USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 550 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.1) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 38 ASN : amide:sc= -6.13! C(o=-6.1!,f=-11!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 48 SER OG : rot 140:sc= 0.142 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -84:sc= 0.997 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.0424 (180deg=-0.419) USER MOD Single : A 62 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.2) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -7.99! C(o=-8!,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 53.735 -13.092 14.549 1.00 0.00 N ATOM 35 CA VAL A 3 54.605 -13.815 13.630 1.00 0.00 C ATOM 36 C VAL A 3 56.041 -13.315 13.746 1.00 0.00 C ATOM 37 O VAL A 3 56.319 -12.139 13.508 1.00 0.00 O ATOM 38 CB VAL A 3 54.113 -13.633 12.194 1.00 0.00 C ATOM 39 CG1 VAL A 3 55.048 -14.373 11.235 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.699 -14.202 12.063 1.00 0.00 C ATOM 0 HA VAL A 3 54.579 -14.873 13.891 1.00 0.00 H new ATOM 0 HB VAL A 3 54.104 -12.571 11.947 1.00 0.00 H new ATOM 0 HG11 VAL A 3 54.697 -14.243 10.211 1.00 0.00 H new ATOM 0 HG12 VAL A 3 56.057 -13.970 11.327 1.00 0.00 H new ATOM 0 HG13 VAL A 3 55.058 -15.434 11.483 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.348 -14.072 11.039 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.709 -15.263 12.311 1.00 0.00 H new ATOM 0 HG23 VAL A 3 52.031 -13.676 12.745 1.00 0.00 H new ATOM 50 N LYS A 4 56.948 -14.213 14.113 1.00 0.00 N ATOM 51 CA LYS A 4 58.353 -13.849 14.258 1.00 0.00 C ATOM 52 C LYS A 4 59.232 -14.754 13.402 1.00 0.00 C ATOM 53 O LYS A 4 58.757 -15.731 12.822 1.00 0.00 O ATOM 54 CB LYS A 4 58.774 -13.965 15.724 1.00 0.00 C ATOM 55 CG LYS A 4 58.379 -15.341 16.264 1.00 0.00 C ATOM 56 CD LYS A 4 58.538 -15.357 17.786 1.00 0.00 C ATOM 57 CE LYS A 4 58.218 -16.755 18.318 1.00 0.00 C ATOM 58 NZ LYS A 4 58.428 -16.786 19.793 1.00 0.00 N ATOM 0 H LYS A 4 56.739 -15.191 14.314 1.00 0.00 H new ATOM 0 HA LYS A 4 58.478 -12.819 13.924 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.851 -13.822 15.816 1.00 0.00 H new ATOM 0 HB3 LYS A 4 58.297 -13.181 16.313 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.348 -15.567 15.993 1.00 0.00 H new ATOM 0 HG3 LYS A 4 59.004 -16.113 15.814 1.00 0.00 H new ATOM 0 HD2 LYS A 4 59.555 -15.077 18.059 1.00 0.00 H new ATOM 0 HD3 LYS A 4 57.872 -14.623 18.240 1.00 0.00 H new ATOM 0 HE2 LYS A 4 57.187 -17.019 18.081 1.00 0.00 H new ATOM 0 HE3 LYS A 4 58.855 -17.495 17.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 58.210 -17.736 20.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 59.418 -16.552 20.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 57.802 -16.091 20.247 1.00 0.00 H new ATOM 72 N GLN A 5 60.518 -14.423 13.326 1.00 0.00 N ATOM 73 CA GLN A 5 61.455 -15.212 12.538 1.00 0.00 C ATOM 74 C GLN A 5 62.894 -14.861 12.906 1.00 0.00 C ATOM 75 O GLN A 5 63.266 -13.689 12.948 1.00 0.00 O ATOM 76 CB GLN A 5 61.231 -14.953 11.047 1.00 0.00 C ATOM 77 CG GLN A 5 61.138 -16.287 10.304 1.00 0.00 C ATOM 78 CD GLN A 5 62.406 -17.103 10.536 1.00 0.00 C ATOM 79 OE1 GLN A 5 62.429 -17.984 11.395 1.00 0.00 O ATOM 80 NE2 GLN A 5 63.467 -16.860 9.816 1.00 0.00 N ATOM 0 H GLN A 5 60.931 -13.619 13.798 1.00 0.00 H new ATOM 0 HA GLN A 5 61.283 -16.267 12.754 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.316 -14.379 10.901 1.00 0.00 H new ATOM 0 HB3 GLN A 5 62.050 -14.357 10.644 1.00 0.00 H new ATOM 0 HG2 GLN A 5 60.268 -16.845 10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 5 61.000 -16.110 9.237 1.00 0.00 H new ATOM 0 HE21 GLN A 5 63.444 -16.129 9.105 1.00 0.00 H new ATOM 0 HE22 GLN A 5 64.319 -17.401 9.964 1.00 0.00 H new ATOM 89 N THR A 6 63.697 -15.886 13.175 1.00 0.00 N ATOM 90 CA THR A 6 65.092 -15.673 13.541 1.00 0.00 C ATOM 91 C THR A 6 65.938 -15.402 12.300 1.00 0.00 C ATOM 92 O THR A 6 65.874 -16.143 11.320 1.00 0.00 O ATOM 93 CB THR A 6 65.634 -16.904 14.271 1.00 0.00 C ATOM 94 OG1 THR A 6 64.583 -17.840 14.461 1.00 0.00 O ATOM 95 CG2 THR A 6 66.200 -16.486 15.629 1.00 0.00 C ATOM 0 H THR A 6 63.409 -16.864 13.147 1.00 0.00 H new ATOM 0 HA THR A 6 65.146 -14.806 14.200 1.00 0.00 H new ATOM 0 HB THR A 6 66.425 -17.361 13.676 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.929 -18.630 14.927 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.586 -17.363 16.148 1.00 0.00 H new ATOM 0 HG22 THR A 6 67.007 -15.768 15.482 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.412 -16.028 16.227 1.00 0.00 H new ATOM 103 N VAL A 7 66.727 -14.334 12.351 1.00 0.00 N ATOM 104 CA VAL A 7 67.582 -13.974 11.226 1.00 0.00 C ATOM 105 C VAL A 7 68.954 -13.526 11.718 1.00 0.00 C ATOM 106 O VAL A 7 69.060 -12.725 12.648 1.00 0.00 O ATOM 107 CB VAL A 7 66.934 -12.849 10.417 1.00 0.00 C ATOM 108 CG1 VAL A 7 66.528 -11.713 11.357 1.00 0.00 C ATOM 109 CG2 VAL A 7 67.936 -12.322 9.387 1.00 0.00 C ATOM 0 H VAL A 7 66.792 -13.707 13.153 1.00 0.00 H new ATOM 0 HA VAL A 7 67.706 -14.852 10.592 1.00 0.00 H new ATOM 0 HB VAL A 7 66.051 -13.231 9.906 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.066 -10.911 10.781 1.00 0.00 H new ATOM 0 HG12 VAL A 7 65.817 -12.087 12.093 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.411 -11.330 11.868 1.00 0.00 H new ATOM 0 HG21 VAL A 7 67.476 -11.520 8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 7 68.818 -11.940 9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 7 68.228 -13.130 8.717 1.00 0.00 H new ATOM 119 N GLU A 8 70.002 -14.046 11.090 1.00 0.00 N ATOM 120 CA GLU A 8 71.365 -13.693 11.473 1.00 0.00 C ATOM 121 C GLU A 8 71.712 -12.289 10.987 1.00 0.00 C ATOM 122 O GLU A 8 71.436 -11.932 9.841 1.00 0.00 O ATOM 123 CB GLU A 8 72.352 -14.699 10.881 1.00 0.00 C ATOM 124 CG GLU A 8 71.940 -16.116 11.283 1.00 0.00 C ATOM 125 CD GLU A 8 70.949 -16.679 10.271 1.00 0.00 C ATOM 126 OE1 GLU A 8 70.380 -15.895 9.529 1.00 0.00 O ATOM 127 OE2 GLU A 8 70.774 -17.886 10.252 1.00 0.00 O ATOM 0 H GLU A 8 69.936 -14.709 10.318 1.00 0.00 H new ATOM 0 HA GLU A 8 71.434 -13.716 12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 8 72.372 -14.609 9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 8 73.360 -14.487 11.237 1.00 0.00 H new ATOM 0 HG2 GLU A 8 72.820 -16.757 11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 8 71.491 -16.105 12.276 1.00 0.00 H new ATOM 134 N ILE A 9 72.319 -11.498 11.864 1.00 0.00 N ATOM 135 CA ILE A 9 72.701 -10.134 11.513 1.00 0.00 C ATOM 136 C ILE A 9 74.077 -10.117 10.855 1.00 0.00 C ATOM 137 O ILE A 9 75.064 -10.555 11.447 1.00 0.00 O ATOM 138 CB ILE A 9 72.722 -9.258 12.766 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.285 -8.930 13.182 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.474 -7.960 12.470 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.500 -8.444 11.964 1.00 0.00 C ATOM 0 H ILE A 9 72.556 -11.774 12.817 1.00 0.00 H new ATOM 0 HA ILE A 9 71.968 -9.741 10.808 1.00 0.00 H new ATOM 0 HB ILE A 9 73.223 -9.792 13.573 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.808 -9.813 13.607 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.285 -8.164 13.957 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.489 -7.336 13.364 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.497 -8.192 12.173 1.00 0.00 H new ATOM 0 HG23 ILE A 9 72.974 -7.426 11.662 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.477 -8.211 12.260 1.00 0.00 H new ATOM 0 HD12 ILE A 9 70.974 -7.550 11.559 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.488 -9.225 11.203 1.00 0.00 H new ATOM 297 N PRO A 19 67.176 0.500 6.595 1.00 0.00 N ATOM 298 CA PRO A 19 66.196 -0.545 7.008 1.00 0.00 C ATOM 299 C PRO A 19 65.424 -0.146 8.263 1.00 0.00 C ATOM 300 O PRO A 19 64.195 -0.213 8.296 1.00 0.00 O ATOM 301 CB PRO A 19 67.064 -1.776 7.270 1.00 0.00 C ATOM 302 CG PRO A 19 68.295 -1.578 6.448 1.00 0.00 C ATOM 303 CD PRO A 19 68.505 -0.069 6.322 1.00 0.00 C ATOM 0 HA PRO A 19 65.433 -0.712 6.248 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.309 -1.866 8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.544 -2.691 