USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.285 K(o=0.66,f=-1.1) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.37 K(o=0.66,f=-1.1) USER MOD Set 2.1: A 55 THR OG1 : rot -58:sc= 1.94 USER MOD Set 2.2: A 57 SER OG : rot -28:sc= 0.805 USER MOD Set 3.1: A 7 THR OG1 : rot 132:sc= 1.52 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.2 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.239 (180deg=0.184) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00963 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 1.29 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= 0.672 (180deg=0.0956) USER MOD Single : A 31 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.48) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= 1.26 (180deg=1.22) USER MOD Single : A 40 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.2 K(o=1.2,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.634 K(o=0.63,f=-4.5!) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.287 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0748) USER MOD Single : A 65 SER OG : rot -140:sc= 0.465 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.424 51.669 20.149 1.00 0.00 N ATOM 2 CA MET A 1 32.855 52.036 21.506 1.00 0.00 C ATOM 3 C MET A 1 34.345 52.383 21.493 1.00 0.00 C ATOM 4 O MET A 1 35.064 51.945 20.598 1.00 0.00 O ATOM 5 CB MET A 1 32.511 50.968 22.540 1.00 0.00 C ATOM 6 CG MET A 1 33.230 49.634 22.355 1.00 0.00 C ATOM 7 SD MET A 1 32.848 48.423 23.645 1.00 0.00 S ATOM 8 CE MET A 1 34.083 47.163 23.239 1.00 0.00 C ATOM 0 H1 MET A 1 31.434 51.352 20.173 1.00 0.00 H new ATOM 0 H2 MET A 1 32.508 52.495 19.523 1.00 0.00 H new ATOM 0 H3 MET A 1 33.025 50.900 19.790 1.00 0.00 H new ATOM 0 HA MET A 1 32.298 52.920 21.816 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.745 51.355 23.532 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.436 50.791 22.513 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.961 49.217 21.385 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.306 49.809 22.339 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.997 46.330 23.937 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.916 46.804 22.224 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.081 47.595 23.311 1.00 0.00 H new ATOM 20 N GLN A 2 34.822 53.141 22.477 1.00 0.00 N ATOM 21 CA GLN A 2 36.212 53.529 22.603 1.00 0.00 C ATOM 22 C GLN A 2 36.882 52.776 23.754 1.00 0.00 C ATOM 23 O GLN A 2 36.290 52.619 24.819 1.00 0.00 O ATOM 24 CB GLN A 2 36.302 55.046 22.745 1.00 0.00 C ATOM 25 CG GLN A 2 37.736 55.553 22.631 1.00 0.00 C ATOM 26 CD GLN A 2 37.790 57.069 22.428 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.882 57.565 21.308 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.717 57.882 23.478 1.00 0.00 N ATOM 0 H GLN A 2 34.233 53.508 23.224 1.00 0.00 H new ATOM 0 HA GLN A 2 36.761 53.251 21.703 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.690 55.518 21.976 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.889 55.344 23.709 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.288 55.287 23.533 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.231 55.057 21.796 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.640 57.495 24.418 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.738 58.893 23.343 1.00 0.00 H new ATOM 37 N ILE A 3 38.122 52.339 23.550 1.00 0.00 N ATOM 38 CA ILE A 3 38.960 51.712 24.551 1.00 0.00 C ATOM 39 C ILE A 3 40.321 52.406 24.633 1.00 0.00 C ATOM 40 O ILE A 3 40.757 53.045 23.678 1.00 0.00 O ATOM 41 CB ILE A 3 39.124 50.213 24.315 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.781 49.905 22.973 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.785 49.497 24.472 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.297 48.474 22.852 1.00 0.00 C ATOM 0 H ILE A 3 38.583 52.418 22.644 1.00 0.00 H new ATOM 0 HA ILE A 3 38.454 51.828 25.509 1.00 0.00 H new ATOM 0 HB ILE A 3 39.803 49.832 25.078 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.061 50.090 22.176 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.611 50.595 22.819 