USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 Single : A 2 THR OG1 : rot -4:sc= 0.84 USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.833 (180deg=-1.05) USER MOD Single : A 5 GLN :FLIP amide:sc= -5.09! C(o=-9.8!,f=-5.1!) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00955 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= -0.412 (180deg=-1.2) USER MOD Single : A 27 MET CE :methyl -131:sc= 0 (180deg=-0.249) USER MOD Single : A 28 GLN : amide:sc= -0.0417 K(o=-0.042,f=-1.1!) USER MOD Single : A 38 ASN :FLIP amide:sc= -1.34 F(o=-4.9!,f=-1.3) USER MOD Single : A 42 THR OG1 : rot -3:sc= -2.3! USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.979 X(o=-0.98,f=-1.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.74! USER MOD Single : A 71 GLN : amide:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.0036) USER MOD Single : A 85 SER OG : rot 36:sc= 1.57 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.901 -13.120 19.919 1.00 0.00 N ATOM 21 CA THR A 2 51.303 -12.750 19.738 1.00 0.00 C ATOM 22 C THR A 2 51.914 -13.531 18.585 1.00 0.00 C ATOM 23 O THR A 2 51.539 -14.678 18.341 1.00 0.00 O ATOM 24 CB THR A 2 52.103 -13.069 21.007 1.00 0.00 C ATOM 25 OG1 THR A 2 51.213 -13.463 22.042 1.00 0.00 O ATOM 26 CG2 THR A 2 52.890 -11.835 21.449 1.00 0.00 C ATOM 0 HA THR A 2 51.343 -11.681 19.526 1.00 0.00 H new ATOM 0 HB THR A 2 52.800 -13.881 20.798 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.289 -13.385 21.726 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.456 -12.068 22.351 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.577 -11.538 20.656 1.00 0.00 H new ATOM 0 HG23 THR A 2 52.199 -11.018 21.656 1.00 0.00 H new ATOM 34 N VAL A 3 52.892 -12.936 17.909 1.00 0.00 N ATOM 35 CA VAL A 3 53.566 -13.618 16.845 1.00 0.00 C ATOM 36 C VAL A 3 55.010 -13.263 16.892 1.00 0.00 C ATOM 37 O VAL A 3 55.381 -12.111 17.103 1.00 0.00 O ATOM 38 CB VAL A 3 53.025 -13.240 15.496 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.747 -14.011 15.253 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.775 -11.733 15.438 1.00 0.00 C ATOM 0 H VAL A 3 53.223 -11.988 18.089 1.00 0.00 H new ATOM 0 HA VAL A 3 53.411 -14.688 16.982 1.00 0.00 H new ATOM 0 HB VAL A 3 53.746 -13.489 14.718 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.343 -13.746 14.276 1.00 0.00 H new ATOM 0 HG12 VAL A 3 51.956 -15.080 15.281 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.020 -13.763 16.026 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.383 -11.467 14.456 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.053 -11.454 16.205 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.711 -11.202 15.611 1.00 0.00 H new ATOM 50 N LYS A 4 55.814 -14.260 16.699 1.00 0.00 N ATOM 51 CA LYS A 4 57.221 -14.074 16.721 1.00 0.00 C ATOM 52 C LYS A 4 57.891 -15.088 15.842 1.00 0.00 C ATOM 53 O LYS A 4 57.506 -16.256 15.797 1.00 0.00 O ATOM 54 CB LYS A 4 57.733 -14.181 18.137 1.00 0.00 C ATOM 55 CG LYS A 4 57.227 -15.484 18.788 1.00 0.00 C ATOM 56 CD LYS A 4 56.140 -15.186 19.844 1.00 0.00 C ATOM 57 CE LYS A 4 54.744 -15.117 19.195 1.00 0.00 C ATOM 58 NZ LYS A 4 53.784 -15.908 20.017 1.00 0.00 N ATOM 0 H LYS A 4 55.512 -15.218 16.523 1.00 0.00 H new ATOM 0 HA LYS A 4 57.454 -13.080 16.340 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.823 -14.164 18.140 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.399 -13.322 18.718 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.823 -16.145 18.021 1.00 0.00 H new ATOM 0 HG3 LYS A 4 58.060 -16.009 19.256 1.00 0.00 H new ATOM 0 HD2 LYS A 4 56.151 -15.961 20.611 1.00 0.00 H new ATOM 0 HD3 LYS A 4 56.361 -14.242 20.342 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.413 -14.081 19.124 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.782 -15.510 18.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 52.811 -15.692 19.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.969 -16.923 19.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 53.901 -15.662 21.021 1.00 0.00 H new ATOM 72 N GLN A 5 58.869 -14.614 15.114 1.00 0.00 N ATOM 73 CA GLN A 5 59.575 -15.456 14.184 1.00 0.00 C ATOM 74 C GLN A 5 61.037 -15.065 14.089 1.00 0.00 C ATOM 75 O GLN A 5 61.420 -13.932 14.357 1.00 0.00 O ATOM 76 CB GLN A 5 58.924 -15.321 12.823 1.00 0.00 C ATOM 77 CG GLN A 5 57.403 -15.276 12.984 1.00 0.00 C ATOM 78 CD GLN A 5 56.744 -15.281 11.608 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.170 -14.451 10.691 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 55.821 -16.057 11.361 1.00 0.00 N flip ATOM 0 H GLN A 5 59.195 -13.648 15.148 1.00 0.00 H new ATOM 0 HA GLN A 5 59.526 -16.488 14.533 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.275 -14.415 12.329 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.208 -16.160 12.188 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.063 -16.133 13.565 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.111 -14.382 13.535 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.492 -16.703 12.079 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.386 -16.054 10.439 1.00 0.00 H new ATOM 89 N THR A 6 61.841 -16.026 13.710 1.00 0.00 N ATOM 90 CA THR A 6 63.255 -15.831 13.565 1.00 0.00 C ATOM 91 C THR A 6 63.634 -15.834 12.091 1.00 0.00 C ATOM 92 O THR A 6 63.635 -16.882 11.445 1.00 0.00 O ATOM 93 CB THR A 6 63.981 -16.955 14.294 1.00 0.00 C ATOM 94 OG1 THR A 6 63.267 -17.289 15.476 1.00 0.00 O ATOM 95 CG2 THR A 6 65.377 -16.493 14.657 1.00 0.00 C ATOM 0 H THR A 6 61.527 -16.972 13.493 1.00 0.00 H new ATOM 0 HA THR A 6 63.541 -14.870 13.992 1.00 0.00 H new ATOM 0 HB THR A 6 64.043 -17.832 13.650 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.732 -18.013 15.945 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.901 -17.294 15.179 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.922 -16.234 13.749 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.314 -15.618 15.304 1.00 0.00 H new ATOM 103 N VAL A 7 63.945 -14.657 11.559 1.00 0.00 N ATOM 104 CA VAL A 7 64.311 -14.553 10.147 1.00 0.00 C ATOM 105 C VAL A 7 65.828 -14.485 9.969 1.00 0.00 C ATOM 106 O VAL A 7 66.475 -13.541 10.421 1.00 0.00 O ATOM 107 CB VAL A 7 63.669 -13.298 9.528 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.413 -13.512 8.025 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.342 -13.000 10.234 1.00 0.00 C ATOM 0 H VAL A 7 63.952 -13.775 12.071 1.00 0.00 H new ATOM 0 HA VAL A 7 63.943 -15.446 9.641 1.00 0.00 H new ATOM 0 HB VAL A 7 64.350 -12.457 9.654 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.959 -12.616 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.358 -13.713 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.741 -14.359 7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 7 61.888 -12.111 9.795 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.668 -13.848 10.115 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.525 -12.828 11.295 1.00 0.00 H new ATOM 119 N GLU A 8 66.388 -15.474 9.278 1.00 0.00 N ATOM 120 CA GLU A 8 67.823 -15.484 9.020 1.00 0.00 C ATOM 121 C GLU A 8 68.135 -14.420 7.978 1.00 0.00 C ATOM 122 O GLU A 8 67.437 -14.323 6.968 1.00 0.00 O ATOM 123 CB GLU A 8 68.260 -16.858 8.508 1.00 0.00 C ATOM 124 CG GLU A 8 67.941 -17.922 9.560 1.00 0.00 C ATOM 125 CD GLU A 8 68.068 -19.314 8.951 1.00 0.00 C ATOM 126 OE1 GLU A 8 69.015 -19.532 8.213 1.00 0.00 O ATOM 127 OE2 GLU A 8 67.216 -20.141 9.231 1.00 0.00 O ATOM 0 H GLU A 8 65.878 -16.268 8.892 1.00 0.00 H new ATOM 0 HA GLU A 8 68.364 -15.274 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.747 -17.090 7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.328 -16.854 8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.621 -17.823 10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.931 -17.775 9.943 1.00 0.00 H new ATOM 134 N ILE A 9 69.155 -13.599 8.221 1.00 0.00 N ATOM 135 CA ILE A 9 69.474 -12.539 7.269 1.00 0.00 C ATOM 136 C ILE A 9 70.612 -12.916 6.350 1.00 0.00 C ATOM 137 O ILE A 9 71.650 -13.415 6.785 1.00 0.00 O ATOM 138 CB ILE A 9 69.886 -11.232 7.969 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.507 -11.256 9.461 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.232 -10.037 7.254 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.352 -10.304 9.739 1.00 0.00 C ATOM 0 H ILE A 9 69.758 -13.644 9.043 1.00 0.00 H new ATOM 0 HA ILE A 9 68.556 -12.395 6.699 1.00 0.00 H new ATOM 0 HB ILE A 9 70.970 -11.130 7.912 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.229 -12.268 9.754 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.370 -10.975 10.065 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.524 -9.112 7.750 1.00 0.00 H new ATOM 0 HG22 ILE A 9 69.560 -10.011 6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.148 -10.141 7.289 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.101 -10.337 10.799 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.643 -9.290 9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.484 -10.603 9.151 1.00 0.00 H new ATOM 311 N ALA A 20 61.983 -0.158 9.638 1.00 0.00 N ATOM 312 CA ALA A 20 61.632 0.759 10.729 1.00 0.00 C ATOM 313 C ALA A 20 60.749 1.827 10.182 1.00 0.00 C ATOM 314 O ALA A 20 60.121 2.602 10.889 1.00 0.00 O ATOM 315 CB ALA A 20 62.888 1.463 11.262 1.00 0.00 C ATOM 0 HA ALA A 20 61.150 0.187 11.522 1.00 0.00 H new ATOM 0 HB1 ALA A 20 62.611 2.139 12.070 1.00 0.00 H new ATOM 0 HB2 ALA A 20 63.591 0.719 11.637 1.00 0.00 H new ATOM 0 HB3 ALA A 20 63.356 2.031 10.458 1.00 0.00 H new ATOM 321 N MET A 21 60.805 1.902 8.901 1.00 0.00 N ATOM 322 CA MET A 21 60.120 2.907 8.176 1.00 0.00 C ATOM 323 C MET A 21 58.725 2.447 7.771 1.00 0.00 C ATOM 324 O MET A 21 57.783 3.236 7.804 1.00 0.00 O ATOM 325 CB MET A 21 61.058 3.237 7.039 1.00 0.00 C ATOM 326 CG MET A 21 62.506 3.025 7.585 1.00 0.00 C ATOM 327 SD MET A 21 63.639 4.091 6.665 1.00 0.00 S ATOM 328 CE MET A 21 63.476 5.555 7.717 1.00 0.00 C ATOM 0 H MET A 21 61.337 1.255 8.319 1.00 0.00 H new ATOM 0 HA MET A 21 59.905 3.808 8.751 1.00 0.00 H new ATOM 0 HB2 MET A 21 60.869 2.593 6.180 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.916 4.265 6.704 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.546 3.261 8.648 1.00 0.00 H new ATOM 0 HG3 MET A 21 62.800 1.981 7.478 1.00 0.00 H new ATOM 0 HE1 MET A 21 64.104 6.356 7.326 1.00 0.00 H new ATOM 0 HE2 MET A 21 62.436 5.882 7.727 1.00 0.00 H new ATOM 0 HE3 MET A 21 63.790 5.310 8.732 1.00 0.00 H new ATOM 338 N LYS A 22 58.569 1.164 7.441 1.00 0.00 N ATOM 339 CA LYS A 22 57.237 0.659 7.104 1.00 0.00 C ATOM 340 C LYS A 22 56.518 0.178 8.372 1.00 0.00 C ATOM 341 O LYS A 22 55.465 0.699 8.715 1.00 0.00 O ATOM 342 CB LYS A 22 57.309 -0.463 6.064 1.00 0.00 C ATOM 343 CG LYS A 22 58.563 -1.296 6.281 1.00 0.00 C ATOM 344 CD LYS A 22 58.390 -2.667 5.624 1.00 0.00 C ATOM 345 CE LYS A 22 58.136 -2.489 4.126 1.00 0.00 C ATOM 346 NZ LYS A 22 59.094 -1.489 3.575 1.00 0.00 N ATOM 0 H LYS A 22 59.320 0.475 7.400 1.00 0.00 H new ATOM 0 HA LYS A 22 56.667 1.477 6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 22 56.425 -1.096 6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 22 57.314 -0.039 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.428 -0.786 5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.753 -1.414 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 22 59.282 -3.273 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.557 -3.199 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 22 58.253 -3.442 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 22 57.111 -2.158 3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 59.190 -1.629 2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 58.740 -0.529 3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 60.022 -1.610 4.029 1.00 0.00 H new ATOM 360 N LEU A 23 57.112 -0.781 9.091 1.00 0.00 N ATOM 361 CA LEU A 23 56.539 -1.284 10.332 1.00 0.00 C ATOM 362 C LEU A 23 55.939 -0.142 11.125 1.00 0.00 C ATOM 363 O LEU A 23 54.809 -0.210 11.594 1.00 0.00 O ATOM 364 CB LEU A 23 57.659 -1.889 11.181 1.00 0.00 C ATOM 365 CG LEU A 23 57.857 -3.381 10.893 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.839 -3.582 9.729 1.00 0.00 C ATOM 367 CD2 LEU A 23 58.427 -4.026 12.155 1.00 0.00 C ATOM 0 H LEU A 23 57.993 -1.222 8.828 1.00 0.00 H new ATOM 0 HA LEU A 23 55.774 -2.023 10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 23 58.590 -1.356 10.986 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.428 -1.751 12.237 1.00 0.00 H new ATOM 0 HG LEU A 23 56.905 -3.834 10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.966 -4.648 9.540 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.446 -3.099 8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.802 -3.142 9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 23 58.580 -5.091 11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.380 -3.559 12.404 1.00 0.00 H new ATOM 0 HD23 LEU A 23 57.729 -3.889 12.981 1.00 0.00 H new ATOM 379 N PHE A 24 56.754 0.882 11.299 1.00 0.00 N ATOM 380 CA PHE A 24 56.383 2.046 12.076 1.00 0.00 C ATOM 381 C PHE A 24 55.245 2.823 11.413 1.00 0.00 C ATOM 382 O PHE A 24 54.152 2.960 11.974 1.00 0.00 O ATOM 383 CB PHE A 24 57.619 2.929 12.207 1.00 0.00 C ATOM 384 CG PHE A 24 58.781 2.157 12.832 1.00 0.00 C ATOM 385 CD1 PHE A 24 58.730 0.759 13.026 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.935 2.856 13.209 1.00 0.00 C ATOM 387 CE1 PHE A 24 59.817 0.095 13.592 1.00 0.00 C ATOM 388 CE2 PHE A 24 61.017 2.183 13.772 1.00 0.00 C ATOM 389 CZ PHE A 24 60.959 0.806 13.965 1.00 0.00 C ATOM 0 H PHE A 24 57.693 0.928 10.904 1.00 0.00 H new ATOM 0 HA PHE A 24 56.025 1.732 13.056 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.911 3.300 11.224 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.385 3.800 12.820 1.00 0.00 H new ATOM 0 HD1 PHE A 24 57.849 0.205 12.736 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.986 3.925 13.062 1.00 0.00 H new ATOM 0 HE1 PHE A 24 59.776 -0.974 13.743 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.902 2.731 14.059 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.798 0.287 14.404 1.00 0.00 H new ATOM 399 N GLU A 25 55.492 3.314 10.211 1.00 0.00 N ATOM 400 CA GLU A 25 54.465 4.054 9.494 1.00 0.00 C ATOM 401 C GLU A 25 53.309 3.125 9.181 1.00 0.00 C ATOM 402 O GLU A 25 52.156 3.548 9.100 1.00 0.00 O ATOM 403 CB GLU A 25 55.033 4.633 8.199 1.00 0.00 C ATOM 404 CG GLU A 25 55.897 5.855 8.519 1.00 0.00 C ATOM 405 CD GLU A 25 56.976 5.482 9.530 1.00 0.00 C ATOM 406 OE1 GLU A 25 56.678 5.492 10.714 1.00 0.00 O ATOM 407 OE2 GLU A 25 58.083 5.194 9.107 1.00 0.00 O ATOM 0 H GLU A 25 56.379 3.217 9.716 1.00 0.00 H new ATOM 0 HA GLU A 25 54.116 4.878 10.116 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.628 3.880 7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.222 4.914 7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.358 6.234 7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 25 55.275 6.656 8.918 1.00 0.00 H new ATOM 414 N LEU A 26 53.630 1.850 9.031 1.00 0.00 N ATOM 415 CA LEU A 26 52.621 0.850 8.755 1.00 0.00 C ATOM 416 C LEU A 26 52.002 0.407 10.071 1.00 0.00 C ATOM 417 O LEU A 26 50.840 0.013 10.125 1.00 0.00 O ATOM 418 CB LEU A 26 53.247 -0.336 8.009 1.00 0.00 C ATOM 419 CG LEU A 26 52.183 -1.348 7.589 1.00 0.00 C ATOM 420 CD1 LEU A 26 51.884 -2.271 8.761 1.00 0.00 C ATOM 421 CD2 LEU A 26 50.896 -0.641 7.149 1.00 0.00 C ATOM 0 H LEU A 26 54.581 1.487 9.096 1.00 0.00 H new ATOM 0 HA LEU A 26 51.841 1.267 8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.778 0.024 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 26 53.984 -0.823 8.648 1.00 0.00 H new ATOM 0 HG LEU A 26 52.561 -1.924 6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 26 51.125 -2.996 8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 26 52.794 -2.796 9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 26 51.519 -1.683 9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.155 -1.384 6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.506 -0.047 7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.111 0.012 6.303 1.00 0.00 H new ATOM 433 N MET A 27 52.779 0.513 11.144 1.00 0.00 N ATOM 434 CA MET A 27 52.271 0.163 12.461 1.00 0.00 C ATOM 435 C MET A 27 51.007 0.972 12.652 1.00 0.00 C ATOM 436 O MET A 27 50.053 0.536 13.294 1.00 0.00 O ATOM 437 CB MET A 27 53.283 0.512 13.570 1.00 0.00 C ATOM 438 CG MET A 27 54.061 -0.737 14.031 1.00 0.00 C ATOM 439 SD MET A 27 53.920 -0.905 15.828 1.00 0.00 S ATOM 440 CE MET A 27 55.081 0.410 16.273 1.00 0.00 C ATOM 0 H MET A 27 53.747 0.833 11.127 1.00 0.00 H new ATOM 0 HA MET A 27 52.089 -0.910 12.525 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.982 1.264 13.204 1.00 0.00 H new ATOM 0 HB3 MET A 27 52.759 0.951 14.419 1.00 0.00 H new ATOM 0 HG2 MET A 27 53.667 -1.626 13.540 1.00 0.00 H new ATOM 0 HG3 MET A 27 55.109 -0.653 13.744 1.00 0.00 H new ATOM 0 HE1 MET A 27 55.788 0.036 17.013 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.623 