -3.658 -2.404 1.00 0.00 C ATOM 474 CG ASP A 32 14.052 -2.868 -3.178 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.733 -2.066 -2.562 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.162 -3.080 -4.375 1.00 0.00 O ATOM 0 H ASP A 32 11.468 -2.386 -3.918 1.00 0.00 H new ATOM 0 HA ASP A 32 12.669 -4.957 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.420 -2.987 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.474 -4.387 -1.751 1.00 0.00 H new ATOM 481 N ASN A 33 10.046 -4.696 -2.112 1.00 0.00 N ATOM 482 CA ASN A 33 9.030 -5.488 -1.369 1.00 0.00 C ATOM 483 C ASN A 33 8.005 -6.022 -2.367 1.00 0.00 C ATOM 484 O ASN A 33 6.924 -6.439 -2.002 1.00 0.00 O ATOM 485 CB ASN A 33 8.334 -4.596 -0.344 1.00 0.00 C ATOM 486 CG ASN A 33 9.371 -4.027 0.623 1.00 0.00 C ATOM 487 OD1 ASN A 33 9.785 -2.802 0.462 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 9.813 -4.706 1.529 1.00 0.00 N flip ATOM 0 H ASN A 33 9.847 -3.698 -2.177 1.00 0.00 H new ATOM 0 HA ASN A 33 9.510 -6.317 -0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.808 -3.785 -0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.586 -5.169 0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.488 -5.665 1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.509 -4.317 2.165 1.00 0.00 H new ATOM 495 N GLY A 34 8.335 -5.987 -3.629 1.00 0.00 N ATOM 496 CA GLY A 34 7.384 -6.468 -4.671 1.00 0.00 C ATOM 497 C GLY A 34 6.699 -7.747 -4.195 1.00 0.00 C ATOM 498 O GLY A 34 5.661 -8.125 -4.699 1.00 0.00 O ATOM 0 H GLY A 34 9.227 -5.644 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.638 -5.700 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.916 -6.655 -5.604 1.00 0.00 H new ATOM 502 N VAL A 35 7.249 -8.414 -3.222 1.00 0.00 N ATOM 503 CA VAL A 35 6.589 -9.651 -2.731 1.00 0.00 C ATOM 504 C VAL A 35 5.132 -9.317 -2.403 1.00 0.00 C ATOM 505 O VAL A 35 4.236 -10.113 -2.601 1.00 0.00 O ATOM 506 CB VAL A 35 7.296 -10.149 -1.473 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.857 -9.300 -0.286 1.00 0.00 C ATOM 508 CG2 VAL A 35 6.923 -11.612 -1.220 1.00 0.00 C ATOM 0 H VAL A 35 8.117 -8.160 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 35 6.637 -10.430 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 35 8.375 -10.070 -1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.358 -9.650 0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.121 -8.258 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.778 -9.384 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.428 -11.966 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.844 -11.695 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.230 -12.218 -2.072 1.00 0.00 H new ATOM 518 N ILE A 36 4.897 -8.132 -1.909 1.00 0.00 N ATOM 519 CA ILE A 36 3.509 -7.712 -1.569 1.00 0.00 C ATOM 520 C ILE A 36 2.706 -7.484 -2.851 1.00 0.00 C ATOM 521 O ILE A 36 1.497 -7.550 -2.860 1.00 0.00 O ATOM 522 CB ILE A 36 3.566 -6.394 -0.798 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.269 -6.203 -0.015 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.730 -5.240 -1.787 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.275 -4.830 0.660 1.00 0.00 C ATOM 0 H ILE A 36 5.615 -7.431 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 36 3.035 -8.490 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 36 4.409 -6.413 -0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.413 -6.287 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.166 -6.988 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.771 -4.297 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.653 -5.373 -2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.883 -5.226 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.349 -4.695 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.123 -4.763 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.358 -4.052 -0.099 1.00 0.00 H new ATOM 537 N ASP A 37 3.374 -7.184 -3.925 1.00 0.00 N ATOM 538 CA ASP A 37 2.657 -6.915 -5.206 1.00 0.00 C ATOM 539 C ASP A 37 1.894 -8.156 -5.679 1.00 0.00 C ATOM 540 O ASP A 37 0.885 -8.045 -6.347 1.00 0.00 O ATOM 541 CB ASP A 37 3.661 -6.498 -6.283 1.00 0.00 C ATOM 542 CG ASP A 37 4.313 -5.171 -5.889 1.00 0.00 C ATOM 543 OD1 ASP A 37 5.307 -4.817 -6.502 1.00 0.00 O ATOM 544 OD2 ASP A 37 3.807 -4.532 -4.982 1.00 0.00 O ATOM 0 H ASP A 37 4.390 -7.112 -3.975 1.00 0.00 H new ATOM 0 HA ASP A 37 1.942 -6.111 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.423 -7.268 -6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.157 -6.396 -7.244 1.00 0.00 H new ATOM 549 N SER A 38 2.372 -9.334 -5.371 1.00 0.00 N ATOM 550 CA SER A 38 1.669 -10.562 -5.846 1.00 0.00 C ATOM 551 C SER A 38 0.900 -11.235 -4.706 1.00 0.00 C ATOM 552 O SER A 38 -0.310 -11.334 -4.738 1.00 0.00 O ATOM 553 CB SER A 38 2.700 -11.543 -6.405 1.00 0.00 C ATOM 554 OG SER A 38 3.052 -11.151 -7.736 1.00 0.00 O ATOM 0 H SER A 38 3.212 -9.498 -4.816 1.00 0.00 H new ATOM 0 HA SER A 38 0.956 -10.275 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.587 -11.557 -5.771 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.293 -12.554 -6.407 1.00 0.00 H new ATOM 0 HG SER A 38 3.714 -11.777 -8.097 1.00 0.00 H new ATOM 559 N LEU A 39 1.591 -11.729 -3.718 1.00 0.00 N ATOM 560 CA LEU A 39 0.893 -12.429 -2.602 1.00 0.00 C ATOM 561 C LEU A 39 0.179 -11.432 -1.689 1.00 0.00 C ATOM 562 O LEU A 39 -0.993 -11.570 -1.401 1.00 0.00 O ATOM 563 CB LEU A 39 1.912 -13.222 -1.781 1.00 0.00 C ATOM 564 CG LEU A 39 2.444 -14.403 -2.597 1.00 0.00 C ATOM 565 CD1 LEU A 39 3.628 -13.952 -3.456 1.00 0.00 C ATOM 566 CD2 LEU A 39 2.902 -15.508 -1.644 1.00 0.00 C ATOM 0 H LEU A 39 2.606 -11.679 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 39 0.150 -13.101 