6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 19 69.156 -2.050 6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.181 -2.036 5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.247 0.291 7.034 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.859 0.203 5.328 1.00 0.00 H new ATOM 311 N ALA A 20 66.154 0.272 9.292 1.00 0.00 N ATOM 312 CA ALA A 20 65.528 0.681 10.544 1.00 0.00 C ATOM 313 C ALA A 20 64.675 1.927 10.333 1.00 0.00 C ATOM 314 O ALA A 20 63.563 2.025 10.851 1.00 0.00 O ATOM 315 CB ALA A 20 66.602 0.966 11.596 1.00 0.00 C ATOM 0 H ALA A 20 67.172 0.336 9.284 1.00 0.00 H new ATOM 0 HA ALA A 20 64.887 -0.130 10.891 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.126 1.271 12.528 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.192 0.065 11.767 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.254 1.765 11.243 1.00 0.00 H new ATOM 321 N MET A 21 65.204 2.879 9.571 1.00 0.00 N ATOM 322 CA MET A 21 64.482 4.115 9.298 1.00 0.00 C ATOM 323 C MET A 21 63.256 3.840 8.435 1.00 0.00 C ATOM 324 O MET A 21 62.164 4.333 8.715 1.00 0.00 O ATOM 325 CB MET A 21 65.399 5.108 8.582 1.00 0.00 C ATOM 326 CG MET A 21 66.300 5.801 9.605 1.00 0.00 C ATOM 327 SD MET A 21 67.248 7.109 8.788 1.00 0.00 S ATOM 328 CE MET A 21 68.197 7.640 10.235 1.00 0.00 C ATOM 0 H MET A 21 66.124 2.819 9.134 1.00 0.00 H new ATOM 0 HA MET A 21 64.156 4.540 10.247 1.00 0.00 H new ATOM 0 HB2 MET A 21 66.006 4.589 7.840 1.00 0.00 H new ATOM 0 HB3 MET A 21 64.804 5.847 8.046 1.00 0.00 H new ATOM 0 HG2 MET A 21 65.697 6.223 10.409 1.00 0.00 H new ATOM 0 HG3 MET A 21 66.976 5.077 10.059 1.00 0.00 H new ATOM 0 HE1 MET A 21 68.862 8.457 9.954 1.00 0.00 H new ATOM 0 HE2 MET A 21 67.514 7.979 11.014 1.00 0.00 H new ATOM 0 HE3 MET A 21 68.788 6.804 10.610 1.00 0.00 H new ATOM 338 N LYS A 22 63.442 3.046 7.386 1.00 0.00 N ATOM 339 CA LYS A 22 62.343 2.710 6.487 1.00 0.00 C ATOM 340 C LYS A 22 61.236 1.985 7.245 1.00 0.00 C ATOM 341 O LYS A 22 60.052 2.212 7.002 1.00 0.00 O ATOM 342 CB LYS A 22 62.852 1.823 5.349 1.00 0.00 C ATOM 343 CG LYS A 22 62.043 2.107 4.081 1.00 0.00 C ATOM 344 CD LYS A 22 62.427 1.098 2.996 1.00 0.00 C ATOM 345 CE LYS A 22 61.625 1.386 1.726 1.00 0.00 C ATOM 346 NZ LYS A 22 62.050 0.449 0.648 1.00 0.00 N ATOM 0 H LYS A 22 64.337 2.625 7.138 1.00 0.00 H new ATOM 0 HA LYS A 22 61.940 3.634 6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.910 2.015 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 22 62.761 0.772 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.976 2.040 4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 22 62.235 3.122 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.495 1.161 2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.229 0.083 3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 22 60.559 1.272 1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.782 2.417 1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 61.505 0.644 -0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.064 0.579 0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 61.878 -0.531 0.952 1.00 0.00 H new ATOM 360 N LEU A 23 61.631 1.111 8.166 1.00 0.00 N ATOM 361 CA LEU A 23 60.663 0.357 8.954 1.00 0.00 C ATOM 362 C LEU A 23 59.599 1.287 9.529 1.00 0.00 C ATOM 363 O LEU A 23 58.409 0.971 9.511 1.00 0.00 O ATOM 364 CB LEU A 23 61.374 -0.374 10.095 1.00 0.00 C ATOM 365 CG LEU A 23 61.467 -1.865 9.765 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.436 -2.542 10.737 1.00 0.00 C ATOM 367 CD2 LEU A 23 60.083 -2.503 9.900 1.00 0.00 C ATOM 0 H LEU A 23 62.607 0.909 8.384 1.00 0.00 H new ATOM 0 HA LEU A 23 60.180 -0.370 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.372 0.040 10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.830 -0.230 11.028 1.00 0.00 H new ATOM 0 HG LEU A 23 61.828 -1.990 8.744 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.503 -3.604 10.503 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.422 -2.087 10.644 1.00 0.00 H new ATOM 0 HD13 LEU A 23 62.074 -2.418 11.758 1.00 0.00 H new ATOM 0 HD21 LEU A 23 60.148 -3.565 9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.723 -2.378 10.921 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.391 -2.020 9.210 1.00 0.00 H new ATOM 379 N PHE A 24 60.036 2.435 10.037 1.00 0.00 N ATOM 380 CA PHE A 24 59.112 3.404 10.613 1.00 0.00 C ATOM 381 C PHE A 24 58.057 3.813 9.590 1.00 0.00 C ATOM 382 O PHE A 24 56.881 3.964 9.922 1.00 0.00 O ATOM 383 CB PHE A 24 59.877 4.642 11.082 1.00 0.00 C ATOM 384 CG PHE A 24 60.367 4.427 12.494 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.673 3.975 12.721 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.515 4.678 13.576 1.00 0.00 C ATOM 387 CE1 PHE A 24 62.127 3.775 14.031 1.00 0.00 C ATOM 388 CE2 PHE A 24 59.969 4.478 14.886 1.00 0.00 C ATOM 389 CZ PHE A 24 61.274 4.026 15.113 1.00 0.00 C ATOM 0 H PHE A 24 61.016 2.715 10.061 1.00 0.00 H new ATOM 0 HA PHE A 24 58.615 2.940 11.465 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.720 4.834 10.419 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.231 5.519 11.039 1.00 0.00 H new ATOM 0 HD1 PHE A 24 62.330 3.781 11.886 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.508 5.026 13.401 1.00 0.00 H new ATOM 0 HE1 PHE A 24 63.134 3.427 14.207 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.312 4.673 15.721 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.623 3.871 16.123 1.00 0.00 H new ATOM 399 N GLU A 25 58.486 3.989 8.344 1.00 0.00 N ATOM 400 CA GLU A 25 57.570 4.379 7.279 1.00 0.00 C ATOM 401 C GLU A 25 56.629 3.229 6.935 1.00 0.00 C ATOM 402 O GLU A 25 55.464 3.445 6.603 1.00 0.00 O ATOM 403 CB GLU A 25 58.359 4.786 6.033 1.00 0.00 C ATOM 404 CG GLU A 25 59.103 6.093 6.304 1.00 0.00 C ATOM 405 CD GLU A 25 59.966 6.461 5.101 1.00 0.00 C ATOM 406 OE1 GLU A 25 60.125 5.620 4.232 1.00 0.00 O ATOM 407 OE2 GLU A 25 60.455 7.578 5.066 1.00 0.00 O ATOM 0 H GLU A 25 59.455 3.869 8.049 1.00 0.00 H new ATOM 0 HA GLU A 25 56.979 5.226 7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 25 59.067 4.001 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.684 4.909 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.390 6.892 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.727 5.989 7.191 1.00 0.00 H new ATOM 414 N LEU A 26 57.143 2.006 7.018 1.00 0.00 N ATOM 415 CA LEU A 26 56.339 0.828 6.713 1.00 0.00 C ATOM 416 C LEU A 26 55.232 0.651 7.748 1.00 0.00 C ATOM 417 O LEU A 26 54.098 0.318 7.407 1.00 0.00 O ATOM 418 CB LEU A 26 57.226 -0.418 6.694 1.00 0.00 C ATOM 419 CG LEU A 26 57.816 -0.604 5.295 1.00 0.00 C ATOM 420 CD1 LEU A 26 59.052 0.283 5.140 1.00 0.00 C ATOM 421 CD2 LEU A 26 58.212 -2.069 5.100 1.00 0.00 C ATOM 0 H LEU A 26 58.105 1.805 7.292 1.00 0.00 H new ATOM 0 HA LEU A 26 55.884 0.966 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 26 58.026 -0.319 7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.644 -1.296 6.974 1.00 0.00 H new ATOM 0 HG LEU A 26 57.073 -0.325 4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 26 59.472 0.150 4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 26 58.771 1.327 5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 26 59.795 0.005 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.633 -2.203 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 26 58.955 -2.348 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.331 -2.702 5.210 1.00 0.00 H new ATOM 433 N MET A 27 55.571 0.878 9.013 1.00 0.00 N ATOM 434 CA MET A 27 54.598 0.740 10.090 1.00 0.00 C ATOM 435 C MET A 27 53.388 1.635 9.836 1.00 0.00 C ATOM 436 O MET A 27 52.259 1.279 10.171 1.00 0.00 O ATOM 437 CB MET A 27 55.240 1.116 11.427 1.00 0.00 C ATOM 438 CG MET A 27 54.798 2.524 11.828 1.00 0.00 C ATOM 439 SD MET A 27 55.799 3.095 13.224 1.00 0.00 S ATOM 440 CE MET A 27 55.028 4.721 13.405 1.00 0.00 C ATOM 0 H MET A 27 56.504 1.156 9.316 1.00 0.00 H new ATOM 0 HA MET A 27 54.268 -0.298 10.125 1.00 0.00 H new ATOM 0 HB2 MET A 27 54.950 0.400 12.196 1.00 0.00 H new ATOM 0 HB3 MET A 27 56.326 1.074 11.345 1.00 0.00 H new ATOM 0 HG2 MET A 27 54.908 3.206 10.985 1.00 0.00 H new ATOM 0 HG3 MET A 27 53.743 2.522 12.100 1.00 0.00 H new ATOM 0 HE1 MET