0.733 15.384 1.00 0.00 H new ATOM 0 HE3 MET A 27 54.532 1.254 16.690 1.00 0.00 H new ATOM 450 N GLN A 28 51.001 2.157 12.040 1.00 0.00 N ATOM 451 CA GLN A 28 49.831 3.011 12.106 1.00 0.00 C ATOM 452 C GLN A 28 48.693 2.300 11.389 1.00 0.00 C ATOM 453 O GLN A 28 47.528 2.678 11.503 1.00 0.00 O ATOM 454 CB GLN A 28 50.112 4.357 11.433 1.00 0.00 C ATOM 455 CG GLN A 28 51.347 4.999 12.068 1.00 0.00 C ATOM 456 CD GLN A 28 51.760 6.233 11.272 1.00 0.00 C ATOM 457 OE1 GLN A 28 51.011 6.698 10.413 1.00 0.00 O ATOM 458 NE2 GLN A 28 52.914 6.793 11.508 1.00 0.00 N ATOM 0 H GLN A 28 51.782 2.536 11.504 1.00 0.00 H new ATOM 0 HA GLN A 28 49.567 3.204 13.146 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.272 4.214 10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 28 49.251 5.016 11.541 1.00 0.00 H new ATOM 0 HG2 GLN A 28 51.133 5.277 13.100 1.00 0.00 H new ATOM 0 HG3 GLN A 28 52.167 4.282 12.094 1.00 0.00 H new ATOM 0 HE21 GLN A 28 53.533 6.406 12.220 1.00 0.00 H new ATOM 0 HE22 GLN A 28 53.198 7.618 10.980 1.00 0.00 H new ATOM 467 N GLY A 29 49.059 1.242 10.663 1.00 0.00 N ATOM 468 CA GLY A 29 48.082 0.435 9.932 1.00 0.00 C ATOM 469 C GLY A 29 47.731 -0.809 10.738 1.00 0.00 C ATOM 470 O GLY A 29 46.561 -1.171 10.865 1.00 0.00 O ATOM 0 H GLY A 29 50.024 0.925 10.566 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.183 1.021 9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 29 48.487 0.148 8.962 1.00 0.00 H new ATOM 474 N PHE A 30 48.754 -1.437 11.314 1.00 0.00 N ATOM 475 CA PHE A 30 48.548 -2.617 12.150 1.00 0.00 C ATOM 476 C PHE A 30 48.745 -2.225 13.605 1.00 0.00 C ATOM 477 O PHE A 30 49.728 -1.571 13.945 1.00 0.00 O ATOM 478 CB PHE A 30 49.554 -3.730 11.847 1.00 0.00 C ATOM 479 CG PHE A 30 49.558 -4.152 10.393 1.00 0.00 C ATOM 480 CD1 PHE A 30 50.770 -4.526 9.828 1.00 0.00 C ATOM 481 CD2 PHE A 30 48.387 -4.220 9.629 1.00 0.00 C ATOM 482 CE1 PHE A 30 50.844 -4.963 8.508 1.00 0.00 C ATOM 483 CE2 PHE A 30 48.456 -4.650 8.295 1.00 0.00 C ATOM 484 CZ PHE A 30 49.689 -5.022 7.734 1.00 0.00 C ATOM 0 H PHE A 30 49.728 -1.150 11.218 1.00 0.00 H new ATOM 0 HA PHE A 30 47.542 -2.984 11.947 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.553 -3.393 12.123 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.326 -4.596 12.469 1.00 0.00 H new ATOM 0 HD1 PHE A 30 51.670 -4.477 10.422 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.437 -3.944 10.063 1.00 0.00 H new ATOM 0 HE1 PHE A 30 51.794 -5.255 8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.558 -4.695 7.697 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.740 -5.352 6.707 1.00 0.00 H new ATOM 494 N ASP A 31 47.848 -2.662 14.473 1.00 0.00 N ATOM 495 CA ASP A 31 47.995 -2.376 15.879 1.00 0.00 C ATOM 496 C ASP A 31 48.739 -3.540 16.469 1.00 0.00 C ATOM 497 O ASP A 31 48.169 -4.610 16.679 1.00 0.00 O ATOM 498 CB ASP A 31 46.632 -2.210 16.547 1.00 0.00 C ATOM 499 CG ASP A 31 46.810 -1.931 18.035 1.00 0.00 C ATOM 500 OD1 ASP A 31 45.822 -1.981 18.749 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.932 -1.671 18.438 1.00 0.00 O ATOM 0 H ASP A 31 47.023 -3.209 14.228 1.00 0.00 H new ATOM 0 HA ASP A 31 48.535 -1.442 16.035 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.086 -1.392 16.078 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.037 -3.112 16.407 1.00 0.00 H new ATOM 506 N ALA A 32 50.026 -3.352 16.682 1.00 0.00 N ATOM 507 CA ALA A 32 50.833 -4.412 17.183 1.00 0.00 C ATOM 508 C ALA A 32 52.205 -3.894 17.506 1.00 0.00 C ATOM 509 O ALA A 32 52.697 -2.957 16.882 1.00 0.00 O ATOM 510 CB ALA A 32 50.931 -5.506 16.140 1.00 0.00 C ATOM 0 H ALA A 32 50.520 -2.476 16.513 1.00 0.00 H new ATOM 0 HA ALA A 32 50.381 -4.815 18.089 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.549 -6.319 16.522 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.934 -5.884 15.914 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.381 -5.104 15.232 1.00 0.00 H new ATOM 516 N GLU A 33 52.810 -4.503 18.488 1.00 0.00 N ATOM 517 CA GLU A 33 54.119 -4.109 18.915 1.00 0.00 C ATOM 518 C GLU A 33 55.143 -5.084 18.392 1.00 0.00 C ATOM 519 O GLU A 33 55.457 -6.091 19.025 1.00 0.00 O ATOM 520 CB GLU A 33 54.114 -4.080 20.418 1.00 0.00 C ATOM 521 CG GLU A 33 54.731 -2.774 20.894 1.00 0.00 C ATOM 522 CD GLU A 33 54.915 -2.795 22.407 1.00 0.00 C ATOM 523 OE1 GLU A 33 53.922 -2.924 23.104 1.00 0.00 O ATOM 524 OE2 GLU A 33 56.047 -2.680 22.848 1.00 0.00 O ATOM 0 H GLU A 33 52.410 -5.282 19.011 1.00 0.00 H new ATOM 0 HA GLU A 33 54.379 -3.124 18.528 1.00 0.00 H new ATOM 0 HB2 GLU A 33 53.094 -4.172 20.792 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.676 -4.927 20.812 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.693 -2.620 20.406 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.092 -1.938 20.610 1.00 0.00 H new ATOM 531 N VAL A 34 55.642 -4.771 17.221 1.00 0.00 N ATOM 532 CA VAL A 34 56.628 -5.627 16.575 1.00 0.00 C ATOM 533 C VAL A 34 57.999 -5.421 17.192 1.00 0.00 C ATOM 534 O VAL A 34 58.561 -4.331 17.108 1.00 0.00 O ATOM 535 CB VAL A 34 56.741 -5.314 15.073 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.043 -6.598 14.278 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.448 -4.667 14.564 1.00 0.00 C ATOM 0 H VAL A 34 55.389 -3.937 16.692 1.00 0.00 H new ATOM 0 HA VAL A 34 56.295 -6.655 16.715 1.00 0.00 H new ATOM 0 HB VAL A 34 57.563 -4.613 14.927 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.120 -6.360 13.217 1.00 0.00 H new ATOM 0 HG12 VAL A 34 57.984 -7.027 14.623 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.239 -7.318 14.431 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.543 -4.451 13.500 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.613 -5.349 14.723 1.00 0.00 H new ATOM 0 HG23 VAL A 34 55.267 -3.740 15.107 1.00 0.00 H new ATOM 547 N LEU A 35 58.551 -6.468 17.793 1.00 0.00 N ATOM 548 CA LEU A 35 59.872 -6.351 18.384 1.00 0.00 C ATOM 549 C LEU A 35 60.902 -7.086 17.527 1.00 0.00 C ATOM 550 O LEU A 35 60.701 -8.237 17.139 1.00 0.00 O ATOM 551 CB LEU A 35 59.878 -6.903 19.808 1.00 0.00 C ATOM 552 CG LEU A 35 61.324 -7.008 20.316 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.320 -7.023 21.845 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.988 -8.294 19.785 1.00 0.00 C ATOM 0 H LEU A 35 58.115 -7.386 17.882 1.00 0.00 H new ATOM 0 HA LEU A 35 60.137 -5.295 18.425 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.298 -6.252 20.463 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.402 -7.883 19.830 1.00 0.00 H new ATOM 0 HG LEU A 35 61.892 -6.150 19.957 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.344 -7.097 22.211 1.00 0.00 H new ATOM 0 HD12 LEU A 35 60.868 -6.103 22.217 1.00 0.00 H new ATOM 0 HD13 LEU A 35 60.745 -7.879 22.199 1.00 0.00 H new ATOM 0 HD21 LEU A 35 63.012 -8.354 20.154 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.427 -9.162 20.130 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.995 -8.276 18.695 1.00 0.00 H new ATOM 566 N LEU A 36 61.991 -6.393 17.217 1.00 0.00 N ATOM 567 CA LEU A 36 63.057 -6.940 16.380 1.00 0.00 C ATOM 568 C LEU A 36 64.332 -7.203 17.186 1.00 0.00 C ATOM 569 O LEU A 36 64.863 -6.295 17.809 1.00 0.00 O ATOM 570 CB LEU A 36 63.376 -5.911 15.304 1.00 0.00 C ATOM 571 CG LEU A 36 62.387 -6.031 14.142 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.950 -6.072 14.672 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.544 -4.816 13.233 1.00 0.00 C ATOM 0 H LEU A 36 62.162 -5.439 17.536 1.00 0.00 H new ATOM 0 HA LEU A 36 62.720 -7.886 15.957 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.330 -4.907 15.727 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.393 -6.058 14.941 1.00 0.00 H new ATOM 0 HG LEU A 36 62.591 -6.949 13.591 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.256 -6.157 13.836 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.830 -6.931 15.332 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.740 -5.157 15.226 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.844 -4.891 12.401 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.338 -3.908 13.800 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.563 -4.779 12.847 1.00 0.00 H new ATOM 585 N ARG A 37 64.833 -8.438 17.160 1.00 0.00 N ATOM 586 CA ARG A 37 66.048 -8.768 17.878 1.00 0.00 C ATOM 587 C ARG A 37 66.846 -9.831 17.160 1.00 0.00 C ATOM 588 O ARG A 37 66.314 -10.571 16.343 1.00 0.00 O ATOM 589 CB ARG A 37 65.722 -9.283 19.262 1.00 0.00 C ATOM 590 CG ARG A 37 65.083 -10.675 19.174 