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.737 -12.573 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.448 -13.584 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 39 1.653 -14.778 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.001 -14.798 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.305 -13.163 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.422 -13.574 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.282 -16.351 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.691 -15.126 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.060 -15.835 -1.035 1.00 0.00 H new ATOM 578 N GLY A 40 0.874 -10.437 -1.222 1.00 0.00 N ATOM 579 CA GLY A 40 0.232 -9.443 -0.318 1.00 0.00 C ATOM 580 C GLY A 40 -0.854 -8.685 -1.074 1.00 0.00 C ATOM 581 O GLY A 40 -1.903 -8.382 -0.541 1.00 0.00 O ATOM 0 H GLY A 40 1.859 -10.267 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.199 -9.948 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.979 -8.746 0.060 1.00 0.00 H new ATOM 585 N LEU A 41 -0.607 -8.368 -2.311 1.00 0.00 N ATOM 586 CA LEU A 41 -1.617 -7.620 -3.105 1.00 0.00 C ATOM 587 C LEU A 41 -2.890 -8.448 -3.222 1.00 0.00 C ATOM 588 O LEU A 41 -3.984 -7.942 -3.100 1.00 0.00 O ATOM 589 CB LEU A 41 -1.061 -7.349 -4.504 1.00 0.00 C ATOM 590 CG LEU A 41 -2.007 -6.425 -5.274 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.187 -5.448 -6.118 1.00 0.00 C ATOM 592 CD2 LEU A 41 -2.898 -7.259 -6.200 1.00 0.00 C ATOM 0 H LEU A 41 0.254 -8.595 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.842 -6.676 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.074 -6.892 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.938 -8.288 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.627 -5.874 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.859 -4.789 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.547 -4.853 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.569 -6.005 -6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.571 -6.600 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.275 -7.809 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.482 -7.962 -5.606 1.00 0.00 H new ATOM 604 N LEU A 42 -2.761 -9.720 -3.455 1.00 0.00 N ATOM 605 CA LEU A 42 -3.980 -10.562 -3.586 1.00 0.00 C ATOM 606 C LEU A 42 -4.786 -10.453 -2.295 1.00 0.00 C ATOM 607 O LEU A 42 -5.989 -10.288 -2.312 1.00 0.00 O ATOM 608 CB LEU A 42 -3.570 -12.018 -3.820 1.00 0.00 C ATOM 609 CG LEU A 42 -4.660 -12.746 -4.607 1.00 0.00 C ATOM 610 CD1 LEU A 42 -6.017 -12.552 -3.929 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.718 -12.184 -6.025 1.00 0.00 C ATOM 0 H LEU A 42 -1.873 -10.211 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.583 -10.224 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.628 -12.056 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.405 -12.516 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.427 -13.810 -4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.786 -13.075 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.979 -12.954 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.255 -11.489 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.494 -12.701 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.946 -11.119 -5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.755 -12.331 -6.514 1.00 0.00 H new ATOM 623 N LYS A 43 -4.131 -10.524 -1.172 1.00 0.00 N ATOM 624 CA LYS A 43 -4.857 -10.404 0.117 1.00 0.00 C ATOM 625 C LYS A 43 -5.416 -8.984 0.254 1.00 0.00 C ATOM 626 O LYS A 43 -6.497 -8.778 0.767 1.00 0.00 O ATOM 627 CB LYS A 43 -3.892 -10.687 1.264 1.00 0.00 C ATOM 628 CG LYS A 43 -3.422 -12.140 1.191 1.00 0.00 C ATOM 629 CD LYS A 43 -2.549 -12.456 2.406 1.00 0.00 C ATOM 630 CE LYS A 43 -1.977 -13.868 2.273 1.00 0.00 C ATOM 631 NZ LYS A 43 -1.112 -14.168 3.449 1.00 0.00 N ATOM 0 H LYS A 43 -3.123 -10.660 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.678 -11.120 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.036 -10.014 1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.382 -10.500 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.281 -12.810 1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.859 -12.305 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.739 -11.730 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.137 -12.376 3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.787 -14.595 2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.399 -13.952 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.723 -15.128 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.332 -13.481 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.676 -14.104 4.320 1.00 0.00 H new ATOM 645 N VAL A 44 -4.674 -8.003 -0.188 1.00 0.00 N ATOM 646 CA VAL A 44 -5.145 -6.591 -0.070 1.00 0.00 C ATOM 647 C VAL A 44 -6.359 -6.338 -0.968 1.00 0.00 C ATOM 648 O VAL A 44 -7.339 -5.767 -0.544 1.00 0.00 O ATOM 649 CB VAL A 44 -4.015 -5.649 -0.479 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.538 -4.212 -0.509 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.875 -5.757 0.535 1.00 0.00 C ATOM 0 H VAL A 44 -3.760 -8.119 -0.626 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.436 -6.410 0.965 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.649 -5.923 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.733 -3.538 -0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.353 -4.136 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.901 -3.936 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.066 -5.086 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.240 -5.480 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.505 -6.782 0.558 1.00 0.00 H new ATOM 661 N ILE A 45 -6.307 -6.741 -2.205 1.00 0.00 N