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.921 48.429 24.300 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.403 49.657 25.480 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.073 49.893 23.748 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.750 48.332 21.871 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.042 48.289 23.626 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.468 47.777 22.973 1.00 0.00 H new ATOM 56 N PHE A 4 41.013 52.225 25.755 1.00 0.00 N ATOM 57 CA PHE A 4 42.367 52.693 25.967 1.00 0.00 C ATOM 58 C PHE A 4 43.355 51.525 25.949 1.00 0.00 C ATOM 59 O PHE A 4 43.021 50.406 26.331 1.00 0.00 O ATOM 60 CB PHE A 4 42.452 53.469 27.278 1.00 0.00 C ATOM 61 CG PHE A 4 41.525 54.656 27.395 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.957 55.926 26.997 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.237 54.488 27.918 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.098 57.027 27.104 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.378 55.588 28.025 1.00 0.00 C ATOM 66 CZ PHE A 4 39.806 56.856 27.614 1.00 0.00 C ATOM 0 H PHE A 4 40.629 51.733 26.562 1.00 0.00 H new ATOM 0 HA PHE A 4 42.638 53.365 25.152 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.241 52.784 28.099 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.477 53.817 27.408 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.955 56.058 26.606 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.907 53.511 28.238 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.432 58.006 26.794 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.383 55.458 28.425 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.139 57.702 27.690 1.00 0.00 H new ATOM 76 N VAL A 5 44.601 51.786 25.565 1.00 0.00 N ATOM 77 CA VAL A 5 45.709 50.863 25.713 1.00 0.00 C ATOM 78 C VAL A 5 46.857 51.576 26.430 1.00 0.00 C ATOM 79 O VAL A 5 47.194 52.700 26.063 1.00 0.00 O ATOM 80 CB VAL A 5 46.151 50.276 24.376 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.178 49.164 24.569 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.990 49.702 23.570 1.00 0.00 C ATOM 0 H VAL A 5 44.869 52.670 25.132 1.00 0.00 H new ATOM 0 HA VAL A 5 45.383 50.015 26.315 1.00 0.00 H new ATOM 0 HB VAL A 5 46.588 51.110 23.827 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.472 48.767 23.597 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.055 49.563 25.078 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.742 48.366 25.170 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.364 49.299 22.629 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.509 48.907 24.140 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.265 50.490 23.364 1.00 0.00 H new ATOM 92 N LYS A 6 47.429 50.939 27.447 1.00 0.00 N ATOM 93 CA LYS A 6 48.408 51.495 28.359 1.00 0.00 C ATOM 94 C LYS A 6 49.679 50.648 28.414 1.00 0.00 C ATOM 95 O LYS A 6 49.603 49.422 28.478 1.00 0.00 O ATOM 96 CB LYS A 6 47.748 51.638 29.728 1.00 0.00 C ATOM 97 CG LYS A 6 48.583 52.364 30.778 1.00 0.00 C ATOM 98 CD LYS A 6 47.768 52.572 32.052 1.00 0.00 C ATOM 99 CE LYS A 6 48.493 53.439 33.076 1.00 0.00 C ATOM 100 NZ LYS A 6 47.685 53.610 34.293 1.00 0.00 N ATOM 0 H LYS A 6 47.206 49.968 27.664 1.00 0.00 H new ATOM 0 HA LYS A 6 48.729 52.475 28.007 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.805 52.170 29.605 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.506 50.643 30.103 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.480 51.787 31.002 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.913 53.327 30.388 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.815 53.036 31.798 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.542 51.603 32.497 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.449 52.982 33.332 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.712 54.414 32.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.202 54.204 34.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.783 54.067 34.