A 27 55.501 5.258 14.227 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.152 5.287 12.482 1.00 0.00 H new ATOM 0 HE3 MET A 27 53.965 4.599 13.615 1.00 0.00 H new ATOM 450 N GLN A 28 53.635 2.798 9.242 1.00 0.00 N ATOM 451 CA GLN A 28 52.559 3.737 8.947 1.00 0.00 C ATOM 452 C GLN A 28 51.633 3.174 7.873 1.00 0.00 C ATOM 453 O GLN A 28 50.413 3.295 7.967 1.00 0.00 O ATOM 454 CB GLN A 28 53.144 5.069 8.471 1.00 0.00 C ATOM 455 CG GLN A 28 52.043 6.131 8.448 1.00 0.00 C ATOM 456 CD GLN A 28 52.647 7.501 8.165 1.00 0.00 C ATOM 457 OE1 GLN A 28 53.746 7.595 7.617 1.00 0.00 O ATOM 458 NE2 GLN A 28 51.992 8.577 8.509 1.00 0.00 N ATOM 0 H GLN A 28 54.563 3.111 8.957 1.00 0.00 H new ATOM 0 HA GLN A 28 51.983 3.897 9.859 1.00 0.00 H new ATOM 0 HB2 GLN A 28 53.951 5.381 9.134 1.00 0.00 H new ATOM 0 HB3 GLN A 28 53.574 4.955 7.476 1.00 0.00 H new ATOM 0 HG2 GLN A 28 51.305 5.885 7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.520 6.145 9.404 1.00 0.00 H new ATOM 0 HE21 GLN A 28 51.082 8.497 8.963 1.00 0.00 H new ATOM 0 HE22 GLN A 28 52.390 9.498 8.324 1.00 0.00 H new ATOM 467 N GLY A 29 52.224 2.557 6.855 1.00 0.00 N ATOM 468 CA GLY A 29 51.442 1.978 5.769 1.00 0.00 C ATOM 469 C GLY A 29 51.105 0.520 6.058 1.00 0.00 C ATOM 470 O GLY A 29 50.167 -0.035 5.486 1.00 0.00 O ATOM 0 H GLY A 29 53.233 2.446 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 29 50.523 2.548 5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.001 2.048 4.836 1.00 0.00 H new ATOM 474 N PHE A 30 51.876 -0.096 6.947 1.00 0.00 N ATOM 475 CA PHE A 30 51.650 -1.491 7.304 1.00 0.00 C ATOM 476 C PHE A 30 50.879 -1.591 8.616 1.00 0.00 C ATOM 477 O PHE A 30 51.284 -1.021 9.629 1.00 0.00 O ATOM 478 CB PHE A 30 52.988 -2.220 7.440 1.00 0.00 C ATOM 479 CG PHE A 30 53.547 -2.508 6.067 1.00 0.00 C ATOM 480 CD1 PHE A 30 53.925 -1.452 5.229 1.00 0.00 C ATOM 481 CD2 PHE A 30 53.686 -3.831 5.631 1.00 0.00 C ATOM 482 CE1 PHE A 30 54.443 -1.718 3.957 1.00 0.00 C ATOM 483 CE2 PHE A 30 54.205 -4.098 4.359 1.00 0.00 C ATOM 484 CZ PHE A 30 54.583 -3.042 3.521 1.00 0.00 C ATOM 0 H PHE A 30 52.658 0.345 7.431 1.00 0.00 H new ATOM 0 HA PHE A 30 51.062 -1.957 6.513 1.00 0.00 H new ATOM 0 HB2 PHE A 30 53.690 -1.611 8.009 1.00 0.00 H new ATOM 0 HB3 PHE A 30 52.853 -3.150 7.992 1.00 0.00 H new ATOM 0 HD1 PHE A 30 53.817 -0.431 5.565 1.00 0.00 H new ATOM 0 HD2 PHE A 30 53.393 -4.646 6.276 1.00 0.00 H new ATOM 0 HE1 PHE A 30 54.735 -0.903 3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 30 54.314 -5.119 4.024 1.00 0.00 H new ATOM 0 HZ PHE A 30 54.982 -3.248 2.539 1.00 0.00 H new ATOM 494 N ASP A 31 49.768 -2.320 8.591 1.00 0.00 N ATOM 495 CA ASP A 31 48.949 -2.488 9.786 1.00 0.00 C ATOM 496 C ASP A 31 49.484 -3.627 10.646 1.00 0.00 C ATOM 497 O ASP A 31 49.179 -4.796 10.405 1.00 0.00 O ATOM 498 CB ASP A 31 47.501 -2.781 9.390 1.00 0.00 C ATOM 499 CG ASP A 31 46.822 -1.501 8.912 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.441 -0.454 9.009 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.694 -1.587 8.456 1.00 0.00 O ATOM 0 H ASP A 31 49.416 -2.801 7.763 1.00 0.00 H new ATOM 0 HA ASP A 31 48.987 -1.564 10.363 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.476 -3.532 8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.959 -3.194 10.241 1.00 0.00 H new ATOM 506 N ALA A 32 50.284 -3.280 11.649 1.00 0.00 N ATOM 507 CA ALA A 32 50.856 -4.283 12.539 1.00 0.00 C ATOM 508 C ALA A 32 52.033 -3.701 13.316 1.00 0.00 C ATOM 509 O ALA A 32 52.723 -2.803 12.834 1.00 0.00 O ATOM 510 CB ALA A 32 51.325 -5.494 11.730 1.00 0.00 C ATOM 0 H ALA A 32 50.549 -2.319 11.865 1.00 0.00 H new ATOM 0 HA ALA A 32 50.087 -4.595 13.246 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.751 -6.238 12.403 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.477 -5.927 11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 32 52.081 -5.180 11.011 1.00 0.00 H new ATOM 516 N GLU A 33 52.256 -4.218 14.520 1.00 0.00 N ATOM 517 CA GLU A 33 53.353 -3.741 15.353 1.00 0.00 C ATOM 518 C GLU A 33 54.585 -4.623 15.178 1.00 0.00 C ATOM 519 O GLU A 33 54.487 -5.850 15.181 1.00 0.00 O ATOM 520 CB GLU A 33 52.929 -3.739 16.824 1.00 0.00 C ATOM 521 CG GLU A 33 53.995 -3.032 17.662 1.00 0.00 C ATOM 522 CD GLU A 33 53.513 -2.884 19.100 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.371 -3.225 19.361 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.292 -2.428 19.922 1.00 0.00 O ATOM 0 H GLU A 33 51.696 -4.961 14.938 1.00 0.00 H new ATOM 0 HA GLU A 33 53.602 -2.726 15.045 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.969 -3.234 16.936 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.794 -4.762 17.176 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.925 -3.601 17.638 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.210 -2.051 17.239 1.00 0.00 H new ATOM 531 N VAL A 34 55.743 -3.990 15.026 1.00 0.00 N ATOM 532 CA VAL A 34 56.989 -4.728 14.851 1.00 0.00 C ATOM 533 C VAL A 34 57.841 -4.645 16.114 1.00 0.00 C ATOM 534 O VAL A 34 57.863 -3.619 16.794 1.00 0.00 O ATOM 535 CB VAL A 34 57.771 -4.158 13.667 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.211 -4.727 12.363 1.00 0.00 C ATOM 537 CG2 VAL A 34 57.639 -2.633 13.655 1.00 0.00 C ATOM 0 H VAL A 34 55.845 -2.975 15.020 1.00 0.00 H new ATOM 0 HA VAL A 34 56.748 -5.773 14.657 1.00 0.00 H new ATOM 0 HB VAL A 34 58.822 -4.432 13.761 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.769 -4.320 11.519 1.00 0.00 H new ATOM 0 HG12 VAL A 34 57.304 -5.813 12.370 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.160 -4.454 12.269 1.00 0.00 H new ATOM 0 HG21 VAL A 34 58.196 -2.226 12.811 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.588 -2.359 13.562 1.00 0.00 H new ATOM 0 HG23 VAL A 34 58.039 -2.226 14.584 1.00 0.00 H new ATOM 547 N LEU A 35 58.543 -5.731 16.421 1.00 0.00 N ATOM 548 CA LEU A 35 59.392 -5.770 17.605 1.00 0.00 C ATOM 549 C LEU A 35 60.643 -6.603 17.342 1.00 0.00 C ATOM 550 O LEU A 35 60.559 -7.726 16.844 1.00 0.00 O ATOM 551 CB LEU A 35 58.619 -6.364 18.783 1.00 0.00 C ATOM 552 CG LEU A 35 59.591 -6.695 19.917 1.00 0.00 C ATOM 553 CD1 LEU A 35 58.988 -6.252 21.251 1.00 0.00 C ATOM 554 CD2 LEU A 35 59.843 -8.204 19.948 1.00 0.00 C ATOM 0 H LEU A 35 58.541 -6.590 15.871 1.00 0.00 H new ATOM 0 HA LEU A 35 59.693 -4.750 17.846 1.00 0.00 H new ATOM 0 HB2 LEU A 35 57.865 -5.657 19.130 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.091 -7.264 18.468 1.00 0.00 H new ATOM 0 HG LEU A 35 60.533 -6.172 19.752 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.680 -6.488 22.059 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.807 -5.177 21.230 1.00 0.00 H new ATOM 0 HD13 LEU A 35 58.046 -6.775 21.416 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.536 -8.441 20.756 1.00 0.00 H new ATOM 0 HD22 LEU A 35 58.901 -8.727 20.113 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.272 -8.521 18.998 1.00 0.00 H new ATOM 566 N LEU A 36 61.801 -6.045 17.679 1.00 0.00 N ATOM 567 CA LEU A 36 63.064 -6.746 17.476 1.00 0.00 C ATOM 568 C LEU A 36 63.634 -7.219 18.810 1.00 0.00 C ATOM 569 O LEU A 36 63.364 -6.628 19.855 1.00 0.00 O ATOM 570 CB LEU A 36 64.070 -5.822 16.787 1.00 0.00 C ATOM 571 CG LEU A 36 63.503 -5.360 15.443 1.00 0.00 C ATOM 572 CD1 LEU A 36 64.020 -3.956 15.128 1.00 0.00 C ATOM 573 CD2 LEU A 36 63.951 -6.326 14.344 1.00 0.00 C ATOM 0 H LEU A 36 61.892 -5.116 18.091 1.00 0.00 H new ATOM 0 HA LEU A 36 62.879 -7.615 16.844 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.281 -4.960 17.420 1.00 0.00 H new ATOM 0 HB3 LEU A 36 65.014 -6.344 16.635 1.00 0.00 H new ATOM 0 HG LEU A 36 62.414 -5.344 15.493 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.617 -3.626 14.171 1.00 0.00 H new ATOM 0 HD12 LEU A 36 63.704 -3.268 15.912 1.00 0.00 H new ATOM 0 HD13 LEU A 36 65.109 -3.972 15.077 1.00 0.00 H new ATOM 0 HD21 LEU A 36 63.548 -5.999 13.386 1.00 0.00 H new ATOM 0 HD22 LEU A 36 65.040 -6.341 14.294 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.585 -7.328 14.569 1.00 0.00 H new ATOM 585 N ARG A 37 64.422 -8.288 18.766 1.00 0.00 N ATOM 586 CA ARG A 37 65.023 -8.831 19.978 1.00 0.00 C ATOM 587 C ARG A 37 66.372 -9.472 19.666 