ATOM 662 CA ILE A 45 -7.468 -6.497 -3.102 1.00 0.00 C ATOM 663 C ILE A 45 -8.708 -7.201 -2.552 1.00 0.00 C ATOM 664 O ILE A 45 -9.789 -6.648 -2.540 1.00 0.00 O ATOM 665 CB ILE A 45 -7.154 -7.029 -4.504 1.00 0.00 C ATOM 666 CG1 ILE A 45 -5.922 -6.318 -5.085 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.351 -6.782 -5.412 1.00 0.00 C ATOM 668 CD1 ILE A 45 -6.106 -4.801 -5.016 1.00 0.00 C ATOM 0 H ILE A 45 -5.517 -7.225 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.660 -5.425 -3.155 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.946 -8.097 -4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.030 -6.609 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.769 -6.626 -6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.133 -7.159 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.224 -7.298 -5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.554 -5.712 -5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.226 -4.309 -5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.987 -4.515 -5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.236 -4.497 -3.977 1.00 0.00 H new ATOM 680 N ALA A 46 -8.571 -8.416 -2.103 1.00 0.00 N ATOM 681 CA ALA A 46 -9.752 -9.145 -1.566 1.00 0.00 C ATOM 682 C ALA A 46 -10.235 -8.487 -0.270 1.00 0.00 C ATOM 683 O ALA A 46 -11.416 -8.275 -0.071 1.00 0.00 O ATOM 684 CB ALA A 46 -9.353 -10.592 -1.277 1.00 0.00 C ATOM 0 H ALA A 46 -7.693 -8.935 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.557 -9.115 -2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.212 -11.135 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.015 -11.067 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.547 -10.608 -0.544 1.00 0.00 H new ATOM 690 N TRP A 47 -9.332 -8.164 0.613 1.00 0.00 N ATOM 691 CA TRP A 47 -9.735 -7.525 1.897 1.00 0.00 C ATOM 692 C TRP A 47 -10.057 -6.047 1.670 1.00 0.00 C ATOM 693 O TRP A 47 -11.058 -5.539 2.137 1.00 0.00 O ATOM 694 CB TRP A 47 -8.594 -7.662 2.900 1.00 0.00 C ATOM 695 CG TRP A 47 -8.655 -6.547 3.887 1.00 0.00 C ATOM 696 CD1 TRP A 47 -9.760 -6.141 4.553 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.572 -5.690 4.329 1.00 0.00 C ATOM 698 NE1 TRP A 47 -9.418 -5.085 5.378 1.00 0.00 N ATOM 699 CE2 TRP A 47 -8.076 -4.771 5.275 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.213 -5.630 4.000 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.253 -3.819 5.876 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.378 -4.675 4.599 1.00 0.00 C ATOM 703 CH2 TRP A 47 -5.898 -3.771 5.537 1.00 0.00 C ATOM 0 H TRP A 47 -8.330 -8.315 0.501 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.626 -8.018 2.286 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.663 -8.620 3.415 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.636 -7.648 2.380 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -10.746 -6.570 4.457 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -10.075 -4.598 5.987 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.804 -6.324 3.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.659 -3.125 6.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.331 -4.636 4.337 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.252 -3.038 5.997 1.00 0.00 H new ATOM 714 N LEU A 48 -9.210 -5.353 0.966 1.00 0.00 N ATOM 715 CA LEU A 48 -9.452 -3.907 0.714 1.00 0.00 C ATOM 716 C LEU A 48 -10.810 -3.719 0.035 1.00 0.00 C ATOM 717 O LEU A 48 -11.553 -2.813 0.359 1.00 0.00 O ATOM 718 CB LEU A 48 -8.344 -3.368 -0.193 1.00 0.00 C ATOM 719 CG LEU A 48 -8.466 -1.854 -0.320 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.799 -1.196 0.884 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.771 -1.397 -1.604 1.00 0.00 C ATOM 0 H LEU A 48 -8.356 -5.727 0.552 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.451 -3.365 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.368 -3.630 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.411 -3.831 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.517 -1.569 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.883 -0.113 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.291 -1.528 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.746 -1.477 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.856 -0.314 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.718 -1.676 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.243 -1.874 -2.463 1.00 0.00 H new ATOM 733 N GLU A 49 -11.151 -4.567 -0.897 1.00 0.00 N ATOM 734 CA GLU A 49 -12.469 -4.423 -1.574 1.00 0.00 C ATOM 735 C GLU A 49 -13.578 -4.569 -0.536 1.00 0.00 C ATOM 736 O GLU A 49 -14.539 -3.828 -0.533 1.00 0.00 O ATOM 737 CB GLU A 49 -12.610 -5.494 -2.665 1.00 0.00 C ATOM 738 CG GLU A 49 -14.082 -5.863 -2.858 1.00 0.00 C ATOM 739 CD GLU A 49 -14.229 -6.741 -4.102 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.212 -7.114 -4.664 1.00 0.00 O ATOM 741 OE2 GLU A 49 -15.356 -7.027 -4.472 1.00 0.00 O ATOM 0 H GLU A 49 -10.578 -5.348 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.543 -3.441 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.194 -5.125 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.039 -6.381 -2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.453 -6.392 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.683 -4.960 -2.964 1.00 0.00 H new ATOM 748 N ASP A 50 -13.449 -5.511 0.353 1.00 0.00 N ATOM 749 CA ASP A 50 -14.492 -5.694 1.399 1.00 0.00 C ATOM 750 C ASP A 50 -14.494 -4.484 2.338 1.00 0.00 C ATOM 751 O ASP A 50 -15.526 -4.053 2.814 1.00 0.00 O ATOM 752 CB ASP A 50 -14.188 -6.957 2.202 1.00 0.00 C ATOM 753 CG ASP A 50 -15.372 -7.281 3.114 1.00 0.00 C ATOM 754 OD1 ASP A 50 -15.250 -8.204 3.903 1.00 0.00 O ATOM 755 OD2 ASP A 50 -16.379 -6.601 3.009 1.00 