1.00 0.00 C ATOM 591 CD ARG A 37 66.084 -11.752 19.624 1.00 0.00 C ATOM 592 NE ARG A 37 65.385 -12.980 20.024 1.00 0.00 N ATOM 593 CZ ARG A 37 64.396 -12.984 20.916 1.00 0.00 C ATOM 594 NH1 ARG A 37 63.748 -14.090 21.160 1.00 0.00 N ATOM 595 NH2 ARG A 37 64.097 -11.900 21.578 1.00 0.00 N ATOM 0 H ARG A 37 64.414 -9.217 16.651 1.00 0.00 H new ATOM 0 HA ARG A 37 66.637 -7.853 17.940 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.630 -9.329 19.864 1.00 0.00 H new ATOM 0 HB3 ARG A 37 65.042 -8.594 19.763 1.00 0.00 H new ATOM 0 HG2 ARG A 37 64.191 -10.713 19.800 1.00 0.00 H new ATOM 0 HG3 ARG A 37 64.763 -10.871 18.151 1.00 0.00 H new ATOM 0 HD2 ARG A 37 66.778 -11.971 18.813 1.00 0.00 H new ATOM 0 HD3 ARG A 37 66.677 -11.378 20.458 1.00 0.00 H new ATOM 0 HE ARG A 37 65.668 -13.865 19.602 1.00 0.00 H new ATOM 0 HH11 ARG A 37 64.000 -14.948 20.668 1.00 0.00 H new ATOM 0 HH12 ARG A 37 62.990 -14.097 21.842 1.00 0.00 H new ATOM 0 HH21 ARG A 37 64.622 -11.041 21.414 1.00 0.00 H new ATOM 0 HH22 ARG A 37 63.338 -11.912 22.259 1.00 0.00 H new ATOM 609 N ASN A 38 68.114 -9.930 17.512 1.00 0.00 N ATOM 610 CA ASN A 38 68.976 -10.938 16.927 1.00 0.00 C ATOM 611 C ASN A 38 69.335 -11.964 17.974 1.00 0.00 C ATOM 612 O ASN A 38 69.655 -11.609 19.119 1.00 0.00 O ATOM 613 CB ASN A 38 70.281 -10.345 16.420 1.00 0.00 C ATOM 614 CG ASN A 38 70.061 -9.328 15.326 1.00 0.00 C ATOM 615 OD1 ASN A 38 70.456 -8.108 15.529 1.00 0.00 O flip ATOM 616 ND2 ASN A 38 69.542 -9.651 14.258 1.00 0.00 N flip ATOM 0 H ASN A 38 68.568 -9.327 18.198 1.00 0.00 H new ATOM 0 HA ASN A 38 68.429 -11.380 16.094 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.810 -9.875 17.249 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.920 -11.145 16.046 1.00 0.00 H new ATOM 0 HD21 ASN A 38 69.236 -10.613 14.110 1.00 0.00 H new ATOM 0 HD22 ASN A 38 69.418 -8.957 13.521 1.00 0.00 H new ATOM 623 N ASP A 39 69.323 -13.227 17.568 1.00 0.00 N ATOM 624 CA ASP A 39 69.686 -14.311 18.480 1.00 0.00 C ATOM 625 C ASP A 39 70.983 -13.955 19.195 1.00 0.00 C ATOM 626 O ASP A 39 71.424 -14.652 20.109 1.00 0.00 O ATOM 627 CB ASP A 39 69.867 -15.622 17.713 1.00 0.00 C ATOM 628 CG ASP A 39 70.138 -16.762 18.690 1.00 0.00 C ATOM 629 OD1 ASP A 39 71.294 -16.968 19.023 1.00 0.00 O ATOM 630 OD2 ASP A 39 69.187 -17.412 19.089 1.00 0.00 O ATOM 0 H ASP A 39 69.070 -13.527 16.626 1.00 0.00 H new ATOM 0 HA ASP A 39 68.885 -14.442 19.208 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.973 -15.838 17.128 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.694 -15.530 17.009 1.00 0.00 H new ATOM 635 N GLU A 40 71.574 -12.849 18.764 1.00 0.00 N ATOM 636 CA GLU A 40 72.812 -12.354 19.337 1.00 0.00 C ATOM 637 C GLU A 40 72.551 -11.745 20.697 1.00 0.00 C ATOM 638 O GLU A 40 73.474 -11.464 21.461 1.00 0.00 O ATOM 639 CB GLU A 40 73.367 -11.267 18.411 1.00 0.00 C ATOM 640 CG GLU A 40 72.826 -9.889 18.785 1.00 0.00 C ATOM 641 CD GLU A 40 73.643 -9.286 19.929 1.00 0.00 C ATOM 642 OE1 GLU A 40 74.832 -9.553 19.987 1.00 0.00 O ATOM 643 OE2 GLU A 40 73.069 -8.566 20.727 1.00 0.00 O ATOM 0 H GLU A 40 71.207 -12.272 18.007 1.00 0.00 H new ATOM 0 HA GLU A 40 73.519 -13.176 19.444 1.00 0.00 H new ATOM 0 HB2 GLU A 40 74.456 -11.260 18.467 1.00 0.00 H new ATOM 0 HB3 GLU A 40 73.102 -11.496 17.379 1.00 0.00 H new ATOM 0 HG2 GLU A 40 72.862 -9.230 17.918 1.00 0.00 H new ATOM 0 HG3 GLU A 40 71.780 -9.970 19.081 1.00 0.00 H new ATOM 650 N GLY A 41 71.285 -11.490 20.957 1.00 0.00 N ATOM 651 CA GLY A 41 70.885 -10.849 22.188 1.00 0.00 C ATOM 652 C GLY A 41 70.527 -9.413 21.861 1.00 0.00 C ATOM 653 O GLY A 41 70.023 -8.673 22.705 1.00 0.00 O ATOM 0 H GLY A 41 70.515 -11.719 20.329 1.00 0.00 H new ATOM 0 HA2 GLY A 41 70.032 -11.365 22.629 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.693 -10.885 22.919 1.00 0.00 H new ATOM 657 N THR A 42 70.778 -9.035 20.602 1.00 0.00 N ATOM 658 CA THR A 42 70.453 -7.677 20.156 1.00 0.00 C ATOM 659 C THR A 42 68.944 -7.546 20.080 1.00 0.00 C ATOM 660 O THR A 42 68.290 -8.364 19.444 1.00 0.00 O ATOM 661 CB THR A 42 71.070 -7.384 18.781 1.00 0.00 C ATOM 662 OG1 THR A 42 72.466 -7.165 18.923 1.00 0.00 O ATOM 663 CG2 THR A 42 70.420 -6.144 18.170 1.00 0.00 C ATOM 0 H THR A 42 71.195 -9.634 19.890 1.00 0.00 H new ATOM 0 HA THR A 42 70.864 -6.959 20.866 1.00 0.00 H new ATOM 0 HB THR A 42 70.899 -8.238 18.125 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.709 -7.208 19.871 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.864 -5.944 17.195 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.350 -6.314 18.054 1.00 0.00 H new ATOM 0 HG23 THR A 42 70.582 -5.288 18.825 1.00 0.00 H new ATOM 671 N GLU A 43 68.389 -6.537 20.747 1.00 0.00 N ATOM 672 CA GLU A 43 66.936 -6.359 20.755 1.00 0.00 C ATOM 673 C GLU A 43 66.519 -4.977 20.277 1.00 0.00 C ATOM 674 O GLU A 43 67.050 -3.961 20.726 1.00 0.00 O ATOM 675 CB GLU A 43 66.395 -6.591 22.169 1.00 0.00 C ATOM 676 CG GLU A 43 67.157 -7.744 22.826 1.00 0.00 C ATOM 677 CD GLU A 43 66.383 -8.260 24.034 1.00 0.00 C ATOM 678 OE1 GLU A 43 67.016 -8.564 25.032 1.00 0.00 O ATOM 679 OE2 GLU A 43 65.170 -8.344 23.943 1.00 0.00 O ATOM 0 H GLU A 43 68.910 -5.841 21.280 1.00 0.00 H new ATOM 0 HA GLU A 43 66.517 -7.089 20.062 1.00 0.00 H new ATOM 0 HB2 GLU A 43 66.503 -5.684 22.764 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.330 -6.821 22.129 1.00 0.00 H new ATOM 0 HG2 GLU A 43 67.304 -8.550 22.107 1.00 0.00 H new ATOM 0 HG3 GLU A 43 68.147 -7.407 23.135 1.00 0.00 H new ATOM 686 N ALA A 44 65.552 -4.955 19.360 1.00 0.00 N ATOM 687 CA ALA A 44 65.050 -3.706 18.818 1.00 0.00 C ATOM 688 C ALA A 44 63.526 -3.663 18.831 1.00 0.00 C ATOM 689 O ALA A 44 62.868 -4.464 18.170 1.00 0.00 O ATOM 690 CB ALA A 44 65.520 -3.558 17.371 1.00 0.00 C ATOM 0 H ALA A 44 65.105 -5.790 18.981 1.00 0.00 H new ATOM 0 HA ALA A 44 65.431 -2.896 19.440 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.145 -2.621 16.961 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.610 -3.557 17.341 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.141 -4.391 16.778 1.00 0.00 H new ATOM 696 N GLU A 45 62.975 -2.691 19.540 1.00 0.00 N ATOM 697 CA GLU A 45 61.531 -2.516 19.578 1.00 0.00 C ATOM 698 C GLU A 45 61.127 -1.696 18.366 1.00 0.00 C ATOM 699 O GLU A 45 61.522 -0.539 18.255 1.00 0.00 O ATOM 700 CB GLU A 45 61.120 -1.770 20.850 1.00 0.00 C ATOM 701 CG GLU A 45 60.661 -2.767 21.914 1.00 0.00 C ATOM 702 CD GLU A 45 61.842 -3.605 22.391 1.00 0.00 C ATOM 703 OE1 GLU A 45 62.475 -4.231 21.556 1.00 0.00 O ATOM 704 OE2 GLU A 45 62.096 -3.610 23.584 1.00 0.00 O ATOM 0 H GLU A 45 63.501 -2.015 20.094 1.00 0.00 H new ATOM 0 HA GLU A 45 61.040 -3.489 19.571 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.959 -1.185 21.226 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.317 -1.068 20.627 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.219 -2.234 22.756 1.00 0.00 H new ATOM 0 HG3 GLU A 45 59.886 -3.416 21.505 1.00 0.00 H new ATOM 711 N ALA A 46 60.367 -2.299 17.452 1.00 0.00 N ATOM 712 CA ALA A 46 59.950 -1.600 16.238 1.00 0.00 C ATOM 713 C ALA A 46 60.040 -0.081 16.405 1.00 0.00 C ATOM 714 O ALA A 46 61.134 0.473 16.457 1.00 0.00 O ATOM 715 CB ALA A 46 58.520 -1.996 15.864 1.00 0.00 C ATOM 0 H ALA A 46 60.031 -3.259 17.528 1.00 0.00 H new ATOM 0 HA ALA A 46 60.629 -1.894 15.438 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.221 -1.468 14.958 1.00 0.00 H new ATOM 0 HB2 ALA A 46 58.474 -3.071 15.690 1.00 0.00 H new ATOM 0 HB3 ALA A 46 57.845 -1.731 16.677 1.00 0.00 H new ATOM 721 N ASN A 47 58.879 0.571 16.476 1.00 0.00 N ATOM 722 CA ASN A 47 58.788 2.030 16.629 1.00 0.00 C ATOM 723 C ASN A 47 60.148 2.730 16.577 1.00 0.00 C ATOM 724 O ASN A 47 60.314 3.725 15.870 1.00 0.00 O ATOM 725 CB ASN A 47 58.104 2.362 17.956 1.00 0.00 C ATOM 726 CG ASN A 47 58.014 3.874 18.133 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.366 4.555 17.338 1.00 0.00 O ATOM 728 ND2 ASN A 47 58.630 4.442 19.133 1.00 0.00 N ATOM 0 H ASN A 47 57.973 0.105 16.429 1.00 0.00 H new ATOM 0 HA ASN A 47 58.205 2.398 15.785 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.106 1.925 17.979 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.663 1.924 18.782 1.00 0.00 H new ATOM 0 HD21 ASN A 47 58.575 5.453 19.258 1.00 0.00 H new ATOM 0 HD22 ASN A 47 59.166 3.875 19.790 1.00 0.00 H new ATOM 735 N SER A 48 61.106 2.223 17.339 1.00 0.00 N ATOM 736 CA SER A 48 62.438 2.822 17.387 1.00 0.00 C ATOM 737 C SER A 48 63.259 2.492 16.137 1.00 0.00 C