1.00 0.00 C ATOM 588 O ARG A 37 66.505 -10.222 18.701 1.00 0.00 O ATOM 589 CB ARG A 37 64.092 -9.873 20.601 1.00 0.00 C ATOM 590 CG ARG A 37 63.083 -9.175 21.514 1.00 0.00 C ATOM 591 CD ARG A 37 61.945 -10.141 21.851 1.00 0.00 C ATOM 592 NE ARG A 37 62.469 -11.318 22.533 1.00 0.00 N ATOM 593 CZ ARG A 37 61.733 -12.415 22.674 1.00 0.00 C ATOM 594 NH1 ARG A 37 62.224 -13.456 23.289 1.00 0.00 N ATOM 595 NH2 ARG A 37 60.518 -12.451 22.197 1.00 0.00 N ATOM 0 H ARG A 37 64.658 -8.792 17.911 1.00 0.00 H new ATOM 0 HA ARG A 37 65.176 -8.014 20.683 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.570 -10.424 19.819 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.671 -10.600 21.170 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.574 -8.842 22.428 1.00 0.00 H new ATOM 0 HG3 ARG A 37 62.686 -8.286 21.023 1.00 0.00 H new ATOM 0 HD2 ARG A 37 61.210 -9.642 22.483 1.00 0.00 H new ATOM 0 HD3 ARG A 37 61.430 -10.440 20.938 1.00 0.00 H new ATOM 0 HE ARG A 37 63.417 -11.299 22.908 1.00 0.00 H new ATOM 0 HH11 ARG A 37 63.173 -13.428 23.662 1.00 0.00 H new ATOM 0 HH12 ARG A 37 61.659 -14.298 23.397 1.00 0.00 H new ATOM 0 HH21 ARG A 37 60.134 -11.637 21.716 1.00 0.00 H new ATOM 0 HH22 ARG A 37 59.952 -13.293 22.305 1.00 0.00 H new ATOM 609 N ASN A 38 67.370 -9.170 20.493 1.00 0.00 N ATOM 610 CA ASN A 38 68.704 -9.722 20.296 1.00 0.00 C ATOM 611 C ASN A 38 68.883 -10.997 21.115 1.00 0.00 C ATOM 612 O ASN A 38 68.180 -11.215 22.102 1.00 0.00 O ATOM 613 CB ASN A 38 69.761 -8.695 20.709 1.00 0.00 C ATOM 614 CG ASN A 38 69.776 -7.536 19.718 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.200 -7.637 18.636 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.406 -6.435 20.027 1.00 0.00 N ATOM 0 H ASN A 38 67.280 -8.551 21.299 1.00 0.00 H new ATOM 0 HA ASN A 38 68.825 -9.962 19.240 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.548 -8.324 21.712 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.743 -9.166 20.745 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.422 -5.655 19.370 1.00 0.00 H new ATOM 0 HD22 ASN A 38 70.883 -6.355 20.925 1.00 0.00 H new ATOM 623 N ASP A 39 69.827 -11.834 20.700 1.00 0.00 N ATOM 624 CA ASP A 39 70.090 -13.084 21.404 1.00 0.00 C ATOM 625 C ASP A 39 70.294 -12.828 22.894 1.00 0.00 C ATOM 626 O ASP A 39 69.958 -13.667 23.730 1.00 0.00 O ATOM 627 CB ASP A 39 71.335 -13.759 20.826 1.00 0.00 C ATOM 628 CG ASP A 39 71.523 -15.135 21.456 1.00 0.00 C ATOM 629 OD1 ASP A 39 70.813 -15.432 22.402 1.00 0.00 O ATOM 630 OD2 ASP A 39 72.372 -15.870 20.981 1.00 0.00 O ATOM 0 H ASP A 39 70.419 -11.672 19.886 1.00 0.00 H new ATOM 0 HA ASP A 39 69.229 -13.739 21.274 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.237 -13.855 19.745 1.00 0.00 H new ATOM 0 HB3 ASP A 39 72.213 -13.141 21.013 1.00 0.00 H new ATOM 635 N GLU A 40 70.845 -11.663 23.218 1.00 0.00 N ATOM 636 CA GLU A 40 71.090 -11.306 24.612 1.00 0.00 C ATOM 637 C GLU A 40 69.771 -11.091 25.349 1.00 0.00 C ATOM 638 O GLU A 40 69.754 -10.874 26.560 1.00 0.00 O ATOM 639 CB GLU A 40 71.931 -10.031 24.685 1.00 0.00 C ATOM 640 CG GLU A 40 73.354 -10.330 24.211 1.00 0.00 C ATOM 641 CD GLU A 40 73.353 -10.636 22.718 1.00 0.00 C ATOM 642 OE1 GLU A 40 72.486 -10.125 22.029 1.00 0.00 O ATOM 643 OE2 GLU A 40 74.220 -11.376 22.284 1.00 0.00 O ATOM 0 H GLU A 40 71.129 -10.955 22.541 1.00 0.00 H new ATOM 0 HA GLU A 40 71.630 -12.124 25.088 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.486 -9.253 24.065 1.00 0.00 H new ATOM 0 HB3 GLU A 40 71.949 -9.653 25.707 1.00 0.00 H new ATOM 0 HG2 GLU A 40 74.001 -9.477 24.415 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.760 -11.177 24.764 1.00 0.00 H new ATOM 650 N GLY A 41 68.669 -11.154 24.609 1.00 0.00 N ATOM 651 CA GLY A 41 67.350 -10.964 25.204 1.00 0.00 C ATOM 652 C GLY A 41 67.032 -9.482 25.362 1.00 0.00 C ATOM 653 O GLY A 41 66.175 -9.102 26.160 1.00 0.00 O ATOM 0 H GLY A 41 68.661 -11.333 23.605 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.593 -11.438 24.579 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.312 -11.454 26.177 1.00 0.00 H new ATOM 657 N THR A 42 67.728 -8.647 24.596 1.00 0.00 N ATOM 658 CA THR A 42 67.510 -7.206 24.661 1.00 0.00 C ATOM 659 C THR A 42 66.387 -6.791 23.716 1.00 0.00 C ATOM 660 O THR A 42 66.520 -6.894 22.496 1.00 0.00 O ATOM 661 CB THR A 42 68.797 -6.466 24.285 1.00 0.00 C ATOM 662 OG1 THR A 42 69.644 -6.387 25.423 1.00 0.00 O ATOM 663 CG2 THR A 42 68.454 -5.056 23.802 1.00 0.00 C ATOM 0 H THR A 42 68.442 -8.940 23.929 1.00 0.00 H new ATOM 0 HA THR A 42 67.226 -6.945 25.681 1.00 0.00 H new ATOM 0 HB THR A 42 69.308 -7.005 23.488 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.469 -5.915 25.184 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.370 -4.530 23.535 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.804 -5.118 22.929 1.00 0.00 H new ATOM 0 HG23 THR A 42 67.943 -4.513 24.597 1.00 0.00 H new ATOM 671 N GLU A 43 65.283 -6.321 24.286 1.00 0.00 N ATOM 672 CA GLU A 43 64.143 -5.894 23.484 1.00 0.00 C ATOM 673 C GLU A 43 64.436 -4.561 22.804 1.00 0.00 C ATOM 674 O GLU A 43 64.429 -3.510 23.446 1.00 0.00 O ATOM 675 CB GLU A 43 62.904 -5.754 24.371 1.00 0.00 C ATOM 676 CG GLU A 43 61.710 -5.327 23.516 1.00 0.00 C ATOM 677 CD GLU A 43 60.445 -5.290 24.367 1.00 0.00 C ATOM 678 OE1 GLU A 43 60.544 -5.569 25.551 1.00 0.00 O ATOM 679 OE2 GLU A 43 59.397 -4.984 23.823 1.00 0.00 O ATOM 0 H GLU A 43 65.154 -6.226 25.293 1.00 0.00 H new ATOM 0 HA GLU A 43 63.959 -6.647 22.718 1.00 0.00 H new ATOM 0 HB2 GLU A 43 62.690 -6.701 24.867 1.00 0.00 H new ATOM 0 HB3 GLU A 43 63.086 -5.018 25.154 1.00 0.00 H new ATOM 0 HG2 GLU A 43 61.896 -4.344 23.083 1.00 0.00 H new ATOM 0 HG3 GLU A 43 61.580 -6.022 22.686 1.00 0.00 H new ATOM 686 N ALA A 44 64.692 -4.611 21.501 1.00 0.00 N ATOM 687 CA ALA A 44 64.986 -3.400 20.743 1.00 0.00 C ATOM 688 C ALA A 44 63.744 -2.920 19.999 1.00 0.00 C ATOM 689 O ALA A 44 63.622 -3.106 18.789 1.00 0.00 O ATOM 690 CB ALA A 44 66.109 -3.671 19.740 1.00 0.00 C ATOM 0 H ALA A 44 64.702 -5.470 20.951 1.00 0.00 H new ATOM 0 HA ALA A 44 65.301 -2.625 21.441 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.322 -2.762 19.178 1.00 0.00 H new ATOM 0 HB2 ALA A 44 67.005 -3.986 20.274 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.800 -4.458 19.052 1.00 0.00 H new ATOM 696 N GLU A 45 62.824 -2.301 20.732 1.00 0.00 N ATOM 697 CA GLU A 45 61.594 -1.797 20.130 1.00 0.00 C ATOM 698 C GLU A 45 61.887 -1.135 18.788 1.00 0.00 C ATOM 699 O GLU A 45 62.666 -0.184 18.710 1.00 0.00 O ATOM 700 CB GLU A 45 60.927 -0.792 21.071 1.00 0.00 C ATOM 701 CG GLU A 45 60.337 -1.532 22.272 1.00 0.00 C ATOM 702 CD GLU A 45 59.844 -0.531 23.311 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.126 -0.942 24.208 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.191 0.633 23.195 1.00 0.00 O ATOM 0 H GLU A 45 62.905 -2.137 21.735 1.00 0.00 H new ATOM 0 HA GLU A 45 60.919 -2.637 19.964 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.655 -0.054 21.407 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.143 -0.249 20.544 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.513 -2.168 21.949 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.090 -2.185 22.713 1.00 0.00 H new ATOM 711 N ALA A 46 61.256 -1.642 17.734 1.00 0.00 N ATOM 712 CA ALA A 46 61.457 -1.091 16.399 1.00 0.00 C ATOM 713 C ALA A 46 60.854 0.307 16.302 1.00 0.00 C ATOM 714 O ALA A 46 60.968 0.972 15.272 1.00 0.00 O ATOM 715 CB ALA A 46 60.808 -2.002 15.355 1.00 0.00 C ATOM 0 H ALA A 46 60.606 -2.427 17.777 1.00 0.00 H new ATOM 0 HA ALA A 46 62.528 -1.027 16.209 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.963 -1.583 14.360 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.259 -2.993 15.406 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.739 -2.080 15.554 1.00 0.00 H new ATOM 721 N ASN A 47 60.214 0.746 17.379 1.00 0.00 N ATOM 722 CA ASN A 47 59.597 2.068 17.405 1.00 0.00 C ATOM 723 C ASN A 47 60.386 3.009 18.309 1.00 0.00 C ATOM 724 O ASN A 47 59.868 4.033 18.758 1.00 0.00 O ATOM 725 CB ASN A 47 58.156 1.961 17.908 1.00 0.00 C ATOM 726 CG ASN A 47 57.360 1.019 17.014 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.501 