0.00 O ATOM 0 H ASP A 50 -12.666 -6.163 0.401 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.469 -5.787 0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.996 -7.792 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.286 -6.814 2.797 1.00 0.00 H new ATOM 760 N ARG A 51 -13.339 -3.950 2.624 1.00 0.00 N ATOM 761 CA ARG A 51 -13.252 -2.784 3.551 1.00 0.00 C ATOM 762 C ARG A 51 -14.050 -1.590 3.014 1.00 0.00 C ATOM 763 O ARG A 51 -14.782 -0.955 3.747 1.00 0.00 O ATOM 764 CB ARG A 51 -11.783 -2.383 3.706 1.00 0.00 C ATOM 765 CG ARG A 51 -11.663 -1.248 4.726 1.00 0.00 C ATOM 766 CD ARG A 51 -10.199 -0.819 4.836 1.00 0.00 C ATOM 767 NE ARG A 51 -10.064 0.238 5.878 1.00 0.00 N ATOM 768 CZ ARG A 51 -9.893 -0.092 7.129 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.764 0.836 8.037 1.00 0.00 N ATOM 770 NH2 ARG A 51 -9.854 -1.351 7.473 1.00 0.00 N ATOM 0 H ARG A 51 -12.445 -4.273 2.253 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.674 -3.071 4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.194 -3.241 4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.379 -2.065 2.745 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.280 -0.403 4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.032 -1.577 5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.577 -1.677 5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.846 -0.444 3.875 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.105 1.222 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.797 1.820 7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.630 0.578 9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.957 -2.077 6.764 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.720 -1.609 8.451 1.00 0.00 H new ATOM 784 N PHE A 52 -13.905 -1.264 1.753 1.00 0.00 N ATOM 785 CA PHE A 52 -14.646 -0.096 1.192 1.00 0.00 C ATOM 786 C PHE A 52 -15.614 -0.539 0.094 1.00 0.00 C ATOM 787 O PHE A 52 -16.310 0.268 -0.489 1.00 0.00 O ATOM 788 CB PHE A 52 -13.641 0.904 0.624 1.00 0.00 C ATOM 789 CG PHE A 52 -13.030 1.688 1.759 1.00 0.00 C ATOM 790 CD1 PHE A 52 -13.736 2.757 2.324 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.765 1.348 2.251 1.00 0.00 C ATOM 792 CE1 PHE A 52 -13.179 3.485 3.381 1.00 0.00 C ATOM 793 CE2 PHE A 52 -11.206 2.077 3.309 1.00 0.00 C ATOM 794 CZ PHE A 52 -11.914 3.144 3.874 1.00 0.00 C ATOM 0 H PHE A 52 -13.306 -1.756 1.090 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.227 0.369 1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.864 0.381 0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.135 1.578 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.712 3.020 1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.220 0.524 1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.725 4.309 3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.229 1.816 3.688 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.484 3.705 4.691 1.00 0.00 H new ATOM 804 N GLY A 53 -15.673 -1.807 -0.198 1.00 0.00 N ATOM 805 CA GLY A 53 -16.608 -2.276 -1.260 1.00 0.00 C ATOM 806 C GLY A 53 -16.098 -1.818 -2.628 1.00 0.00 C ATOM 807 O GLY A 53 -16.861 -1.405 -3.478 1.00 0.00 O ATOM 0 H GLY A 53 -15.118 -2.537 0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.688 -3.363 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.607 -1.879 -1.081 1.00 0.00 H new ATOM 811 N ILE A 54 -14.813 -1.884 -2.847 1.00 0.00 N ATOM 812 CA ILE A 54 -14.257 -1.449 -4.158 1.00 0.00 C ATOM 813 C ILE A 54 -14.085 -2.670 -5.062 1.00 0.00 C ATOM 814 O ILE A 54 -13.710 -3.732 -4.617 1.00 0.00 O ATOM 815 CB ILE A 54 -12.899 -0.785 -3.933 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.058 0.374 -2.947 1.00 0.00 C ATOM 817 CG2 ILE A 54 -12.363 -0.251 -5.262 1.00 0.00 C ATOM 818 CD1 ILE A 54 -11.678 0.893 -2.544 1.00 0.00 C ATOM 0 H ILE A 54 -14.125 -2.221 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 54 -14.936 -0.739 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.200 -1.517 -3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.641 1.175 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.606 0.042 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.395 0.222 -5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.251 -1.075 -5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.061 0.481 -5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.791 1.719 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.111 0.090 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.147 1.240 -3.430 1.00 0.00 H new ATOM 830 N ALA A 55 -14.362 -2.533 -6.327 1.00 0.00 N ATOM 831 CA ALA A 55 -14.220 -3.697 -7.245 1.00 0.00 C ATOM 832 C ALA A 55 -12.761 -4.153 -7.266 1.00 0.00 C ATOM 833 O ALA A 55 -11.848 -3.352 -7.250 1.00 0.00 O ATOM 834 CB ALA A 55 -14.646 -3.288 -8.656 1.00 0.00 C ATOM 0 H ALA A 55 -14.680 -1.668 -6.765 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.852 -4.514 -6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.542 -4.139 -9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.686 -2.961 -8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.014 -2.471 -9.005 1.00 0.00 H new ATOM 840 N ALA A 56 -12.536 -5.438 -7.297 1.00 0.00 N ATOM 841 CA ALA A 56 -11.138 -5.948 -7.316 1.00 0.00 C ATOM 842 C ALA A 56 -10.436 -5.458 -8.584 1.00 0.00 C ATOM 843 O ALA A 56 -9.245 -5.222 -8.597 1.00 0.00 O ATOM 844 CB ALA A 56 -11.153 -7.478 -7.300 1.00 0.00 C ATOM 0 H ALA A 56 -13.261 -6.156 -7.310 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.604 -5.581 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.129 -7.852 -7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.655 -7.828 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.686 -7.846 -8.177 1.00 0.00 H new ATOM 850 N ASP A 57 -11.170 -5.306 -9.653 1.00 0.00 N ATOM 851 CA ASP A 57 -10.556 -4.832 -10.924 1.00 0.00 C ATOM 852 C ASP A 57 -10.637 -3.307 -10.994 1.00 0.00 C ATOM 853 O ASP A 57 -10.363 -2.705 -12.014 1.00 0.00 O ATOM 854 CB ASP A 57 -11.306 -5.438 -12.109 1.00 0.00 C ATOM 855 CG ASP A 57 -11.095 -6.952 -12.128 1.00 0.00 C ATOM 856 OD1 ASP A 57 -11.811 -7.622 -12.854 1.00 0.00 O ATOM 857 OD2 ASP A 57 -10.219 -7.418 -11.418 1.00 0.00 O ATOM 0 H ASP A 57 -12.172 -5.491 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.511 -5.141 -10.959 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.369 -5.210 -12.035 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.950 -4.999 -13.041 1.00 0.00 H new ATOM 862 N ASP A 58 -11.014 -2.676 -9.917 1.00 0.00 N ATOM 863 CA ASP A 58 -11.118 -1.189 -9.917 1.00 0.00 C ATOM 864 C ASP A 58 -9.803 -0.582 -10.409 1.00 0.00 C ATOM 865 O ASP A 58 -9.790 0.446 -11.055 1.00 0.00 O ATOM 866 CB ASP A 58 -11.407 -0.699 -8.499 1.00 0.00 C ATOM 867 CG ASP A 58 -11.738 0.794 -8.533 1.00 0.00 C ATOM 868 OD1 ASP A 58 -11.828 1.337 -9.621 1.00 0.00 O ATOM 869 OD2 ASP A 58 -11.897 1.369 -7.469 1.00 0.00 O ATOM 0 H ASP A 58 -11.255 -3.127 -9.034 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.927 -0.883 -10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.240 -1.258 -8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.543 -0.876 -7.858 1.00 0.00 H new ATOM 874 N VAL A 59 -8.699 -1.208 -10.102 1.00 0.00 N ATOM 875 CA VAL A 59 -7.381 -0.666 -10.545 1.00 0.00 C ATOM 876 C VAL A 59 -6.610 -1.748 -11.305 1.00 0.00 C ATOM 877 O VAL A 59 -6.872 -2.926 -11.165 1.00 0.00 O ATOM 878 CB VAL A 59 -6.571 -0.237 -9.320 1.00 0.00 C ATOM 879 CG1 VAL A 59 -7.389 0.755 -8.491 1.00 0.00 C ATOM 880 CG2 VAL A 59 -6.247 -1.466 -8.467 1.00 0.00 C ATOM 0 H VAL A 59 -8.652 -2.073 -9.563 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.544 0.192 -11.198 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.644 0.236 -9.645 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.813 1.061 -7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.622 1.630 -9.097 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.315 0.281 -8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.670 -1.161 -7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.174 -1.938 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.666 -2.175 -9.057 1.00 0.00 H new ATOM 890 N GLU A 60 -5.661 -1.356 -12.110 1.00 0.00 N ATOM 891 CA GLU A 60 -4.872 -2.359 -12.878 1.00 0.00 C ATOM 892 C GLU A 60 -3.612 -2.721 -12.091 1.00 0.00 C ATOM 893 O GLU A 60 -3.091 -1.926 -11.335 1.00 0.00 O ATOM 894 CB GLU A 60 -4.476 -1.768 -14.233 1.00 0.00 C ATOM 895 CG GLU A 60 -5.731 -1.418 -15.023 1.00 0.00 C ATOM 896 CD GLU A 60 -5.336 -0.898 -16.408 1.00 0.00 C ATOM 897 OE1 GLU A 60 -4.156 -0.676 -16.621 1.00 0.00 O ATOM 898 OE2 GLU A 60 -6.222 -0.731 -17.230 1.00 0.00 O ATOM 0 H GLU A 60 -5.398 -0.383 -12.269 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.474 -3.254 -13.036 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.865 -0.877 -14.088 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.871 -2.483 -14.790 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.368 -2.297 -15.121 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.309 -0.663 -14.491 1.00 0.00 H new ATOM 905 N LEU A 61 -3.122 -3.919 -12.254 1.00 0.00 N ATOM 906 CA LEU A 61 -1.901 -4.329 -11.508 1.00 0.00 C ATOM 907 C LEU A 61 -0.671 -4.177 -12.404 1.00 0.00 C ATOM 908 O LEU A 61 -0.657 -4.616 -13.537 1.00 0.00 O ATOM 909 CB LEU A 61 -2.036 -5.791 -11.077 1.00 0.00 C ATOM 910 CG LEU A 61 -3.225 -5.942 -10.129 1.00 0.00 C ATOM 911 CD1 LEU A 61 -4.530 -5.656 -10.877 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.257 -7.372 -9.582 1.00 0.00 C ATOM 0 H LEU A 61 -3.514 -4.630 -12.871 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.787 -3.695 -10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.173 -6.427 -11.952 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.121 -6.121 -10.584 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.121 -5.233 -9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.372 -5.766 -10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.510 -4.639 -11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.638 -6.360 -11.702 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.104 -7.484 -8.905 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.358 -8.076 -10.408 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.332 -7.576 -9.043 1.00 0.00 H new ATOM 924 N SER A 62 0.368 -3.568 -11.902 1.00 0.00 N ATOM 925 CA SER A 62 1.601 -3.398 -12.718 1.00 0.00 C ATOM 926 C SER A 62 2.753 -2.962 -11.801 1.00 0.00 C ATOM 927 O SER A 62 2.548 -2.212 -10.866 1.00 0.00 O ATOM 928 CB SER A 62 1.365 -2.327 -13.784 1.00 0.00 C ATOM 929 OG SER A 62 1.755 -2.835 -15.054 1.00 0.00 O ATOM 0 H SER A 62 0.415 -3.180 -10.960 1.00 0.00 H new ATOM 0 HA SER A 62 1.853 -4.341 -13.204 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.314 -2.040 -13.801 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.936 -1.430 -13.547 1.00 0.00 H new ATOM 0 HG SER A 62 1.604 -2.152 -15.740 1.00 0.00 H new ATOM 935 N PRO A 63 3.953 -3.425 -12.055 1.00 0.00 N ATOM 936 CA PRO A 63 5.137 -3.062 -11.222 1.00 0.00 C ATOM 937 C PRO A 63 5.440 -1.562 -11.274 1.00 0.00 C ATOM 938 O PRO A 63 6.040 -1.005 -10.376 1.00 0.00 O ATOM 939 CB PRO A 63 6.293 -3.865 -11.830 1.00 0.00 C ATOM 940 CG PRO A 63 5.842 -4.260 -13.198 1.00 0.00 C ATOM 941 CD PRO A 63 4.318 -4.327 -13.157 1.00 0.00 C ATOM 0 HA PRO A 63 4.968 -3.288 -10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.203 -3.266 -11.876 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.520 -4.743 -11.225 