ATOM 738 O SER A 48 63.405 1.329 15.766 1.00 0.00 O ATOM 739 CB SER A 48 63.173 2.316 18.631 1.00 0.00 C ATOM 740 OG SER A 48 62.774 3.086 19.757 1.00 0.00 O ATOM 0 H SER A 48 60.990 1.401 17.932 1.00 0.00 H new ATOM 0 HA SER A 48 62.319 3.905 17.428 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.947 1.263 18.798 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.251 2.392 18.487 1.00 0.00 H new ATOM 0 HG SER A 48 63.241 2.764 20.556 1.00 0.00 H new ATOM 746 N VAL A 49 63.811 3.531 15.505 1.00 0.00 N ATOM 747 CA VAL A 49 64.644 3.347 14.314 1.00 0.00 C ATOM 748 C VAL A 49 66.042 2.938 14.744 1.00 0.00 C ATOM 749 O VAL A 49 66.680 2.099 14.108 1.00 0.00 O ATOM 750 CB VAL A 49 64.726 4.647 13.508 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.083 4.333 12.051 1.00 0.00 C ATOM 752 CG2 VAL A 49 63.378 5.372 13.559 1.00 0.00 C ATOM 0 H VAL A 49 63.697 4.502 15.796 1.00 0.00 H new ATOM 0 HA VAL A 49 64.199 2.573 13.688 1.00 0.00 H new ATOM 0 HB VAL A 49 65.497 5.286 13.939 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.140 5.261 11.482 1.00 0.00 H new ATOM 0 HG12 VAL A 49 66.047 3.825 12.014 1.00 0.00 H new ATOM 0 HG13 VAL A 49 64.317 3.689 11.619 1.00 0.00 H new ATOM 0 HG21 VAL A 49 63.440 6.296 12.985 1.00 0.00 H new ATOM 0 HG22 VAL A 49 62.604 4.732 13.134 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.129 5.604 14.594 1.00 0.00 H new ATOM 762 N ILE A 50 66.497 3.514 15.852 1.00 0.00 N ATOM 763 CA ILE A 50 67.789 3.190 16.390 1.00 0.00 C ATOM 764 C ILE A 50 67.855 1.684 16.501 1.00 0.00 C ATOM 765 O ILE A 50 68.876 1.051 16.232 1.00 0.00 O ATOM 766 CB ILE A 50 67.892 3.870 17.756 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.161 4.723 17.825 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.883 2.844 18.880 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.396 3.862 17.528 1.00 0.00 C ATOM 0 H ILE A 50 65.978 4.209 16.388 1.00 0.00 H new ATOM 0 HA ILE A 50 68.616 3.532 15.769 1.00 0.00 H new ATOM 0 HB ILE A 50 67.023 4.516 17.882 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.098 5.541 17.107 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.252 5.173 18.814 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.957 3.355 19.840 1.00 0.00 H new ATOM 0 HG22 ILE A 50 66.955 2.273 18.844 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.730 2.168 18.762 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.292 4.481 17.580 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.466 3.060 18.263 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.309 3.433 16.530 1.00 0.00 H new ATOM 781 N ALA A 51 66.713 1.133 16.872 1.00 0.00 N ATOM 782 CA ALA A 51 66.554 -0.289 16.997 1.00 0.00 C ATOM 783 C ALA A 51 67.019 -0.955 15.710 1.00 0.00 C ATOM 784 O ALA A 51 67.938 -1.769 15.718 1.00 0.00 O ATOM 785 CB ALA A 51 65.071 -0.589 17.260 1.00 0.00 C ATOM 0 H ALA A 51 65.873 1.668 17.094 1.00 0.00 H new ATOM 0 HA ALA A 51 67.150 -0.676 17.823 1.00 0.00 H new ATOM 0 HB1 ALA A 51 64.929 -1.665 17.358 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.758 -0.096 18.181 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.472 -0.218 16.428 1.00 0.00 H new ATOM 791 N LEU A 52 66.386 -0.586 14.603 1.00 0.00 N ATOM 792 CA LEU A 52 66.743 -1.142 13.309 1.00 0.00 C ATOM 793 C LEU A 52 68.214 -0.860 12.998 1.00 0.00 C ATOM 794 O LEU A 52 68.913 -1.696 12.414 1.00 0.00 O ATOM 795 CB LEU A 52 65.796 -0.573 12.229 1.00 0.00 C ATOM 796 CG LEU A 52 64.554 -1.482 12.148 1.00 0.00 C ATOM 797 CD1 LEU A 52 63.562 -1.122 13.265 1.00 0.00 C ATOM 798 CD2 LEU A 52 63.874 -1.327 10.787 1.00 0.00 C ATOM 0 H LEU A 52 65.626 0.094 14.578 1.00 0.00 H new ATOM 0 HA LEU A 52 66.624 -2.225 13.323 1.00 0.00 H new ATOM 0 HB2 LEU A 52 65.504 0.447 12.479 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.301 -0.533 11.264 1.00 0.00 H new ATOM 0 HG LEU A 52 64.872 -2.517 12.272 1.00 0.00 H new ATOM 0 HD11 LEU A 52 62.688 -1.770 13.198 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.041 -1.257 14.235 1.00 0.00 H new ATOM 0 HD13 LEU A 52 63.252 -0.083 13.155 1.00 0.00 H new ATOM 0 HD21 LEU A 52 62.998 -1.974 10.742 1.00 0.00 H new ATOM 0 HD22 LEU A 52 63.567 -0.290 10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.572 -1.606 9.998 1.00 0.00 H new ATOM 810 N LEU A 53 68.693 0.301 13.425 1.00 0.00 N ATOM 811 CA LEU A 53 70.092 0.655 13.213 1.00 0.00 C ATOM 812 C LEU A 53 70.992 -0.254 14.052 1.00 0.00 C ATOM 813 O LEU A 53 72.110 -0.583 13.656 1.00 0.00 O ATOM 814 CB LEU A 53 70.313 2.119 13.619 1.00 0.00 C ATOM 815 CG LEU A 53 71.379 2.774 12.727 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.673 1.956 12.779 1.00 0.00 C ATOM 817 CD2 LEU A 53 70.876 2.856 11.276 1.00 0.00 C ATOM 0 H LEU A 53 68.142 1.006 13.914 1.00 0.00 H new ATOM 0 HA LEU A 53 70.341 0.527 12.160 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.376 2.670 13.538 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.624 2.169 14.663 1.00 0.00 H new ATOM 0 HG LEU A 53 71.575 3.782 13.093 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.425 2.425 12.145 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.037 1.916 13.806 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.478 0.944 12.424 1.00 0.00 H new ATOM 0 HD21 LEU A 53 71.639 3.322 10.652 1.00 0.00 H new ATOM 0 HD22 LEU A 53 70.668 1.852 10.906 1.00 0.00 H new ATOM 0 HD23 LEU A 53 69.964 3.452 11.240 1.00 0.00 H new ATOM 829 N MET A 54 70.491 -0.641 15.220 1.00 0.00 N ATOM 830 CA MET A 54 71.244 -1.500 16.137 1.00 0.00 C ATOM 831 C MET A 54 71.472 -2.898 15.560 1.00 0.00 C ATOM 832 O MET A 54 72.489 -3.533 15.842 1.00 0.00 O ATOM 833 CB MET A 54 70.483 -1.634 17.461 1.00 0.00 C ATOM 834 CG MET A 54 71.394 -2.259 18.521 1.00 0.00 C ATOM 835 SD MET A 54 72.468 -0.980 19.224 1.00 0.00 S ATOM 836 CE MET A 54 71.652 -0.846 20.834 1.00 0.00 C ATOM 0 H MET A 54 69.566 -0.375 15.558 1.00 0.00 H new ATOM 0 HA MET A 54 72.216 -1.032 16.294 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.140 -0.655 17.795 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.596 -2.252 17.320 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.794 -2.718 19.307 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.997 -3.051 18.077 1.00 0.00 H new ATOM 0 HE1 MET A 54 72.163 -0.098 21.440 1.00 0.00 H new ATOM 0 HE2 MET A 54 70.613 -0.550 20.692 1.00 0.00 H new ATOM 0 HE3 MET A 54 71.688 -1.810 21.342 1.00 0.00 H new ATOM 846 N LEU A 55 70.517 -3.385 14.776 1.00 0.00 N ATOM 847 CA LEU A 55 70.630 -4.729 14.201 1.00 0.00 C ATOM 848 C LEU A 55 71.414 -4.708 12.894 1.00 0.00 C ATOM 849 O LEU A 55 71.809 -5.753 12.386 1.00 0.00 O ATOM 850 CB LEU A 55 69.239 -5.354 13.979 1.00 0.00 C ATOM 851 CG LEU A 55 68.160 -4.521 14.672 1.00 0.00 C ATOM 852 CD1 LEU A 55 66.780 -5.091 14.341 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.383 -4.570 16.186 1.00 0.00 C ATOM 0 H LEU A 55 69.666 -2.882 14.524 1.00 0.00 H new ATOM 0 HA LEU A 55 71.176 -5.345 14.916 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.028 -5.417 12.911 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.225 -6.373 14.367 1.00 0.00 H new ATOM 0 HG LEU A 55 68.216 -3.489 14.325 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.012 -4.496 14.836 1.00 0.00 H new ATOM 0 HD12 LEU A 55 66.623 -5.061 13.263 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.720 -6.122 14.688 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.617 -3.978 16.686 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.325 -5.603 16.529 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.367 -4.164 16.422 1.00 0.00 H new ATOM 865 N ASP A 56 71.650 -3.517 12.364 1.00 0.00 N ATOM 866 CA ASP A 56 72.412 -3.381 11.129 1.00 0.00 C ATOM 867 C ASP A 56 73.641 -4.267 11.207 1.00 0.00 C ATOM 868 O ASP A 56 73.999 -4.943 10.243 1.00 0.00 O ATOM 869 CB ASP A 56 72.831 -1.920 10.925 1.00 0.00 C ATOM 870 CG ASP A 56 73.894 -1.819 9.835 1.00 0.00 C ATOM 871 OD1 ASP A 56 74.089 -2.794 9.128 1.00 0.00 O ATOM 872 OD2 ASP A 56 74.500 -0.765 9.723 1.00 0.00 O ATOM 0 H ASP A 56 71.328 -2.636 12.765 1.00 0.00 H new ATOM 0 HA ASP A 56 71.794 -3.685 10.284 1.00 0.00 H new ATOM 0 HB2 ASP A 56 71.963 -1.321 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.218 -1.512 11.859 1.00 0.00 H new ATOM 877 N SER A 57 74.269 -4.279 12.376 1.00 0.00 N ATOM 878 CA SER A 57 75.438 -5.111 12.579 1.00 0.00 C ATOM 879 C SER A 57 75.063 -6.559 12.300 1.00 0.00 C ATOM 880 O SER A 57 75.922 -7.439 12.252 1.00 0.00 O ATOM 881 CB SER A 57 