1.053 15.791 1.00 0.00 O ATOM 728 ND2 ASN A 47 56.524 0.172 17.552 1.00 0.00 N ATOM 0 H ASN A 47 60.109 0.211 18.241 1.00 0.00 H new ATOM 0 HA ASN A 47 59.599 2.470 16.392 1.00 0.00 H new ATOM 0 HB2 ASN A 47 58.147 1.595 18.935 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.691 2.947 17.917 1.00 0.00 H new ATOM 0 HD21 ASN A 47 55.988 -0.462 16.959 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.407 0.144 18.565 1.00 0.00 H new ATOM 735 N SER A 48 61.639 2.658 18.573 1.00 0.00 N ATOM 736 CA SER A 48 62.490 3.480 19.424 1.00 0.00 C ATOM 737 C SER A 48 63.889 3.600 18.828 1.00 0.00 C ATOM 738 O SER A 48 64.507 2.600 18.465 1.00 0.00 O ATOM 739 CB SER A 48 62.580 2.866 20.821 1.00 0.00 C ATOM 740 OG SER A 48 61.333 3.023 21.485 1.00 0.00 O ATOM 0 H SER A 48 62.086 1.815 18.212 1.00 0.00 H new ATOM 0 HA SER A 48 62.050 4.475 19.492 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.837 1.809 20.750 1.00 0.00 H new ATOM 0 HB3 SER A 48 63.373 3.349 21.393 1.00 0.00 H new ATOM 0 HG SER A 48 61.122 2.205 21.982 1.00 0.00 H new ATOM 746 N VAL A 49 64.382 4.831 18.732 1.00 0.00 N ATOM 747 CA VAL A 49 65.709 5.071 18.178 1.00 0.00 C ATOM 748 C VAL A 49 66.784 4.499 19.099 1.00 0.00 C ATOM 749 O VAL A 49 67.829 4.039 18.638 1.00 0.00 O ATOM 750 CB VAL A 49 65.936 6.572 17.997 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.214 7.049 16.736 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.385 7.321 19.213 1.00 0.00 C ATOM 0 H VAL A 49 63.886 5.672 19.028 1.00 0.00 H new ATOM 0 HA VAL A 49 65.774 4.575 17.209 1.00 0.00 H new ATOM 0 HB VAL A 49 67.004 6.769 17.901 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.376 8.119 16.607 1.00 0.00 H new ATOM 0 HG12 VAL A 49 65.605 6.516 15.869 1.00 0.00 H new ATOM 0 HG13 VAL A 49 64.146 6.852 16.832 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.546 8.391 19.085 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.317 7.124 19.309 1.00 0.00 H new ATOM 0 HG23 VAL A 49 65.898 6.982 20.113 1.00 0.00 H new ATOM 762 N ILE A 50 66.519 4.533 20.401 1.00 0.00 N ATOM 763 CA ILE A 50 67.471 4.017 21.377 1.00 0.00 C ATOM 764 C ILE A 50 67.729 2.533 21.142 1.00 0.00 C ATOM 765 O ILE A 50 68.856 2.058 21.284 1.00 0.00 O ATOM 766 CB ILE A 50 66.931 4.224 22.793 1.00 0.00 C ATOM 767 CG1 ILE A 50 66.887 5.721 23.106 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.845 3.521 23.797 1.00 0.00 C ATOM 769 CD1 ILE A 50 66.018 5.959 24.343 1.00 0.00 C ATOM 0 H ILE A 50 65.660 4.909 20.802 1.00 0.00 H new ATOM 0 HA ILE A 50 68.409 4.560 21.263 1.00 0.00 H new ATOM 0 HB ILE A 50 65.927 3.806 22.863 1.00 0.00 H new ATOM 0 HG12 ILE A 50 67.895 6.097 23.279 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.484 6.270 22.255 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.459 3.669 24.806 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.878 2.455 23.574 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.850 3.938 23.728 1.00 0.00 H new ATOM 0 HD11 ILE A 50 65.987 7.025 24.566 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.007 5.598 24.152 1.00 0.00 H new ATOM 0 HD13 ILE A 50 66.440 5.423 25.193 1.00 0.00 H new ATOM 781 N ALA A 51 66.679 1.804 20.780 1.00 0.00 N ATOM 782 CA ALA A 51 66.804 0.373 20.527 1.00 0.00 C ATOM 783 C ALA A 51 67.649 0.121 19.281 1.00 0.00 C ATOM 784 O ALA A 51 68.479 -0.787 19.256 1.00 0.00 O ATOM 785 CB ALA A 51 65.418 -0.247 20.340 1.00 0.00 C ATOM 0 H ALA A 51 65.738 2.177 20.656 1.00 0.00 H new ATOM 0 HA ALA A 51 67.295 -0.087 21.384 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.520 -1.316 20.151 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.826 -0.092 21.242 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.920 0.225 19.493 1.00 0.00 H new ATOM 791 N LEU A 52 67.430 0.930 18.251 1.00 0.00 N ATOM 792 CA LEU A 52 68.177 0.786 17.007 1.00 0.00 C ATOM 793 C LEU A 52 69.678 0.857 17.271 1.00 0.00 C ATOM 794 O LEU A 52 70.460 0.123 16.669 1.00 0.00 O ATOM 795 CB LEU A 52 67.776 1.889 16.026 1.00 0.00 C ATOM 796 CG LEU A 52 68.485 1.666 14.689 1.00 0.00 C ATOM 797 CD1 LEU A 52 68.132 0.279 14.148 1.00 0.00 C ATOM 798 CD2 LEU A 52 68.033 2.732 13.689 1.00 0.00 C ATOM 0 H LEU A 52 66.747 1.687 18.252 1.00 0.00 H new ATOM 0 HA LEU A 52 67.942 -0.187 16.575 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.696 1.887 15.882 1.00 0.00 H new ATOM 0 HB3 LEU A 52 68.041 2.865 16.432 1.00 0.00 H new ATOM 0 HG LEU A 52 69.563 1.736 14.834 1.00 0.00 H new ATOM 0 HD11 LEU A 52 68.637 0.121 13.195 1.00 0.00 H new ATOM 0 HD12 LEU A 52 68.453 -0.482 14.860 1.00 0.00 H new ATOM 0 HD13 LEU A 52 67.054 0.209 14.003 1.00 0.00 H new ATOM 0 HD21 LEU A 52 68.538 2.574 12.736 1.00 0.00 H new ATOM 0 HD22 LEU A 52 66.955 2.662 13.545 1.00 0.00 H new ATOM 0 HD23 LEU A 52 68.284 3.721 14.073 1.00 0.00 H new ATOM 810 N LEU A 53 70.073 1.749 18.174 1.00 0.00 N ATOM 811 CA LEU A 53 71.483 1.908 18.509 1.00 0.00 C ATOM 812 C LEU A 53 72.029 0.636 19.148 1.00 0.00 C ATOM 813 O LEU A 53 73.159 0.229 18.876 1.00 0.00 O ATOM 814 CB LEU A 53 71.661 3.083 19.474 1.00 0.00 C ATOM 815 CG LEU A 53 72.155 4.307 18.703 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.135 5.531 19.621 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.585 4.060 18.217 1.00 0.00 C ATOM 0 H LEU A 53 69.442 2.368 18.683 1.00 0.00 H new ATOM 0 HA LEU A 53 72.035 2.105 17.590 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.716 3.308 19.967 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.374 2.820 20.256 1.00 0.00 H new ATOM 0 HG LEU A 53 71.504 4.484 17.847 1.00 0.00 H new ATOM 0 HD11 LEU A 53 72.487 6.404 19.071 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.117 5.708 19.969 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.786 5.354 20.477 1.00 0.00 H new ATOM 0 HD21 LEU A 53 73.938 4.932 17.667 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.235 3.884 19.074 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.602 3.188 17.563 1.00 0.00 H new ATOM 829 N MET A 54 71.221 0.012 19.998 1.00 0.00 N ATOM 830 CA MET A 54 71.635 -1.215 20.671 1.00 0.00 C ATOM 831 C MET A 54 71.793 -2.350 19.664 1.00 0.00 C ATOM 832 O MET A 54 72.687 -3.186 19.792 1.00 0.00 O ATOM 833 CB MET A 54 70.599 -1.606 21.727 1.00 0.00 C ATOM 834 CG MET A 54 70.599 -0.568 22.851 1.00 0.00 C ATOM 835 SD MET A 54 72.075 -0.790 23.875 1.00 0.00 S ATOM 836 CE MET A 54 71.702 0.498 25.092 1.00 0.00 C ATOM 0 H MET A 54 70.282 0.332 20.237 1.00 0.00 H new ATOM 0 HA MET A 54 72.596 -1.037 21.154 1.00 0.00 H new ATOM 0 HB2 MET A 54 69.609 -1.668 21.275 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.828 -2.593 22.129 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.582 0.438 22.432 1.00 0.00 H new ATOM 0 HG3 MET A 54 69.701 -0.675 23.460 1.00 0.00 H new ATOM 0 HE1 MET A 54 72.498 0.538 25.835 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.626 1.462 24.590 1.00 0.00 H new ATOM 0 HE3 MET A 54 70.757 0.270 25.585 1.00 0.00 H new ATOM 846 N LEU A 55 70.919 -2.373 18.663 1.00 0.00 N ATOM 847 CA LEU A 55 70.971 -3.412 17.641 1.00 0.00 C ATOM 848 C LEU A 55 72.278 -3.328 16.859 1.00 0.00 C ATOM 849 O LEU A 55 72.843 -4.349 16.465 1.00 0.00 O ATOM 850 CB LEU A 55 69.789 -3.260 16.681 1.00 0.00 C ATOM 851 CG LEU A 55 68.484 -3.535 17.429 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.297 -3.218 16.518 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.432 -5.008 17.839 1.00 0.00 C ATOM 0 H LEU A 55 70.172 -1.690 18.538 1.00 0.00 H new ATOM 0 HA LEU A 55 70.916 -4.383 18.133 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.775 -2.254 16.262 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.894 -3.952 15.846 1.00 0.00 H new ATOM 0 HG LEU A 55 68.437 -2.908 18.319 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.367 -3.414 17.051 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.333 -2.169 16.225 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.344 -3.845 15.628 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.502 -5.205 18.372 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.480 -5.635 16.949 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.278 -5.235 18.488 