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.177 -3.535 -13.940 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.264 -5.224 -13.481 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.879 -4.003 -14.100 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.968 -5.343 -12.974 1.00 0.00 H new ATOM 949 N GLU A 64 5.034 -0.908 -12.328 1.00 0.00 N ATOM 950 CA GLU A 64 5.299 0.553 -12.454 1.00 0.00 C ATOM 951 C GLU A 64 4.539 1.325 -11.370 1.00 0.00 C ATOM 952 O GLU A 64 4.979 2.357 -10.903 1.00 0.00 O ATOM 953 CB GLU A 64 4.837 1.031 -13.829 1.00 0.00 C ATOM 954 CG GLU A 64 5.676 0.362 -14.912 1.00 0.00 C ATOM 955 CD GLU A 64 5.258 0.891 -16.284 1.00 0.00 C ATOM 956 OE1 GLU A 64 4.265 1.596 -16.349 1.00 0.00 O ATOM 957 OE2 GLU A 64 5.940 0.585 -17.249 1.00 0.00 O ATOM 0 H GLU A 64 4.528 -1.324 -13.110 1.00 0.00 H new ATOM 0 HA GLU A 64 6.368 0.732 -12.335 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.783 0.793 -13.973 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.932 2.115 -13.899 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.734 0.561 -14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.544 -0.719 -14.872 1.00 0.00 H new ATOM 964 N HIS A 65 3.390 0.843 -10.986 1.00 0.00 N ATOM 965 CA HIS A 65 2.577 1.554 -9.953 1.00 0.00 C ATOM 966 C HIS A 65 3.196 1.406 -8.557 1.00 0.00 C ATOM 967 O HIS A 65 2.983 2.231 -7.690 1.00 0.00 O ATOM 968 CB HIS A 65 1.164 0.969 -9.941 1.00 0.00 C ATOM 969 CG HIS A 65 0.318 1.720 -8.949 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.012 3.056 -9.121 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.271 1.335 -7.771 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.769 3.425 -8.071 1.00 0.00 C ATOM 973 NE2 HIS A 65 -0.955 2.414 -7.222 1.00 0.00 N ATOM 0 H HIS A 65 2.975 -0.017 -11.344 1.00 0.00 H new ATOM 0 HA HIS A 65 2.551 2.614 -10.205 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.723 1.036 -10.935 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.199 -0.088 -9.678 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.268 3.651 -9.901 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.212 0.347 -7.338 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.175 4.416 -7.933 1.00 0.00 H new ATOM 982 N PHE A 66 3.930 0.356 -8.313 1.00 0.00 N ATOM 983 CA PHE A 66 4.519 0.165 -6.953 1.00 0.00 C ATOM 984 C PHE A 66 5.973 0.643 -6.914 1.00 0.00 C ATOM 985 O PHE A 66 6.688 0.394 -5.963 1.00 0.00 O ATOM 986 CB PHE A 66 4.454 -1.317 -6.584 1.00 0.00 C ATOM 987 CG PHE A 66 3.007 -1.740 -6.513 1.00 0.00 C ATOM 988 CD1 PHE A 66 2.394 -2.330 -7.625 1.00 0.00 C ATOM 989 CD2 PHE A 66 2.275 -1.533 -5.337 1.00 0.00 C ATOM 990 CE1 PHE A 66 1.049 -2.711 -7.561 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.931 -1.916 -5.273 1.00 0.00 C ATOM 992 CZ PHE A 66 0.317 -2.504 -6.385 1.00 0.00 C ATOM 0 H PHE A 66 4.148 -0.375 -8.990 1.00 0.00 H new ATOM 0 HA PHE A 66 3.947 0.755 -6.236 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.985 -1.914 -7.325 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.944 -1.489 -5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.959 -2.491 -8.531 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.748 -1.078 -4.480 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.575 -3.165 -8.419 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.367 -1.758 -4.366 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.721 -2.798 -6.336 1.00 0.00 H new ATOM 1002 N ARG A 67 6.422 1.325 -7.929 1.00 0.00 N ATOM 1003 CA ARG A 67 7.831 1.810 -7.929 1.00 0.00 C ATOM 1004 C ARG A 67 8.074 2.709 -6.714 1.00 0.00 C ATOM 1005 O ARG A 67 9.152 2.723 -6.154 1.00 0.00 O ATOM 1006 CB ARG A 67 8.099 2.599 -9.211 1.00 0.00 C ATOM 1007 CG ARG A 67 7.904 1.685 -10.418 1.00 0.00 C ATOM 1008 CD ARG A 67 9.139 0.799 -10.614 1.00 0.00 C ATOM 1009 NE ARG A 67 9.041 0.097 -11.925 1.00 0.00 N ATOM 1010 CZ ARG A 67 10.070 -0.550 -12.397 1.00 0.00 C ATOM 1011 NH1 ARG A 67 9.983 -1.162 -13.547 1.00 0.00 N ATOM 1012 NH2 ARG A 67 11.186 -0.585 -11.722 1.00 0.00 N ATOM 0 H ARG A 67 5.877 1.568 -8.757 1.00 0.00 H new ATOM 0 HA ARG A 67 8.504 0.954 -7.880 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.424 3.452 -9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.114 2.996 -9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.020 1.063 -10.274 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.731 2.283 -11.312 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.044 1.405 -10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.211 0.073 -9.804 1.00 0.00 H new ATOM 0 HE ARG A 67 8.169 0.123 -12.453 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.111 -1.134 -14.075 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.787 -1.668 -13.917 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.254 -0.106 -10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.990 -1.091 -12.092 1.00 0.00 H new ATOM 1026 N SER A 68 7.091 3.461 -6.300 1.00 0.00 N ATOM 1027 CA SER A 68 7.289 4.352 -5.118 1.00 0.00 C ATOM 1028 C SER A 68 5.988 4.455 -4.315 1.00 0.00 C ATOM 1029 O SER A 68 4.904 4.346 -4.854 1.00 0.00 O ATOM 1030 CB SER A 68 7.701 5.744 -5.597 1.00 0.00 C ATOM 1031 OG SER A 68 6.605 6.354 -6.266 1.00 0.00 O ATOM 0 H SER A 68 6.164 3.498 -6.725 1.00 0.00 H new ATOM 0 HA SER A 68 8.069 3.934 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.011 6.356 -4.750 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.557 5.672 -6.268 1.00 0.00 H new ATOM 0 HG SER A 68 6.374 5.829 -7.061 1.00 0.00 H new ATOM 1037 N ILE A 69 6.091 4.671 -3.031 1.00 0.00 N ATOM 1038 CA ILE A 69 4.873 4.789 -2.187 1.00 0.00 C ATOM 1039 C ILE A 69 4.091 6.046 -2.576 1.00 0.00 C ATOM 1040 O ILE A 69 2.876 6.066 -2.559 1.00 0.00 O ATOM 1041 CB