75.953 -4.961 14.015 1.00 0.00 C ATOM 882 OG SER A 57 77.303 -4.518 13.984 1.00 0.00 O ATOM 0 H SER A 57 73.989 -3.727 13.187 1.00 0.00 H new ATOM 0 HA SER A 57 76.232 -4.801 11.900 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.336 -4.248 14.562 1.00 0.00 H new ATOM 0 HB3 SER A 57 75.882 -5.913 14.541 1.00 0.00 H new ATOM 0 HG SER A 57 77.636 -4.419 14.900 1.00 0.00 H new ATOM 888 N ALA A 58 73.762 -6.791 12.112 1.00 0.00 N ATOM 889 CA ALA A 58 73.265 -8.142 11.828 1.00 0.00 C ATOM 890 C ALA A 58 74.257 -8.902 10.950 1.00 0.00 C ATOM 891 O ALA A 58 74.951 -9.805 11.410 1.00 0.00 O ATOM 892 CB ALA A 58 71.914 -8.064 11.110 1.00 0.00 C ATOM 0 H ALA A 58 73.040 -6.072 12.150 1.00 0.00 H new ATOM 0 HA ALA A 58 73.147 -8.670 12.774 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.553 -9.072 10.903 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.195 -7.544 11.743 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.031 -7.521 10.172 1.00 0.00 H new ATOM 898 N LYS A 59 74.306 -8.510 9.685 1.00 0.00 N ATOM 899 CA LYS A 59 75.202 -9.115 8.700 1.00 0.00 C ATOM 900 C LYS A 59 75.546 -10.571 9.017 1.00 0.00 C ATOM 901 O LYS A 59 76.661 -10.877 9.439 1.00 0.00 O ATOM 902 CB LYS A 59 76.493 -8.289 8.577 1.00 0.00 C ATOM 903 CG LYS A 59 77.273 -8.291 9.907 1.00 0.00 C ATOM 904 CD LYS A 59 78.710 -8.775 9.673 1.00 0.00 C ATOM 905 CE LYS A 59 79.500 -7.701 8.919 1.00 0.00 C ATOM 906 NZ LYS A 59 79.996 -6.680 9.884 1.00 0.00 N ATOM 0 H LYS A 59 73.725 -7.761 9.308 1.00 0.00 H new ATOM 0 HA LYS A 59 74.666 -9.114 7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.118 -8.698 7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.249 -7.265 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.283 -7.288 10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.775 -8.939 10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.191 -8.991 10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.703 -9.703 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 59 80.338 -8.155 8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 59 78.867 -7.229 8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 80.532 -5.951 9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.188 -6.239 10.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.614 -7.136 10.585 1.00 0.00 H new ATOM 920 N GLY A 60 74.594 -11.473 8.773 1.00 0.00 N ATOM 921 CA GLY A 60 74.827 -12.901 9.000 1.00 0.00 C ATOM 922 C GLY A 60 74.043 -13.432 10.195 1.00 0.00 C ATOM 923 O GLY A 60 73.765 -14.628 10.280 1.00 0.00 O ATOM 0 H GLY A 60 73.664 -11.244 8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.546 -13.459 8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.891 -13.072 9.161 1.00 0.00 H new ATOM 927 N ARG A 61 73.695 -12.548 11.117 1.00 0.00 N ATOM 928 CA ARG A 61 72.954 -12.952 12.297 1.00 0.00 C ATOM 929 C ARG A 61 71.515 -13.273 11.939 1.00 0.00 C ATOM 930 O ARG A 61 71.065 -12.992 10.831 1.00 0.00 O ATOM 931 CB ARG A 61 73.000 -11.826 13.328 1.00 0.00 C ATOM 932 CG ARG A 61 74.446 -11.658 13.788 1.00 0.00 C ATOM 933 CD ARG A 61 74.552 -10.516 14.804 1.00 0.00 C ATOM 934 NE ARG A 61 75.800 -9.776 14.615 1.00 0.00 N ATOM 935 CZ ARG A 61 76.959 -10.394 14.388 1.00 0.00 C ATOM 936 NH1 ARG A 61 78.037 -9.692 14.173 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.028 -11.697 14.407 1.00 0.00 N ATOM 0 H ARG A 61 73.913 -11.553 11.070 1.00 0.00 H new ATOM 0 HA ARG A 61 73.409 -13.850 12.715 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.629 -10.898 12.894 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.356 -12.061 14.176 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.803 -12.586 14.235 1.00 0.00 H new ATOM 0 HG3 ARG A 61 75.086 -11.451 12.930 1.00 0.00 H new ATOM 0 HD2 ARG A 61 73.702 -9.842 14.693 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.510 -10.917 15.817 1.00 0.00 H new ATOM 0 HE ARG A 61 75.783 -8.757 14.658 1.00 0.00 H new ATOM 0 HH11 ARG A 61 77.992 -8.673 14.179 1.00 0.00 H new ATOM 0 HH12 ARG A 61 78.925 -10.162 13.999 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.192 -12.249 14.596 1.00 0.00 H new ATOM 0 HH22 ARG A 61 77.918 -12.163 14.232 1.00 0.00 H new ATOM 951 N GLN A 62 70.795 -13.848 12.890 1.00 0.00 N ATOM 952 CA GLN A 62 69.396 -14.185 12.680 1.00 0.00 C ATOM 953 C GLN A 62 68.558 -13.322 13.598 1.00 0.00 C ATOM 954 O GLN A 62 68.938 -13.084 14.742 1.00 0.00 O ATOM 955 CB GLN A 62 69.148 -15.667 12.977 1.00 0.00 C ATOM 956 CG GLN A 62 69.319 -15.923 14.475 1.00 0.00 C ATOM 957 CD GLN A 62 69.738 -17.370 14.719 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.509 -17.934 13.943 1.00 0.00 O ATOM 959 NE2 GLN A 62 69.274 -18.007 15.759 1.00 0.00 N ATOM 0 H GLN A 62 71.156 -14.091 13.813 1.00 0.00 H new ATOM 0 HA GLN A 62 69.125 -14.003 11.640 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.143 -15.949 12.662 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.845 -16.284 12.410 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.069 -15.246 14.884 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.384 -15.715 14.996 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.635 -17.538 16.401 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.550 -18.974 15.930 1.00 0.00 H new ATOM 968 N ILE A 63 67.438 -12.833 13.097 1.00 0.00 N ATOM 969 CA ILE A 63 66.590 -11.976 13.885 1.00 0.00 C ATOM 970 C ILE A 63 65.386 -12.723 14.382 1.00 0.00 C ATOM 971 O ILE A 63 64.860 -13.605 13.714 1.00 0.00 O ATOM 972 CB ILE A 63 66.139 -10.800 13.039 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.497 -9.737 13.928 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.127 -11.275 11.992 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.578 -8.794 14.452 1.00 0.00 C ATOM 0 H ILE A 63 67.101 -13.017 12.152 1.00 0.00 H new ATOM 0 HA ILE A 63 67.158 -11.623 14.746 1.00 0.00 H new ATOM 0 HB ILE A 63 67.005 -10.370 12.535 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.752 -9.176 13.363 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.976 -10.210 14.761 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.805 -10.428 11.386 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.591 -12.024 11.351 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.263 -11.712 12.493 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.122 -8.034 15.087 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.306 -9.362 15.031 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.079 -8.312 13.612 1.00 0.00 H new ATOM 987 N GLU A 64 64.947 -12.321 15.552 1.00 0.00 N ATOM 988 CA GLU A 64 63.778 -12.899 16.170 1.00 0.00 C ATOM 989 C GLU A 64 62.717 -11.823 16.204 1.00 0.00 C ATOM 990 O GLU A 64 62.798 -10.880 16.994 1.00 0.00 O ATOM 991 CB GLU A 64 64.118 -13.394 17.583 1.00 0.00 C ATOM 992 CG GLU A 64 63.643 -14.837 17.761 1.00 0.00 C ATOM 993 CD GLU A 64 62.130 -14.916 17.588 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.499 -13.871 17.577 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.624 -16.020 17.470 1.00 0.00 O ATOM 0 H GLU A 64 65.390 -11.585 16.101 1.00 0.00 H new ATOM 0 HA GLU A 64 63.418 -13.761 15.608 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.194 -13.334 17.749 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.644 -12.752 18.326 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.134 -15.482 17.033 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.923 -15.201 18.749 1.00 0.00 H new ATOM 1002 N VAL A 65 61.745 -11.936 15.313 1.00 0.00 N ATOM 1003 CA VAL A 65 60.711 -10.940 15.233 1.00 0.00 C ATOM 1004 C VAL A 65 59.572 -11.296 16.155 1.00 0.00 C ATOM 1005 O VAL A 65 59.179 -12.454 16.234 1.00 0.00 O ATOM 1006 CB VAL A 65 60.211 -10.861 13.793 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.749 -12.237 13.312 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.053 -9.864 13.723 1.00 0.00 C ATOM 0 H VAL A 65 61.658 -12.702 14.645 1.00 0.00 H new ATOM 0 HA VAL A 65 61.112 -9.973 15.538 1.00 0.00 H new ATOM 0 HB VAL A 65 61.023 -10.528 13.146 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.396 -12.163 12.284 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.582 -12.938 13.360 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.939 -12.592 13.949 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.689 -9.801 12.698 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.246 -10.198 14.375 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.398 -8.882 14.047 1.00 0.00 H new ATOM 1018 N GLU A 66 59.034 -10.306 