1.00 0.00 H new ATOM 865 N ASP A 56 72.753 -2.107 16.639 1.00 0.00 N ATOM 866 CA ASP A 56 73.995 -1.901 15.902 1.00 0.00 C ATOM 867 C ASP A 56 75.108 -2.769 16.479 1.00 0.00 C ATOM 868 O ASP A 56 75.972 -3.255 15.748 1.00 0.00 O ATOM 869 CB ASP A 56 74.405 -0.429 15.970 1.00 0.00 C ATOM 870 CG ASP A 56 75.572 -0.169 15.024 1.00 0.00 C ATOM 871 OD1 ASP A 56 76.116 -1.131 14.508 1.00 0.00 O ATOM 872 OD2 ASP A 56 75.905 0.988 14.830 1.00 0.00 O ATOM 0 H ASP A 56 72.301 -1.250 16.958 1.00 0.00 H new ATOM 0 HA ASP A 56 73.831 -2.183 14.862 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.560 0.205 15.701 1.00 0.00 H new ATOM 0 HB3 ASP A 56 74.688 -0.168 16.990 1.00 0.00 H new ATOM 877 N SER A 57 75.083 -2.960 17.794 1.00 0.00 N ATOM 878 CA SER A 57 76.097 -3.771 18.459 1.00 0.00 C ATOM 879 C SER A 57 75.868 -5.253 18.173 1.00 0.00 C ATOM 880 O SER A 57 76.705 -6.094 18.500 1.00 0.00 O ATOM 881 CB SER A 57 76.053 -3.528 19.967 1.00 0.00 C ATOM 882 OG SER A 57 74.835 -4.042 20.491 1.00 0.00 O ATOM 0 H SER A 57 74.377 -2.567 18.417 1.00 0.00 H new ATOM 0 HA SER A 57 77.076 -3.484 18.074 1.00 0.00 H new ATOM 0 HB2 SER A 57 76.902 -4.011 20.450 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.131 -2.461 20.177 1.00 0.00 H new ATOM 0 HG SER A 57 74.124 -3.377 20.380 1.00 0.00 H new ATOM 888 N ALA A 58 74.729 -5.564 17.562 1.00 0.00 N ATOM 889 CA ALA A 58 74.401 -6.947 17.238 1.00 0.00 C ATOM 890 C ALA A 58 75.043 -7.354 15.916 1.00 0.00 C ATOM 891 O ALA A 58 74.509 -8.190 15.187 1.00 0.00 O ATOM 892 CB ALA A 58 72.883 -7.116 17.145 1.00 0.00 C ATOM 0 H ALA A 58 74.023 -4.883 17.283 1.00 0.00 H new ATOM 0 HA ALA A 58 74.789 -7.588 18.029 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.646 -8.152 16.903 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.429 -6.854 18.100 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.491 -6.462 16.366 1.00 0.00 H new ATOM 898 N LYS A 59 76.193 -6.758 15.614 1.00 0.00 N ATOM 899 CA LYS A 59 76.899 -7.066 14.376 1.00 0.00 C ATOM 900 C LYS A 59 77.501 -8.467 14.437 1.00 0.00 C ATOM 901 O LYS A 59 78.560 -8.673 15.031 1.00 0.00 O ATOM 902 CB LYS A 59 78.010 -6.042 14.140 1.00 0.00 C ATOM 903 CG LYS A 59 78.657 -6.294 12.777 1.00 0.00 C ATOM 904 CD LYS A 59 79.713 -5.221 12.506 1.00 0.00 C ATOM 905 CE LYS A 59 80.319 -5.439 11.119 1.00 0.00 C ATOM 906 NZ LYS A 59 81.029 -6.749 11.086 1.00 0.00 N ATOM 0 H LYS A 59 76.652 -6.065 16.205 1.00 0.00 H new ATOM 0 HA LYS A 59 76.186 -7.024 13.553 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.602 -5.032 14.179 1.00 0.00 H new ATOM 0 HB3 LYS A 59 78.759 -6.114 14.929 1.00 0.00 H new ATOM 0 HG2 LYS A 59 79.115 -7.283 12.757 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.899 -6.278 11.994 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.263 -4.230 12.566 1.00 0.00 H new ATOM 0 HD3 LYS A 59 80.493 -5.264 13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.536 -5.419 10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 59 81.012 -4.632 10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.672 -6.775 10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 81.577 -6.869 11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.334 -7.519 11.004 1.00 0.00 H new ATOM 920 N GLY A 60 76.819 -9.426 13.821 1.00 0.00 N ATOM 921 CA GLY A 60 77.295 -10.805 13.812 1.00 0.00 C ATOM 922 C GLY A 60 76.528 -11.653 14.818 1.00 0.00 C ATOM 923 O GLY A 60 76.801 -12.843 14.979 1.00 0.00 O ATOM 0 H GLY A 60 75.941 -9.276 13.324 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.181 -11.227 12.813 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.359 -10.828 14.048 1.00 0.00 H new ATOM 927 N ARG A 61 75.564 -11.035 15.494 1.00 0.00 N ATOM 928 CA ARG A 61 74.761 -11.745 16.483 1.00 0.00 C ATOM 929 C ARG A 61 73.408 -12.133 15.896 1.00 0.00 C ATOM 930 O ARG A 61 73.034 -11.675 14.817 1.00 0.00 O ATOM 931 CB ARG A 61 74.552 -10.863 17.715 1.00 0.00 C ATOM 932 CG ARG A 61 75.909 -10.443 18.280 1.00 0.00 C ATOM 933 CD ARG A 61 75.729 -9.906 19.701 1.00 0.00 C ATOM 934 NE ARG A 61 76.982 -9.347 20.193 1.00 0.00 N ATOM 935 CZ ARG A 61 77.952 -10.131 20.653 1.00 0.00 C ATOM 936 NH1 ARG A 61 79.065 -9.607 21.087 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.790 -11.426 20.671 1.00 0.00 N ATOM 0 H ARG A 61 75.321 -10.051 15.376 1.00 0.00 H new ATOM 0 HA ARG A 61 75.292 -12.652 16.772 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.969 -9.981 17.449 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.984 -11.405 18.471 1.00 0.00 H new ATOM 0 HG2 ARG A 61 76.591 -11.293 18.285 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.358 -9.679 17.646 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.952 -9.141 19.712 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.397 -10.708 20.361 1.00 0.00 H new ATOM 0 HE ARG A 61 77.117 -8.336 20.184 1.00 0.00 H new ATOM 0 HH11 ARG A 61 79.192 -8.595 21.074 1.00 0.00 H new ATOM 0 HH12 ARG A 61 79.809 -10.209 21.440 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.920 -11.836 20.332 1.00 0.00 H new ATOM 0 HH22 ARG A 61 78.534 -12.028 21.024 1.00 0.00 H new ATOM 951 N GLN A 62 72.678 -12.980 16.614 1.00 0.00 N ATOM 952 CA GLN A 62 71.367 -13.423 16.154 1.00 0.00 C ATOM 953 C GLN A 62 70.261 -12.630 16.842 1.00 0.00 C ATOM 954 O GLN A 62 70.366 -12.293 18.022 1.00 0.00 O ATOM 955 CB GLN A 62 71.187 -14.914 16.448 1.00 0.00 C ATOM 956 CG GLN A 62 72.108 -15.729 15.538 1.00 0.00 C ATOM 957 CD GLN A 62 72.033 -17.206 15.909 1.00 0.00 C ATOM 958 OE1 GLN A 62 71.807 -17.545 17.070 1.00 0.00 O ATOM 959 NE2 GLN A 62 72.210 -18.111 14.985 1.00 0.00 N ATOM 0 H GLN A 62 72.969 -13.371 17.510 1.00 0.00 H new ATOM 0 HA GLN A 62 71.304 -13.254 15.079 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.417 -15.120 17.494 1.00 0.00 H new ATOM 0 HB3 GLN A 62 70.149 -15.205 16.287 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.818 -15.592 14.496 1.00 0.00 H new ATOM 0 HG3 GLN A 62 73.134 -15.373 15.633 1.00 0.00 H new ATOM 0 HE21 GLN A 62 72.397 -17.828 14.023 1.00 0.00 H new ATOM 0 HE22 GLN A 62 72.161 -19.101 15.225 1.00 0.00 H new ATOM 968 N ILE A 63 69.201 -12.334 16.096 1.00 0.00 N ATOM 969 CA ILE A 63 68.080 -11.578 16.645 1.00 0.00 C ATOM 970 C ILE A 63 66.758 -12.259 16.306 1.00 0.00 C ATOM 971 O ILE A 63 66.696 -13.108 15.417 1.00 0.00 O ATOM 972 CB ILE A 63 68.083 -10.156 16.083 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.835 -10.206 14.573 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.440 -9.503 16.352 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.806 -8.783 14.013 1.00 0.00 C ATOM 0 H ILE A 63 69.095 -12.603 15.118 1.00 0.00 H new ATOM 0 HA ILE A 63 68.188 -11.539 17.729 1.00 0.00 H new ATOM 0 HB ILE A 63 67.297 -9.574 16.564 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.619 -10.785 14.084 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.891 -10.709 14.365 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.442 -8.489 15.951 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.621 -9.469 17.426 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.226 -10.085 15.870 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.629 -8.819 12.938 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.007 -8.219 14.494 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.761 -8.296 14.208 1.00 0.00 H new ATOM 987 N GLU A 64 65.703 -11.880 17.019 1.00 0.00 N ATOM 988 CA GLU A 64 64.386 -12.460 16.784 1.00 0.00 C ATOM 989 C GLU A 64 63.368 -11.369 16.466 1.00 0.00 C ATOM 990 O GLU A 64 62.889 -10.673 17.361 1.00 0.00 O ATOM 991 CB GLU A 64 63.930 -13.241 18.018 1.00 0.00 C ATOM 992 CG GLU A 64 65.138 -13.918 18.668 1.00 0.00 C ATOM 993 CD GLU A 64 64.681 -14.793 19.831 1.00 0.00 C ATOM 994 OE1 GLU A 64 64.038 -15.797 19.575 1.00 0.00 O ATOM 995 OE2 GLU A 64 64.982 -14.446 20.961 1.00 0.00 O ATOM 0 H GLU A 64 65.733 -11.179 17.759 1.00 0.00 H new ATOM 0 HA GLU A 64 64.456 -13.136 15.932 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.449 -12.569 18.730 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.189 -13.989 17.735 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.666 -14.524 17.932 