ILE A 69 5.297 4.893 -0.724 1.00 0.00 C ATOM 1042 CG1 ILE A 69 6.098 3.659 -0.330 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.062 4.977 0.154 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.714 3.866 1.055 1.00 0.00 C ATOM 0 H ILE A 69 6.974 4.771 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 69 4.240 3.914 -2.334 1.00 0.00 H new ATOM 0 HB ILE A 69 5.910 5.785 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.452 2.781 -0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.882 3.473 -1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.363 5.051 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.480 5.857 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.455 4.083 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.287 2.982 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.374 4.734 1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.921 4.031 1.785 1.00 0.00 H new ATOM 1056 N ARG A 70 4.783 7.102 -2.908 1.00 0.00 N ATOM 1057 CA ARG A 70 4.091 8.371 -3.278 1.00 0.00 C ATOM 1058 C ARG A 70 3.197 8.159 -4.503 1.00 0.00 C ATOM 1059 O ARG A 70 2.112 8.698 -4.586 1.00 0.00 O ATOM 1060 CB ARG A 70 5.140 9.438 -3.596 1.00 0.00 C ATOM 1061 CG ARG A 70 4.446 10.775 -3.862 1.00 0.00 C ATOM 1062 CD ARG A 70 5.498 11.850 -4.138 1.00 0.00 C ATOM 1063 NE ARG A 70 6.164 11.572 -5.442 1.00 0.00 N ATOM 1064 CZ ARG A 70 6.968 12.456 -5.966 1.00 0.00 C ATOM 1065 NH1 ARG A 70 7.551 12.212 -7.107 1.00 0.00 N ATOM 1066 NH2 ARG A 70 7.190 13.584 -5.347 1.00 0.00 N ATOM 0 H ARG A 70 5.802 7.141 -2.939 1.00 0.00 H new ATOM 0 HA ARG A 70 3.469 8.692 -2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.837 9.537 -2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.724 9.140 -4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.772 10.684 -4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.838 11.058 -3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.030 12.834 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.237 11.865 -3.336 1.00 0.00 H new ATOM 0 HE ARG A 70 5.991 10.690 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.378 11.330 -7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.180 12.903 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.735 13.774 -4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.818 14.275 -5.756 1.00 0.00 H new ATOM 1080 N SER A 71 3.640 7.392 -5.459 1.00 0.00 N ATOM 1081 CA SER A 71 2.809 7.169 -6.673 1.00 0.00 C ATOM 1082 C SER A 71 1.457 6.570 -6.277 1.00 0.00 C ATOM 1083 O SER A 71 0.424 6.955 -6.786 1.00 0.00 O ATOM 1084 CB SER A 71 3.539 6.206 -7.608 1.00 0.00 C ATOM 1085 OG SER A 71 4.847 6.701 -7.864 1.00 0.00 O ATOM 0 H SER A 71 4.539 6.911 -5.452 1.00 0.00 H new ATOM 0 HA SER A 71 2.642 8.120 -7.178 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.594 5.215 -7.157 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.988 6.101 -8.543 1.00 0.00 H new ATOM 0 HG SER A 71 5.263 6.978 -7.021 1.00 0.00 H new ATOM 1091 N ILE A 72 1.455 5.631 -5.371 1.00 0.00 N ATOM 1092 CA ILE A 72 0.177 5.010 -4.942 1.00 0.00 C ATOM 1093 C ILE A 72 -0.670 6.030 -4.177 1.00 0.00 C ATOM 1094 O ILE A 72 -1.876 6.077 -4.313 1.00 0.00 O ATOM 1095 CB ILE A 72 0.489 3.822 -4.035 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.344 2.808 -4.800 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -0.814 3.163 -3.600 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.769 1.683 -3.854 1.00 0.00 C ATOM 0 H ILE A 72 2.289 5.268 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.380 4.676 -5.817 1.00 0.00 H new ATOM 0 HB ILE A 72 1.034 4.166 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.780 2.399 -5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.223 3.299 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.594 2.314 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.424 3.885 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.358 2.817 -4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.378 0.961 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.349 2.100 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.883 1.186 -3.458 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.047 6.836 -3.362 1.00 0.00 N ATOM 1111 CA ASP A 73 -0.813 7.844 -2.573 1.00 0.00 C ATOM 1112 C ASP A 73 -1.578 8.785 -3.506 1.00 0.00 C ATOM 1113 O ASP A 73 -2.709 9.143 -3.245 1.00 0.00 O ATOM 1114 CB ASP A 73 0.159 8.665 -1.723 1.00 0.00 C ATOM 1115 CG ASP A 73 -0.630 9.616 -0.823 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -0.012 10.476 -0.216 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -1.838 9.467 -0.752 1.00 0.00 O ATOM 0 H ASP A 73 0.961 6.841 -3.208 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.525 7.322 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.778 8.003 -1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.833 9.231 -2.366 1.00 0.00 H new ATOM 1122 N ALA A 74 -0.971 9.201 -4.582 1.00 0.00 N ATOM 1123 CA ALA A 74 -1.673 10.133 -5.511 1.00 0.00 C ATOM 1124 C ALA A 74 -2.866 9.433 -6.159 1.00 0.00 C ATOM 1125 O ALA A 74 -3.934 9.999 -6.281 1.00 0.00 O ATOM 1126 CB ALA A 74 -0.701 10.599 -6.597 1.00 0.00 C ATOM 0 H ALA A 74 -0.025 8.939 -4.858 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.032 10.993 -4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.214 11.280 -7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.142 11.113 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.338 9.736 -7.155 1.00 0.00 H new ATOM 1132 N PHE A 75 -2.698 8.212 -6.580 1.00 0.00 N ATOM 1133 CA PHE A 75 -3.834 7.495 -7.221 1.00 0.00 C ATOM 1134 C PHE A 75 -4.973 7.335 -6.214 1.00 0.00 C ATOM 1135 O PHE A 75 -6.118 7.626 -6.505 1.00 0.00 O ATOM 1136 CB PHE A 75 -3.373 6.117 -7.688 