16.850 1.00 0.00 N ATOM 1019 CA GLU A 66 57.920 -10.570 17.736 1.00 0.00 C ATOM 1020 C GLU A 66 56.934 -9.410 17.729 1.00 0.00 C ATOM 1021 O GLU A 66 57.273 -8.307 18.151 1.00 0.00 O ATOM 1022 CB GLU A 66 58.401 -10.812 19.166 1.00 0.00 C ATOM 1023 CG GLU A 66 57.189 -10.807 20.103 1.00 0.00 C ATOM 1024 CD GLU A 66 57.552 -11.455 21.435 1.00 0.00 C ATOM 1025 OE1 GLU A 66 58.581 -11.098 21.983 1.00 0.00 O ATOM 1026 OE2 GLU A 66 56.795 -12.298 21.887 1.00 0.00 O ATOM 0 H GLU A 66 59.344 -9.335 16.818 1.00 0.00 H new ATOM 0 HA GLU A 66 57.421 -11.468 17.371 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.925 -11.766 19.232 1.00 0.00 H new ATOM 0 HB3 GLU A 66 59.110 -10.038 19.462 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.852 -9.784 20.268 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.361 -11.345 19.642 1.00 0.00 H new ATOM 1033 N ALA A 67 55.705 -9.657 17.275 1.00 0.00 N ATOM 1034 CA ALA A 67 54.698 -8.602 17.259 1.00 0.00 C ATOM 1035 C ALA A 67 53.561 -8.957 18.202 1.00 0.00 C ATOM 1036 O ALA A 67 53.320 -10.132 18.476 1.00 0.00 O ATOM 1037 CB ALA A 67 54.187 -8.381 15.838 1.00 0.00 C ATOM 0 H ALA A 67 55.389 -10.560 16.921 1.00 0.00 H new ATOM 0 HA ALA A 67 55.148 -7.671 17.602 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.436 -7.591 15.840 1.00 0.00 H new ATOM 0 HB2 ALA A 67 55.017 -8.091 15.194 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.743 -9.303 15.464 1.00 0.00 H new ATOM 1043 N THR A 68 52.887 -7.939 18.732 1.00 0.00 N ATOM 1044 CA THR A 68 51.811 -8.183 19.676 1.00 0.00 C ATOM 1045 C THR A 68 50.732 -7.102 19.606 1.00 0.00 C ATOM 1046 O THR A 68 50.910 -5.995 20.114 1.00 0.00 O ATOM 1047 CB THR A 68 52.386 -8.214 21.089 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.383 -9.219 21.175 1.00 0.00 O ATOM 1049 CG2 THR A 68 51.267 -8.506 22.081 1.00 0.00 C ATOM 0 H THR A 68 53.066 -6.956 18.526 1.00 0.00 H new ATOM 0 HA THR A 68 51.351 -9.137 19.419 1.00 0.00 H new ATOM 0 HB THR A 68 52.834 -7.249 21.324 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.752 -9.237 22.083 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.674 -8.529 23.092 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.508 -7.727 22.013 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.818 -9.471 21.849 1.00 0.00 H new ATOM 1057 N GLY A 69 49.611 -7.447 18.992 1.00 0.00 N ATOM 1058 CA GLY A 69 48.483 -6.533 18.866 1.00 0.00 C ATOM 1059 C GLY A 69 47.493 -7.047 17.824 1.00 0.00 C ATOM 1060 O GLY A 69 47.769 -8.003 17.109 1.00 0.00 O ATOM 0 H GLY A 69 49.456 -8.362 18.569 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.984 -6.427 19.829 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.839 -5.543 18.581 1.00 0.00 H new ATOM 1064 N PRO A 70 46.351 -6.440 17.730 1.00 0.00 N ATOM 1065 CA PRO A 70 45.297 -6.849 16.765 1.00 0.00 C ATOM 1066 C PRO A 70 45.850 -7.380 15.448 1.00 0.00 C ATOM 1067 O PRO A 70 45.455 -8.452 14.988 1.00 0.00 O ATOM 1068 CB PRO A 70 44.537 -5.551 16.554 1.00 0.00 C ATOM 1069 CG PRO A 70 44.578 -4.885 17.890 1.00 0.00 C ATOM 1070 CD PRO A 70 45.918 -5.282 18.529 1.00 0.00 C ATOM 0 HA PRO A 70 44.693 -7.675 17.139 1.00 0.00 H new ATOM 0 HB2 PRO A 70 45.005 -4.935 15.787 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.512 -5.737 16.232 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.502 -3.803 17.787 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.741 -5.206 18.510 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.642 -4.468 18.481 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.799 -5.542 19.581 1.00 0.00 H new ATOM 1078 N GLN A 71 46.739 -6.612 14.831 1.00 0.00 N ATOM 1079 CA GLN A 71 47.309 -7.011 13.537 1.00 0.00 C ATOM 1080 C GLN A 71 48.825 -7.233 13.600 1.00 0.00 C ATOM 1081 O GLN A 71 49.559 -6.827 12.700 1.00 0.00 O ATOM 1082 CB GLN A 71 46.983 -5.941 12.492 1.00 0.00 C ATOM 1083 CG GLN A 71 45.540 -6.118 12.006 1.00 0.00 C ATOM 1084 CD GLN A 71 45.027 -4.814 11.402 1.00 0.00 C ATOM 1085 OE1 GLN A 71 44.700 -4.764 10.216 1.00 0.00 O ATOM 1086 NE2 GLN A 71 44.935 -3.751 12.153 1.00 0.00 N ATOM 0 H GLN A 71 47.081 -5.722 15.193 1.00 0.00 H new ATOM 0 HA GLN A 71 46.861 -7.965 13.261 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.113 -4.948 12.921 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.672 -6.018 11.651 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.493 -6.915 11.264 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.902 -6.419 12.837 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.207 -3.795 13.135 1.00 0.00 H new ATOM 0 HE22 GLN A 71 44.591 -2.876 11.758 1.00 0.00 H new ATOM 1095 N GLU A 72 49.283 -7.897 14.652 1.00 0.00 N ATOM 1096 CA GLU A 72 50.708 -8.190 14.812 1.00 0.00 C ATOM 1097 C GLU A 72 51.197 -9.133 13.731 1.00 0.00 C ATOM 1098 O GLU A 72 52.374 -9.126 13.383 1.00 0.00 O ATOM 1099 CB GLU A 72 50.958 -8.818 16.193 1.00 0.00 C ATOM 1100 CG GLU A 72 49.774 -9.717 16.576 1.00 0.00 C ATOM 1101 CD GLU A 72 50.249 -10.985 17.276 1.00 0.00 C ATOM 1102 OE1 GLU A 72 49.433 -11.871 17.470 1.00 0.00 O ATOM 1103 OE2 GLU A 72 51.417 -11.052 17.605 1.00 0.00 O ATOM 0 H GLU A 72 48.693 -8.244 15.408 1.00 0.00 H new ATOM 0 HA GLU A 72 51.259 -7.253 14.727 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.879 -9.401 16.177 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.089 -8.036 16.940 1.00 0.00 H new ATOM 0 HG2 GLU A 72 49.095 -9.170 17.230 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.210 -9.982 15.681 1.00 0.00 H new ATOM 1110 N GLU A 73 50.299 -9.936 13.201 1.00 0.00 N ATOM 1111 CA GLU A 73 50.676 -10.874 12.160 1.00 0.00 C ATOM 1112 C GLU A 73 51.029 -10.126 10.881 1.00 0.00 C ATOM 1113 O GLU A 73 52.152 -10.214 10.394 1.00 0.00 O ATOM 1114 CB GLU A 73 49.531 -11.856 11.896 1.00 0.00 C ATOM 1115 CG GLU A 73 49.316 -12.749 13.132 1.00 0.00 C ATOM 1116 CD GLU A 73 49.481 -14.220 12.759 1.00 0.00 C ATOM 1117 OE1 GLU A 73 48.610 -15.000 13.109 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.476 -14.545 12.132 1.00 0.00 O ATOM 0 H GLU A 73 49.315 -9.961 13.468 1.00 0.00 H new ATOM 0 HA GLU A 73 51.551 -11.433 12.492 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.616 -11.309 11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.761 -12.472 11.026 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.031 -12.482 13.911 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.320 -12.580 13.542 1.00 0.00 H new ATOM 1125 N GLU A 74 50.069 -9.377 10.354 1.00 0.00 N ATOM 1126 CA GLU A 74 50.292 -8.608 9.136 1.00 0.00 C ATOM 1127 C GLU A 74 51.563 -7.774 9.263 1.00 0.00 C ATOM 1128 O GLU A 74 52.326 -7.617 8.309 1.00 0.00 O ATOM 1129 CB GLU A 74 49.095 -7.685 8.897 1.00 0.00 C ATOM 1130 CG GLU A 74 47.818 -8.363 9.394 1.00 0.00 C ATOM 1131 CD GLU A 74 46.591 -7.701 8.775 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.765 -6.891 7.880 1.00 0.00 O ATOM 1133 OE2 GLU A 74 45.493 -8.015 9.205 1.00 0.00 O ATOM 0 H GLU A 74 49.133 -9.285 10.748 1.00 0.00 H new ATOM 0 HA GLU A 74 50.404 -9.293 8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.243 -6.739 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.007 -7.454 7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 74 47.837 -9.422 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.764 -8.300 10.481 1.00 0.00 H new ATOM 1140 N ALA A 75 51.763 -7.236 10.455 1.00 0.00 N ATOM 1141 CA ALA A 75 52.923 -6.397 10.745 1.00 0.00 C ATOM 1142 C ALA A 75 54.201 -7.211 10.762 1.00 0.00 C ATOM 1143 O ALA A 75 55.115 -6.942 9.992 1.00 0.00 O ATOM 1144 CB ALA A 75 52.721 -5.695 12.102 1.00 0.00 C ATOM 0 H ALA A 75 51.133 -7.365 11.247 1.00 0.00 H new ATOM 0 HA ALA A 75 53.016 -5.650 9.956 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.586 -5.068 12.320 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.825 -5.075 12.061 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.609 -6.444 12.886 1.00 0.00 H new ATOM 1150 N LEU A 76 54.249 -8.211 11.622 1.00 0.00 N ATOM 1151 CA LEU A 76 55.418 -9.071 11.716 1.00 0.00 C ATOM 1152 C LEU A 76 55.579 -9.840 10.413 1.00 0.00 C ATOM 1153 O LEU A 76 56.686 -10.191 10.010 1.00 0.00 O ATOM 1154 CB LEU A 76 55.218 -10.022 12.895 1.00 0.00 C ATOM 1155 CG LEU A 76 55.987 -11.334 12.690 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.218 -12.014 14.053 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.186 -12.279 11.769 1.00 0.00 C ATOM 0 H LEU A 76 53.494 -8.449 12.265 1.00 0.00 H new ATOM 0 HA LEU A 76 56.323 -8.485 