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.841 -13.164 19.023 1.00 0.00 H new ATOM 1002 N VAL A 65 63.043 -11.225 15.185 1.00 0.00 N ATOM 1003 CA VAL A 65 62.080 -10.215 14.760 1.00 0.00 C ATOM 1004 C VAL A 65 60.654 -10.724 14.942 1.00 0.00 C ATOM 1005 O VAL A 65 60.322 -11.833 14.523 1.00 0.00 O ATOM 1006 CB VAL A 65 62.312 -9.857 13.292 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.437 -8.662 12.913 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.785 -9.496 13.083 1.00 0.00 C ATOM 0 H VAL A 65 63.429 -11.790 14.428 1.00 0.00 H new ATOM 0 HA VAL A 65 62.218 -9.327 15.376 1.00 0.00 H new ATOM 0 HB VAL A 65 62.053 -10.710 12.665 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.603 -8.407 11.866 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.388 -8.917 13.063 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.696 -7.808 13.540 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.952 -9.240 12.037 1.00 0.00 H new ATOM 0 HG22 VAL A 65 64.043 -8.643 13.711 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.410 -10.347 13.353 1.00 0.00 H new ATOM 1018 N GLU A 66 59.814 -9.906 15.569 1.00 0.00 N ATOM 1019 CA GLU A 66 58.425 -10.285 15.801 1.00 0.00 C ATOM 1020 C GLU A 66 57.482 -9.195 15.303 1.00 0.00 C ATOM 1021 O GLU A 66 57.760 -8.005 15.451 1.00 0.00 O ATOM 1022 CB GLU A 66 58.190 -10.522 17.294 1.00 0.00 C ATOM 1023 CG GLU A 66 56.696 -10.725 17.551 1.00 0.00 C ATOM 1024 CD GLU A 66 56.480 -11.292 18.951 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.420 -11.272 19.728 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.377 -11.737 19.224 1.00 0.00 O ATOM 0 H GLU A 66 60.068 -8.984 15.923 1.00 0.00 H new ATOM 0 HA GLU A 66 58.223 -11.204 15.251 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.749 -11.397 17.626 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.556 -9.672 17.870 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.169 -9.777 17.448 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.279 -11.403 16.807 1.00 0.00 H new ATOM 1033 N ALA A 67 56.367 -9.608 14.711 1.00 0.00 N ATOM 1034 CA ALA A 67 55.389 -8.657 14.195 1.00 0.00 C ATOM 1035 C ALA A 67 53.970 -9.145 14.466 1.00 0.00 C ATOM 1036 O ALA A 67 53.686 -10.340 14.379 1.00 0.00 O ATOM 1037 CB ALA A 67 55.587 -8.471 12.689 1.00 0.00 C ATOM 0 H ALA A 67 56.119 -10.588 14.577 1.00 0.00 H new ATOM 0 HA ALA A 67 55.535 -7.703 14.702 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.853 -7.759 12.311 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.591 -8.093 12.498 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.458 -9.428 12.184 1.00 0.00 H new ATOM 1043 N THR A 68 53.082 -8.213 14.796 1.00 0.00 N ATOM 1044 CA THR A 68 51.694 -8.560 15.078 1.00 0.00 C ATOM 1045 C THR A 68 50.746 -7.676 14.273 1.00 0.00 C ATOM 1046 O THR A 68 50.994 -6.483 14.099 1.00 0.00 O ATOM 1047 CB THR A 68 51.406 -8.393 16.572 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.368 -9.122 17.321 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.006 -8.922 16.886 1.00 0.00 C ATOM 0 H THR A 68 53.296 -7.219 14.874 1.00 0.00 H new ATOM 0 HA THR A 68 51.534 -9.600 14.792 1.00 0.00 H new ATOM 0 HB THR A 68 51.461 -7.337 16.837 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.187 -9.015 18.278 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.802 -8.803 17.950 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.268 -8.363 16.310 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.948 -9.978 16.622 1.00 0.00 H new ATOM 1057 N GLY A 69 49.661 -8.269 13.788 1.00 0.00 N ATOM 1058 CA GLY A 69 48.683 -7.525 13.002 1.00 0.00 C ATOM 1059 C GLY A 69 48.359 -8.253 11.703 1.00 0.00 C ATOM 1060 O GLY A 69 48.885 -9.334 11.435 1.00 0.00 O ATOM 0 H GLY A 69 49.437 -9.255 13.923 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.771 -7.389 13.584 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.071 -6.531 12.779 1.00 0.00 H new ATOM 1064 N PRO A 70 47.506 -7.680 10.899 1.00 0.00 N ATOM 1065 CA PRO A 70 47.097 -8.277 9.596 1.00 0.00 C ATOM 1066 C PRO A 70 48.202 -8.183 8.547 1.00 0.00 C ATOM 1067 O PRO A 70 48.254 -8.982 7.613 1.00 0.00 O ATOM 1068 CB PRO A 70 45.880 -7.446 9.183 1.00 0.00 C ATOM 1069 CG PRO A 70 46.047 -6.129 9.868 1.00 0.00 C ATOM 1070 CD PRO A 70 46.839 -6.393 11.149 1.00 0.00 C ATOM 0 HA PRO A 70 46.882 -9.342 9.684 1.00 0.00 H new ATOM 0 HB2 PRO A 70 45.837 -7.323 8.101 1.00 0.00 H new ATOM 0 HB3 PRO A 70 44.952 -7.931 9.486 1.00 0.00 H new ATOM 0 HG2 PRO A 70 46.575 -5.424 9.226 1.00 0.00 H new ATOM 0 HG3 PRO A 70 45.077 -5.687 10.097 1.00 0.00 H new ATOM 0 HD2 PRO A 70 47.562 -5.600 11.341 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.184 -6.446 12.019 1.00 0.00 H new ATOM 1078 N GLN A 71 49.084 -7.202 8.709 1.00 0.00 N ATOM 1079 CA GLN A 71 50.184 -7.013 7.770 1.00 0.00 C ATOM 1080 C GLN A 71 51.500 -7.476 8.386 1.00 0.00 C ATOM 1081 O GLN A 71 52.563 -7.335 7.782 1.00 0.00 O ATOM 1082 CB GLN A 71 50.291 -5.537 7.383 1.00 0.00 C ATOM 1083 CG GLN A 71 49.071 -5.135 6.551 1.00 0.00 C ATOM 1084 CD GLN A 71 49.240 -3.712 6.031 1.00 0.00 C ATOM 1085 OE1 GLN A 71 50.235 -3.403 5.376 1.00 0.00 O ATOM 1086 NE2 GLN A 71 48.321 -2.821 6.286 1.00 0.00 N ATOM 0 H GLN A 71 49.059 -6.530 9.476 1.00 0.00 H new ATOM 0 HA GLN A 71 49.984 -7.609 6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.352 -4.919 8.279 1.00 0.00 H new ATOM 0 HB3 GLN A 71 51.205 -5.365 6.814 1.00 0.00 H new ATOM 0 HG2 GLN A 71 48.947 -5.824 5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 71 48.168 -5.204 7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 71 47.497 -3.079 6.829 1.00 0.00 H new ATOM 0 HE22 GLN A 71 48.427 -1.867 5.942 1.00 0.00 H new ATOM 1095 N GLU A 72 51.421 -8.029 9.593 1.00 0.00 N ATOM 1096 CA GLU A 72 52.612 -8.509 10.281 1.00 0.00 C ATOM 1097 C GLU A 72 53.482 -9.334 9.338 1.00 0.00 C ATOM 1098 O GLU A 72 54.697 -9.143 9.271 1.00 0.00 O ATOM 1099 CB GLU A 72 52.211 -9.363 11.486 1.00 0.00 C ATOM 1100 CG GLU A 72 51.597 -10.677 10.999 1.00 0.00 C ATOM 1101 CD GLU A 72 50.878 -11.372 12.149 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.463 -11.470 13.216 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.753 -11.798 11.947 1.00 0.00 O ATOM 0 H GLU A 72 50.551 -8.155 10.110 1.00 0.00 H new ATOM 0 HA GLU A 72 53.184 -7.645 10.621 1.00 0.00 H new ATOM 0 HB2 GLU A 72 53.083 -9.565 12.108 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.496 -8.823 12.106 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.897 -10.482 10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 72 52.376 -11.327 10.600 1.00 0.00 H new ATOM 1110 N GLU A 73 52.852 -10.250 8.610 1.00 0.00 N ATOM 1111 CA GLU A 73 53.579 -11.099 7.673 1.00 0.00 C ATOM 1112 C GLU A 73 54.294 -10.252 6.625 1.00 0.00 C ATOM 1113 O GLU A 73 55.474 -10.460 6.345 1.00 0.00 O ATOM 1114 CB GLU A 73 52.612 -12.061 6.981 1.00 0.00 C ATOM 1115 CG GLU A 73 51.949 -12.960 8.027 1.00 0.00 C ATOM 1116 CD GLU A 73 51.061 -13.992 7.342 1.00 0.00 C ATOM 1117 OE1 GLU A 73 50.968 -13.950 6.126 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.488 -14.811 8.042 1.00 0.00 O ATOM 0 H GLU A 73 51.848 -10.423 8.650 1.00 0.00 H new ATOM 0 HA GLU A 73 54.322 -11.669 8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 73 51.853 -11.500 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 73 53.147 -12.668 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 73 52.712 -13.462 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.355 -12.356 8.713 1.00 0.00 H new ATOM 1125 N GLU A 74 53.570 -9.297 6.050 1.00 0.00 N ATOM 1126 CA GLU A 74 54.146 -8.425 5.033 1.00 0.00 C ATOM 1127 C GLU A 74 55.253 -7.562 5.632 1.00 0.00 C ATOM 1128 O GLU A 74 56.345 -7.461 5.074 1.00 0.00 O ATOM 1129 CB GLU A 74 53.060 -7.525 4.439 1.00 0.00 C ATOM 1130 CG GLU A 74 51.894 -8.387 3.950 1.00 0.00 C ATOM 1131 CD GLU A 74 50.979 -7.564 3.051 1.00 0.00 C ATOM 1132 OE1 GLU A 74 50.840 -6.378 3.305 1.00 0.00 O ATOM 1133 OE2 GLU A 74 50.429 -8.130 2.120 1.00 0.00 O ATOM 0 H GLU A 74 52.592 -9.108 6.268 1.00 0.00 H new ATOM 0 HA GLU A 74 54.571 -9.048 4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.712 -6.814 