1.00 0.00 C ATOM 1137 CG PHE A 75 -4.494 5.447 -8.445 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.418 4.647 -7.764 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -4.610 5.627 -9.829 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.458 4.027 -8.465 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -5.650 5.007 -10.531 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.575 4.207 -9.849 1.00 0.00 C ATOM 0 H PHE A 75 -1.829 7.682 -6.509 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.184 8.070 -8.078 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.494 6.211 -8.325 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.082 5.508 -6.832 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.328 4.508 -6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.897 6.244 -10.355 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.171 3.409 -7.939 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.739 5.146 -11.598 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.378 3.729 -10.390 1.00 0.00 H new ATOM 1152 N VAL A 76 -4.672 6.875 -5.032 1.00 0.00 N ATOM 1153 CA VAL A 76 -5.734 6.696 -4.013 1.00 0.00 C ATOM 1154 C VAL A 76 -6.312 8.058 -3.623 1.00 0.00 C ATOM 1155 O VAL A 76 -7.510 8.233 -3.560 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.132 6.017 -2.784 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.158 6.009 -1.657 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.752 4.576 -3.133 1.00 0.00 C ATOM 0 H VAL A 76 -3.733 6.616 -4.730 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.534 6.077 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.243 6.562 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.730 5.525 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.433 7.034 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.045 5.462 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.322 4.091 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.642 4.032 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.021 4.578 -3.942 1.00 0.00 H new ATOM 1168 N VAL A 77 -5.475 9.028 -3.370 1.00 0.00 N ATOM 1169 CA VAL A 77 -5.990 10.369 -2.991 1.00 0.00 C ATOM 1170 C VAL A 77 -6.871 10.914 -4.114 1.00 0.00 C ATOM 1171 O VAL A 77 -7.891 11.530 -3.876 1.00 0.00 O ATOM 1172 CB VAL A 77 -4.810 11.311 -2.763 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -5.319 12.747 -2.697 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -4.120 10.958 -1.445 1.00 0.00 C ATOM 0 H VAL A 77 -4.459 8.947 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.580 10.292 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.099 11.209 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.480 13.423 -2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.813 13.001 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.028 12.844 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.278 11.631 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.829 11.061 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.760 9.930 -1.487 1.00 0.00 H new ATOM 1184 N GLY A 78 -6.479 10.699 -5.337 1.00 0.00 N ATOM 1185 CA GLY A 78 -7.284 11.208 -6.479 1.00 0.00 C ATOM 1186 C GLY A 78 -8.707 10.647 -6.414 1.00 0.00 C ATOM 1187 O GLY A 78 -9.650 11.297 -6.821 1.00 0.00 O ATOM 0 H GLY A 78 -5.633 10.191 -5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.313 12.297 -6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.815 10.922 -7.420 1.00 0.00 H new ATOM 1191 N ALA A 79 -8.876 9.447 -5.920 1.00 0.00 N ATOM 1192 CA ALA A 79 -10.249 8.863 -5.855 1.00 0.00 C ATOM 1193 C ALA A 79 -10.776 8.893 -4.419 1.00 0.00 C ATOM 1194 O ALA A 79 -11.877 9.338 -4.162 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.206 7.415 -6.347 1.00 0.00 C ATOM 0 H ALA A 79 -8.130 8.851 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.913 9.453 -6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.207 6.985 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.848 7.391 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.533 6.836 -5.715 1.00 0.00 H new ATOM 1201 N THR A 80 -10.001 8.427 -3.482 1.00 0.00 N ATOM 1202 CA THR A 80 -10.461 8.434 -2.066 1.00 0.00 C ATOM 1203 C THR A 80 -9.250 8.359 -1.134 1.00 0.00 C ATOM 1204 O THR A 80 -8.239 7.780 -1.467 1.00 0.00 O ATOM 1205 CB THR A 80 -11.377 7.231 -1.820 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.069 7.407 -0.592 1.00 0.00 O ATOM 1207 CG2 THR A 80 -10.543 5.949 -1.760 1.00 0.00 C ATOM 0 H THR A 80 -9.069 8.042 -3.635 1.00 0.00 H new ATOM 0 HA THR A 80 -11.012 9.353 -1.867 1.00 0.00 H new ATOM 0 HB THR A 80 -12.096 7.152 -2.635 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.657 6.639 -0.435 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.199 5.096 -1.585 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.016 5.813 -2.704 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.820 6.023 -0.948 1.00 0.00 H new ATOM 1215 N THR A 81 -9.350 8.930 0.034 1.00 0.00 N ATOM 1216 CA THR A 81 -8.207 8.888 0.987 1.00 0.00 C ATOM 1217 C THR A 81 -8.689 8.320 2.327 1.00 0.00 C ATOM 1218 O THR A 81 -9.128 9.050 3.194 1.00 0.00 O ATOM 1219 CB THR A 81 -7.674 10.307 1.181 1.00 0.00 C ATOM 1220 OG1 THR A 81 -6.564 10.279 2.068 1.00 0.00 O ATOM 1221 CG2 THR A 81 -8.777 11.193 1.764 1.00 0.00 C ATOM 0 H THR A 81 -10.176 9.425 0.370 1.00 0.00 H new ATOM 0 HA THR A 81 -7.412 8.253 0.596 1.00 0.00 H new ATOM 0 HB THR A 81 -7.358 10.711 0.219 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.743 10.475 1.571 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.396 12.205 1.902 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.626 11.215 1.080 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.096 10.791 2.726 1.00 0.00 H new