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.498 52.680 34.719 1.00 0.00 H new ATOM 114 N THR A 7 50.844 51.289 28.405 1.00 0.00 N ATOM 115 CA THR A 7 52.143 50.654 28.509 1.00 0.00 C ATOM 116 C THR A 7 52.751 50.743 29.910 1.00 0.00 C ATOM 117 O THR A 7 52.389 51.604 30.708 1.00 0.00 O ATOM 118 CB THR A 7 53.141 51.227 27.506 1.00 0.00 C ATOM 119 OG1 THR A 7 53.426 52.569 27.831 1.00 0.00 O ATOM 120 CG2 THR A 7 52.636 51.162 26.068 1.00 0.00 C ATOM 0 H THR A 7 50.906 52.304 28.322 1.00 0.00 H new ATOM 0 HA THR A 7 51.956 49.604 28.284 1.00 0.00 H new ATOM 0 HB THR A 7 54.040 50.614 27.569 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.396 52.709 27.823 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.387 51.583 25.399 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.448 50.124 25.795 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.711 51.733 25.981 1.00 0.00 H new ATOM 128 N LEU A 8 53.742 49.904 30.199 1.00 0.00 N ATOM 129 CA LEU A 8 54.568 49.954 31.388 1.00 0.00 C ATOM 130 C LEU A 8 55.536 51.139 31.397 1.00 0.00 C ATOM 131 O LEU A 8 56.080 51.484 32.443 1.00 0.00 O ATOM 132 CB LEU A 8 55.301 48.624 31.539 1.00 0.00 C ATOM 133 CG LEU A 8 54.413 47.392 31.686 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.277 46.136 31.745 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.562 47.435 32.952 1.00 0.00 C ATOM 0 H LEU A 8 53.998 49.137 29.577 1.00 0.00 H new ATOM 0 HA LEU A 8 53.916 50.112 32.247 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.944 48.484 30.670 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.952 48.686 32.411 1.00 0.00 H new ATOM 0 HG LEU A 8 53.751 47.378 30.820 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.638 45.259 31.850 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.860 46.052 30.828 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.951 46.198 32.599 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.949 46.536 33.009 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.212 47.487 33.826 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.917 48.313 32.927 1.00 0.00 H new ATOM 147 N THR A 9 55.707 51.818 30.266 1.00 0.00 N ATOM 148 CA THR A 9 56.348 53.110 30.133 1.00 0.00 C ATOM 149 C THR A 9 55.394 54.282 30.371 1.00 0.00 C ATOM 150 O THR A 9 55.816 55.435 30.346 1.00 0.00 O ATOM 151 CB THR A 9 57.026 53.251 28.773 1.00 0.00 C ATOM 152 OG1 THR A 9 56.084 53.066 27.742 1.00 0.00 O ATOM 153 CG2 THR A 9 58.127 52.215 28.558 1.00 0.00 C ATOM 0 H THR A 9 55.381 51.455 29.370 1.00 0.00 H new ATOM 0 HA THR A 9 57.105 53.151 30.916 1.00 0.00 H new ATOM 0 HB THR A 9 57.460 54.251 28.753 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.527 53.160 26.873 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.576 52.360 27.576 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.891 52.331 29.327 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.701 51.214 28.618 1.00 0.00 H new ATOM 161 N GLY A 10 54.116 54.033 30.646 1.00 0.00 N ATOM 162 CA GLY A 10 53.124 55.034 30.987 1.00 0.00 C ATOM 163 C GLY A 10 52.550 55.814 29.803 1.00 0.00 C ATOM 164 O GLY A 10 51.889 56.827 30.017 1.00 0.00 O ATOM 0 H GLY A 10 53.734 53.087 30.635 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.303 54.545 31.511 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.571 55.742 31.685 1.00 0.00 H new ATOM 168 N LYS A 11 52.786 55.367 28.574 1.00 0.00 N ATOM 169 CA LYS A 11 52.232 55.925 27.357 1.00 0.00 C ATOM 170 C LYS A 11 50.829 55.356 27.133 1.00 0.00 C ATOM 171 O LYS A 11 50.602 54.181 27.415 1.00 0.00 O ATOM 172 CB LYS A 11 53.194 55.639 26.207 1.00 0.00 C ATOM 173 CG LYS A 11 53.002 56.567 25.011 1.00 0.00 C ATOM 174 CD LYS A 11 54.027 56.295 23.913 1.00 0.00 C ATOM 175 CE LYS A 11 53.869 57.285 22.762 1.00 0.00 C ATOM 176 NZ LYS A 11 54.511 56.801 21.531 1.00 0.00 N ATOM 0 H LYS A 11 53.397 54.570 28.397 1.00 0.00 H new ATOM 0 HA LYS A 11 52.122 57.007 27.426 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.218 55.731 26.568 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.063 54.607 25.881 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.997 56.440 24.610 1.00 0.00 H new ATOM 0 HG3 LYS A 11 53.086 57.603 25.338 1.00 0.00 H new ATOM 0 HD2 LYS A 11 55.034 56.367 24.324 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.906 55.277 23.542 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.809 57.458 22.575 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.303 58.244 23.