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.467 -6.943 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 74 52.273 -9.251 3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 74 51.332 -8.770 4.802 1.00 0.00 H new ATOM 1140 N ALA A 75 54.962 -6.941 6.770 1.00 0.00 N ATOM 1141 CA ALA A 75 55.940 -6.089 7.436 1.00 0.00 C ATOM 1142 C ALA A 75 57.213 -6.871 7.742 1.00 0.00 C ATOM 1143 O ALA A 75 58.321 -6.395 7.489 1.00 0.00 O ATOM 1144 CB ALA A 75 55.353 -5.538 8.737 1.00 0.00 C ATOM 0 H ALA A 75 54.063 -7.011 7.248 1.00 0.00 H new ATOM 0 HA ALA A 75 56.186 -5.262 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.090 -4.903 9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.460 -4.953 8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.090 -6.365 9.396 1.00 0.00 H new ATOM 1150 N LEU A 76 57.049 -8.072 8.286 1.00 0.00 N ATOM 1151 CA LEU A 76 58.193 -8.912 8.621 1.00 0.00 C ATOM 1152 C LEU A 76 58.986 -9.264 7.367 1.00 0.00 C ATOM 1153 O LEU A 76 60.216 -9.241 7.372 1.00 0.00 O ATOM 1154 CB LEU A 76 57.716 -10.196 9.304 1.00 0.00 C ATOM 1155 CG LEU A 76 58.927 -11.041 9.703 1.00 0.00 C ATOM 1156 CD1 LEU A 76 59.767 -10.280 10.729 1.00 0.00 C ATOM 1157 CD2 LEU A 76 58.446 -12.359 10.315 1.00 0.00 C ATOM 0 H LEU A 76 56.141 -8.484 8.503 1.00 0.00 H new ATOM 0 HA LEU A 76 58.840 -8.358 9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 76 57.122 -9.953 10.185 1.00 0.00 H new ATOM 0 HB3 LEU A 76 57.071 -10.761 8.631 1.00 0.00 H new ATOM 0 HG LEU A 76 59.533 -11.247 8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 76 60.629 -10.883 11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 76 60.108 -9.340 10.295 1.00 0.00 H new ATOM 0 HD13 LEU A 76 59.163 -10.073 11.612 1.00 0.00 H new ATOM 0 HD21 LEU A 76 59.307 -12.963 10.600 1.00 0.00 H new ATOM 0 HD22 LEU A 76 57.840 -12.151 11.197 1.00 0.00 H new ATOM 0 HD23 LEU A 76 57.847 -12.903 9.584 1.00 0.00 H new ATOM 1169 N ALA A 77 58.273 -9.591 6.294 1.00 0.00 N ATOM 1170 CA ALA A 77 58.921 -9.948 5.037 1.00 0.00 C ATOM 1171 C ALA A 77 59.785 -8.795 4.534 1.00 0.00 C ATOM 1172 O ALA A 77 60.890 -9.007 4.036 1.00 0.00 O ATOM 1173 CB ALA A 77 57.866 -10.294 3.986 1.00 0.00 C ATOM 0 H ALA A 77 57.254 -9.616 6.269 1.00 0.00 H new ATOM 0 HA ALA A 77 59.558 -10.815 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.358 -10.559 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.269 -11.137 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.218 -9.433 3.824 1.00 0.00 H new ATOM 1179 N ALA A 78 59.273 -7.577 4.668 1.00 0.00 N ATOM 1180 CA ALA A 78 60.007 -6.397 4.223 1.00 0.00 C ATOM 1181 C ALA A 78 61.351 -6.301 4.938 1.00 0.00 C ATOM 1182 O ALA A 78 62.381 -6.046 4.313 1.00 0.00 O ATOM 1183 CB ALA A 78 59.187 -5.137 4.501 1.00 0.00 C ATOM 0 H ALA A 78 58.360 -7.381 5.078 1.00 0.00 H new ATOM 0 HA ALA A 78 60.185 -6.485 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.742 -4.261 4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 78 58.240 -5.194 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.994 -5.057 5.571 1.00 0.00 H new ATOM 1189 N VAL A 79 61.334 -6.508 6.250 1.00 0.00 N ATOM 1190 CA VAL A 79 62.558 -6.442 7.041 1.00 0.00 C ATOM 1191 C VAL A 79 63.499 -7.582 6.667 1.00 0.00 C ATOM 1192 O VAL A 79 64.705 -7.380 6.513 1.00 0.00 O ATOM 1193 CB VAL A 79 62.223 -6.522 8.531 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.516 -6.489 9.348 1.00 0.00 C ATOM 1195 CG2 VAL A 79 61.345 -5.331 8.919 1.00 0.00 C ATOM 0 H VAL A 79 60.493 -6.722 6.786 1.00 0.00 H new ATOM 0 HA VAL A 79 63.053 -5.494 6.831 1.00 0.00 H new ATOM 0 HB VAL A 79 61.689 -7.450 8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 79 63.277 -6.546 10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 79 64.143 -7.337 9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 79 64.051 -5.561 9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 79 61.105 -5.386 9.981 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.880 -4.403 8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.423 -5.354 8.337 1.00 0.00 H new ATOM 1205 N ILE A 80 62.942 -8.780 6.522 1.00 0.00 N ATOM 1206 CA ILE A 80 63.743 -9.946 6.166 1.00 0.00 C ATOM 1207 C ILE A 80 64.322 -9.791 4.763 1.00 0.00 C ATOM 1208 O ILE A 80 65.470 -10.157 4.510 1.00 0.00 O ATOM 1209 CB ILE A 80 62.882 -11.209 6.228 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.636 -11.585 7.691 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.608 -12.356 5.523 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.623 -12.728 7.761 1.00 0.00 C ATOM 0 H ILE A 80 61.947 -8.969 6.644 1.00 0.00 H new ATOM 0 HA ILE A 80 64.564 -10.030 6.878 1.00 0.00 H new ATOM 0 HB ILE A 80 61.928 -11.024 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.572 -11.885 8.163 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.264 -10.721 8.242 1.00 0.00 H new ATOM 0 HG21 ILE A 80 62.995 -13.256 5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.786 -12.088 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.561 -12.542 6.018 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.448 -12.996 8.803 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.685 -12.411 7.305 1.00 0.00 H new ATOM 0 HD13 ILE A 80 62.013 -13.593 7.225 1.00 0.00 H new ATOM 1224 N ALA A 81 63.521 -9.245 3.855 1.00 0.00 N ATOM 1225 CA ALA A 81 63.964 -9.046 2.480 1.00 0.00 C ATOM 1226 C ALA A 81 65.143 -8.080 2.431 1.00 0.00 C ATOM 1227 O ALA A 81 66.043 -8.225 1.604 1.00 0.00 O ATOM 1228 CB ALA A 81 62.815 -8.496 1.633 1.00 0.00 C ATOM 0 H ALA A 81 62.568 -8.934 4.044 1.00 0.00 H new ATOM 0 HA ALA A 81 64.281 -10.009 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.156 -8.351 0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 81 61.985 -9.203 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.484 -7.542 2.044 1.00 0.00 H new ATOM 1234 N LEU A 82 65.130 -7.094 3.321 1.00 0.00 N ATOM 1235 CA LEU A 82 66.205 -6.109 3.370 1.00 0.00 C ATOM 1236 C LEU A 82 67.491 -6.742 3.890 1.00 0.00 C ATOM 1237 O LEU A 82 68.579 -6.467 3.384 1.00 0.00 O ATOM 1238 CB LEU A 82 65.804 -4.944 4.277 1.00 0.00 C ATOM 1239 CG LEU A 82 65.191 -3.825 3.432 1.00 0.00 C ATOM 1240 CD1 LEU A 82 64.329 -2.928 4.321 1.00 0.00 C ATOM 1241 CD2 LEU A 82 66.310 -2.994 2.800 1.00 0.00 C ATOM 0 H LEU A 82 64.394 -6.955 4.013 1.00 0.00 H new ATOM 0 HA LEU A 82 66.380 -5.740 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 82 65.088 -5.282 5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.676 -4.572 4.815 1.00 0.00 H new ATOM 0 HG LEU A 82 64.572 -4.259 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.892 -2.131 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.533 -3.520 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 82 64.947 -2.493 5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 82 65.875 -2.196 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 82 66.929 -2.560 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 82 66.924 -3.633 2.166 1.00 0.00 H new ATOM 1253 N PHE A 83 67.358 -7.592 4.903 1.00 0.00 N ATOM 1254 CA PHE A 83 68.518 -8.259 5.485 1.00 0.00 C ATOM 1255 C PHE A 83 69.086 -9.290 4.514 1.00 0.00 C ATOM 1256 O PHE A 83 70.288 -9.554 4.510 1.00 0.00 O ATOM 1257 CB PHE A 83 68.122 -8.949 6.792 1.00 0.00 C ATOM 1258 CG PHE A 83 67.597 -7.921 7.766 1.00 0.00 C ATOM 1259 CD1 PHE A 83 67.514 -6.576 7.387 1.00 0.00 C ATOM 1260 CD2 PHE A 83 67.193 -8.314 9.046 1.00 0.00 C ATOM 1261 CE1 PHE A 83 67.027 -5.623 8.290 1.00 0.00 C ATOM 1262 CE2 PHE A 83 66.706 -7.361 9.949 1.00 0.00 C ATOM 1263 CZ PHE A 83 66.623 -6.016 9.571 1.00 0.00 C ATOM 0 H PHE A 83 66.466 -7.834 5.335 1.00 0.00 H new ATOM 0 HA PHE A 83 69.282 -7.508 5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 83 67.361 -9.705 6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.983 -9.464 7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 83 67.826 -6.273 6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 83 67.257 -9.352 9.338 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.963 -4.585 7.998 1.00 0.00 H new ATOM 0 HE2 PHE A 83 66.394 -7.664 10.938 1.00 0.00 H new ATOM 0 HZ PHE A 83 66.247 -5.281 10.268 1.00 0.00 H new