11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.554 -9.541 13.814 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.156 -10.236 13.017 1.00 0.00 H new ATOM 0 HG LEU A 76 56.948 -11.115 12.224 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.764 -12.946 13.907 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.797 -11.351 14.697 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.257 -12.226 14.521 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.740 -13.207 11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.220 -12.498 12.224 1.00 0.00 H new ATOM 0 HD23 LEU A 76 55.032 -11.800 10.802 1.00 0.00 H new ATOM 1169 N ALA A 77 54.453 -10.079 9.761 1.00 0.00 N ATOM 1170 CA ALA A 77 54.434 -10.789 8.491 1.00 0.00 C ATOM 1171 C ALA A 77 54.815 -9.845 7.355 1.00 0.00 C ATOM 1172 O ALA A 77 55.233 -10.280 6.281 1.00 0.00 O ATOM 1173 CB ALA A 77 53.026 -11.328 8.245 1.00 0.00 C ATOM 0 H ALA A 77 53.533 -9.789 10.093 1.00 0.00 H new ATOM 0 HA ALA A 77 55.151 -11.609 8.527 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.002 -11.862 7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.751 -12.008 9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.319 -10.499 8.213 1.00 0.00 H new ATOM 1179 N ALA A 78 54.670 -8.548 7.607 1.00 0.00 N ATOM 1180 CA ALA A 78 55.001 -7.542 6.607 1.00 0.00 C ATOM 1181 C ALA A 78 56.499 -7.269 6.638 1.00 0.00 C ATOM 1182 O ALA A 78 57.119 -6.987 5.609 1.00 0.00 O ATOM 1183 CB ALA A 78 54.212 -6.254 6.875 1.00 0.00 C ATOM 0 H ALA A 78 54.327 -8.171 8.491 1.00 0.00 H new ATOM 0 HA ALA A 78 54.729 -7.910 5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.466 -5.508 6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.144 -6.466 6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.464 -5.872 7.864 1.00 0.00 H new ATOM 1189 N VAL A 79 57.086 -7.406 7.822 1.00 0.00 N ATOM 1190 CA VAL A 79 58.518 -7.220 7.973 1.00 0.00 C ATOM 1191 C VAL A 79 59.198 -8.404 7.326 1.00 0.00 C ATOM 1192 O VAL A 79 60.150 -8.267 6.574 1.00 0.00 O ATOM 1193 CB VAL A 79 58.904 -7.162 9.462 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.661 -6.946 10.307 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.553 -8.482 9.874 1.00 0.00 C ATOM 0 H VAL A 79 56.594 -7.643 8.683 1.00 0.00 H new ATOM 0 HA VAL A 79 58.824 -6.283 7.507 1.00 0.00 H new ATOM 0 HB VAL A 79 59.602 -6.339 9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.939 -6.906 11.360 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.185 -6.008 10.021 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.965 -7.769 10.147 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.826 -8.440 10.928 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.849 -9.299 9.714 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.447 -8.650 9.274 1.00 0.00 H new ATOM 1205 N ILE A 80 58.678 -9.575 7.646 1.00 0.00 N ATOM 1206 CA ILE A 80 59.199 -10.806 7.120 1.00 0.00 C ATOM 1207 C ILE A 80 59.341 -10.686 5.634 1.00 0.00 C ATOM 1208 O ILE A 80 60.438 -10.781 5.106 1.00 0.00 O ATOM 1209 CB ILE A 80 58.252 -11.919 7.528 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.534 -12.212 9.007 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.459 -13.163 6.656 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.242 -13.551 9.166 1.00 0.00 C ATOM 0 H ILE A 80 57.885 -9.691 8.277 1.00 0.00 H new ATOM 0 HA ILE A 80 60.189 -11.032 7.516 1.00 0.00 H new ATOM 0 HB ILE A 80 57.212 -11.623 7.388 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.149 -11.417 9.429 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.598 -12.221 9.566 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.768 -13.946 6.969 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.273 -12.911 5.612 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.484 -13.518 6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.432 -13.739 10.223 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.613 -14.345 8.764 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.188 -13.529 8.625 1.00 0.00 H new ATOM 1224 N ALA A 81 58.253 -10.410 4.958 1.00 0.00 N ATOM 1225 CA ALA A 81 58.353 -10.218 3.531 1.00 0.00 C ATOM 1226 C ALA A 81 59.495 -9.255 3.281 1.00 0.00 C ATOM 1227 O ALA A 81 60.092 -9.240 2.205 1.00 0.00 O ATOM 1228 CB ALA A 81 57.072 -9.641 2.962 1.00 0.00 C ATOM 0 H ALA A 81 57.318 -10.315 5.354 1.00 0.00 H new ATOM 0 HA ALA A 81 58.527 -11.178 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.179 -9.508 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.245 -10.322 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 81 56.869 -8.677 3.428 1.00 0.00 H new ATOM 1234 N LEU A 82 59.823 -8.474 4.317 1.00 0.00 N ATOM 1235 CA LEU A 82 60.931 -7.544 4.216 1.00 0.00 C ATOM 1236 C LEU A 82 62.189 -8.245 4.697 1.00 0.00 C ATOM 1237 O LEU A 82 63.256 -8.120 4.097 1.00 0.00 O ATOM 1238 CB LEU A 82 60.666 -6.281 5.047 1.00 0.00 C ATOM 1239 CG LEU A 82 61.329 -5.081 4.368 1.00 0.00 C ATOM 1240 CD1 LEU A 82 62.822 -5.372 4.183 1.00 0.00 C ATOM 1241 CD2 LEU A 82 60.671 -4.833 3.001 1.00 0.00 C ATOM 0 H LEU A 82 59.341 -8.473 5.216 1.00 0.00 H new ATOM 0 HA LEU A 82 61.052 -7.231 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.593 -6.113 5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.060 -6.406 6.056 1.00 0.00 H new ATOM 0 HG LEU A 82 61.206 -4.192 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.301 -4.521 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.283 -5.543 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 82 62.946 -6.259 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.145 -3.978 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.792 -5.716 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.609 -4.629 3.140 1.00 0.00 H new ATOM 1253 N PHE A 83 62.047 -9.007 5.775 1.00 0.00 N ATOM 1254 CA PHE A 83 63.168 -9.745 6.310 1.00 0.00 C ATOM 1255 C PHE A 83 63.513 -10.863 5.351 1.00 0.00 C ATOM 1256 O PHE A 83 64.681 -11.171 5.111 1.00 0.00 O ATOM 1257 CB PHE A 83 62.840 -10.302 7.684 1.00 0.00 C ATOM 1258 CG PHE A 83 62.809 -9.194 8.712 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.636 -7.851 8.328 1.00 0.00 C ATOM 1260 CD2 PHE A 83 62.946 -9.514 10.065 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.598 -6.853 9.296 1.00 0.00 C ATOM 1262 CE2 PHE A 83 62.912 -8.511 11.026 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.737 -7.186 10.642 1.00 0.00 C ATOM 0 H PHE A 83 61.173 -9.125 6.287 1.00 0.00 H new ATOM 0 HA PHE A 83 64.023 -9.079 6.421 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.875 -10.808 7.657 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.583 -11.048 7.967 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.533 -7.596 7.284 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.079 -10.543 10.365 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.461 -5.822 9.005 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.021 -8.760 12.071 1.00 0.00 H new ATOM 0 HZ PHE A 83 62.709 -6.410 11.392 1.00 0.00 H new ATOM 1273 N ASN A 84 62.469 -11.430 4.775 1.00 0.00 N ATOM 1274 CA ASN A 84 62.613 -12.482 3.797 1.00 0.00 C ATOM 1275 C ASN A 84 63.171 -11.877 2.538 1.00 0.00 C ATOM 1276 O ASN A 84 63.751 -12.548 1.685 1.00 0.00 O ATOM 1277 CB ASN A 84 61.242 -13.093 3.512 1.00 0.00 C ATOM 1278 CG ASN A 84 61.359 -14.598 3.294 1.00 0.00 C ATOM 1279 OD1 ASN A 84 61.898 -15.039 2.279 1.00 0.00 O ATOM 1280 ND2 ASN A 84 60.883 -15.416 4.192 1.00 0.00 N ATOM 0 H ASN A 84 61.502 -11.172 4.974 1.00 0.00 H new ATOM 0 HA ASN A 84 63.280 -13.261 4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.568 -12.892 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 84 60.806 -12.625 2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 84 60.957 -16.424 4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.437 -15.048 5.032 1.00 0.00 H new ATOM 1287 N SER A 85 62.973 -10.584 2.460 1.00 0.00 N ATOM 1288 CA SER A 85 63.439 -9.805 1.317 1.00 0.00 C ATOM 1289 C SER A 85 63.087 -8.332 1.485 1.00 0.00 C ATOM 1290 O SER A 85 63.948 -7.583 1.918 1.00 0.00 O ATOM 1291 CB SER A 85 62.807 -10.336 0.030 1.00 0.00 C ATOM 1292 OG SER A 85 61.406 -10.484 0.222 1.00 0.00 O ATOM 1293 OXT SER A 85 61.965 -7.972 1.172 1.00 0.00 O ATOM 0 H SER A 85 62.491 -10.038 3.174 1.00 0.00 H new ATOM 0 HA SER A 85 64.523 -9.901 1.259 1.00 0.00 H new ATOM 0 HB2 SER A 85 63.002 -9.651 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 85 63.252 -11.294 -0.239 1.00 0.00 H new ATOM 0 HG SER A 85 61.078 -9.765 0.802 1.00 0.00 H new