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.137 57.326 20.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.539 56.947 21.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.312 55.787 21.411 1.00 0.00 H new ATOM 190 N THR A 12 49.891 56.155 26.634 1.00 0.00 N ATOM 191 CA THR A 12 48.543 55.710 26.338 1.00 0.00 C ATOM 192 C THR A 12 48.058 56.093 24.939 1.00 0.00 C ATOM 193 O THR A 12 48.446 57.120 24.388 1.00 0.00 O ATOM 194 CB THR A 12 47.507 56.141 27.371 1.00 0.00 C ATOM 195 OG1 THR A 12 47.358 57.541 27.446 1.00 0.00 O ATOM 196 CG2 THR A 12 47.811 55.649 28.783 1.00 0.00 C ATOM 0 H THR A 12 50.052 57.140 26.423 1.00 0.00 H new ATOM 0 HA THR A 12 48.629 54.624 26.381 1.00 0.00 H new ATOM 0 HB THR A 12 46.587 55.679 27.012 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.682 57.762 28.120 1.00 0.00 H new ATOM 0 HG21 THR A 12 47.032 55.993 29.464 1.00 0.00 H new ATOM 0 HG22 THR A 12 47.843 54.559 28.790 1.00 0.00 H new ATOM 0 HG23 THR A 12 48.775 56.042 29.106 1.00 0.00 H new ATOM 204 N ILE A 13 47.175 55.269 24.380 1.00 0.00 N ATOM 205 CA ILE A 13 46.514 55.469 23.106 1.00 0.00 C ATOM 206 C ILE A 13 45.042 55.067 23.202 1.00 0.00 C ATOM 207 O ILE A 13 44.682 54.258 24.055 1.00 0.00 O ATOM 208 CB ILE A 13 47.216 54.723 21.975 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.283 53.217 22.212 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.592 55.326 21.702 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.911 52.407 21.082 1.00 0.00 C ATOM 0 H ILE A 13 46.891 54.400 24.832 1.00 0.00 H new ATOM 0 HA ILE A 13 46.570 56.531 22.866 1.00 0.00 H new ATOM 0 HB ILE A 13 46.610 54.852 21.078 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.849 53.034 23.126 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.272 52.847 22.384 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.075 54.779 20.892 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.481 56.372 21.417 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.204 55.258 22.601 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.911 51.350 21.348 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.335 52.551 20.168 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.936 52.741 20.921 1.00 0.00 H new ATOM 223 N THR A 14 44.205 55.585 22.308 1.00 0.00 N ATOM 224 CA THR A 14 42.811 55.224 22.154 1.00 0.00 C ATOM 225 C THR A 14 42.554 54.495 20.834 1.00 0.00 C ATOM 226 O THR A 14 43.109 54.864 19.800 1.00 0.00 O ATOM 227 CB THR A 14 41.874 56.426 22.236 1.00 0.00 C ATOM 228 OG1 THR A 14 42.437 57.567 21.628 1.00 0.00 O ATOM 229 CG2 THR A 14 41.563 56.797 23.684 1.00 0.00 C ATOM 0 H THR A 14 44.500 56.300 21.643 1.00 0.00 H new ATOM 0 HA THR A 14 42.596 54.558 22.990 1.00 0.00 H new ATOM 0 HB THR A 14 40.964 56.129 21.715 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.810 58.317 21.697 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.893 57.657 23.704 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.085 55.953 24.181 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.489 57.046 24.203 1.00 0.00 H new ATOM 237 N LEU A 15 41.702 53.475 20.872 1.00 0.00 N ATOM 238 CA LEU A 15 41.176 52.767 19.722 1.00 0.00 C ATOM 239 C LEU A 15 39.648 52.820 19.744 1.00 0.00 C ATOM 240 O LEU A 15 39.051 52.715 20.813 1.00 0.00 O ATOM 241 CB LEU A 15 41.644 51.314 19.726 1.00 0.00 C ATOM 242 CG LEU A 15 42.999 51.005 19.095 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.204 51.545 19.860 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.165 49.490 19.028 1.00 0.00 C ATOM 0 H LEU A 15 41.345 53.105 21.753 1.00 0.00 H new ATOM 0 HA LEU A 15 41.545 53.247 18.815 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.670 50.973 20.761 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.890 50.717 19.212 1.00 0.00 H new ATOM 0 HG LEU A 15 42.987 51.494 18.121 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.120 51.275 19.334 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.133 52.630 19.931 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.221 51.116 20.862 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.129 49.249 18.579 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.119 49.074 20.034 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.366 49.063 18.422 1.00 0.00 H new ATOM 256 N GLU A 16 39.007 52.910 18.582 1.00 0.00 N ATOM 257 CA GLU A 16 37.568 52.847 18.426 1.00 0.00 C ATOM 258 C GLU A 16 37.176 51.572 17.679 1.00 0.00 C ATOM 259 O GLU A 16 37.665 51.306 16.582 1.00 0.00 O ATOM 260 CB GLU A 16 37.049 54.111 17.747 1.00 0.00 C ATOM 261 CG GLU A 16 37.171 55.332 18.653 1.00 0.00 C ATOM 262 CD GLU A 16 36.871 56.626 17.893 1.00 0.00 C ATOM 263 OE1 GLU A 16 37.781 57.148 17.213 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.734 57.139 17.976 1.00 0.00 O ATOM 0 H GLU A 16 39.498 53.033 17.696 1.00 0.00 H new ATOM 0 HA GLU A 16 37.097 52.802 19.408 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.607 54.284 16.827 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.005 53.970 17.466 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.483 55.234 19.492 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.177 55.378 19.070 1.00 0.00 H new ATOM 271 N VAL A 17 36.364 50.738 18.324 1.00 0.00 N ATOM 272 CA VAL A 17 36.121 49.350 17.988 1.00 0.00 C ATOM 273 C VAL A 17 34.701 48.924 18.365 1.00 0.00 C ATOM 274 O VAL A 17 34.052 49.558 19.194 1.00 0.00 O ATOM 275 CB VAL A 17 37.123 48.433 18.683 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.539 48.570 18.129 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.194 48.652 20.192 1.00 0.00 C ATOM 0 H VAL A 17 35.831 51.036 19.141 1.00 0.00 H new ATOM 0 HA VAL A 17 36.241 49.259 16.908 1.00 0.00 H new ATOM 0 HB VAL A 17 36.742 47.432 18.479 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.206 47.893 18.663 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.541 48.319 17.068 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.883 49.596 18.260 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.925 47.969 20.625 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.493 49.680 20.397 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.215 48.464 20.633 1.00 0.00 H new ATOM 287 N GLU A 18 34.226 47.814 17.809 1.00 0.00 N ATOM 288 CA GLU A 18 32.992 47.166 18.206 1.00 0.00 C ATOM 289 C GLU A 18 33.269 45.910 19.035 1.00 0.00 C ATOM 290 O GLU A 18 34.326 45.305 18.872 1.00 0.00 O ATOM 291 CB GLU A 18 32.148 46.843 16.976 1.00 0.00 C ATOM 292 CG GLU A 18 31.712 48.068 16.177 1.00 0.00 C ATOM 293 CD GLU A 18 30.803 49.011 16.970 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.977 50.246 16.913 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.868 48.535 17.648 1.00 0.00 O ATOM 0 H GLU A 18 34.706 47.331 17.049 1.00 0.00 H new ATOM 0 HA GLU A 18 32.429 47.853 18.838 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.716 46.181 16.323 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.261 46.295 17.292 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.597 48.615 15.851 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.190 47.741 15.278 1.00 0.00 H new ATOM 302 N PRO A 19 32.358 45.443 19.883 1.00 0.00 N ATOM 303 CA PRO A 19 32.565 44.264 20.700 1.00 0.00 C ATOM 304 C PRO A 19 32.875 42.968 19.949 1.00 0.00 C ATOM 305 O PRO A 19 33.407 42.031 20.540 1.00 0.00 O ATOM 306 CB PRO A 19 31.302 44.109 21.542 1.00 0.00 C ATOM 307 CG PRO A 19 30.764 45.533 21.645 1.00 0.00 C ATOM 308 CD PRO A 19 31.133 46.108 20.281 1.00 0.00 C ATOM 0 HA PRO A 19 33.467 44.423 21.291 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.583 43.442 21.067 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.523 43.692 22.524 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.688 45.552 21.819 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.228 46.087 22.461 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.339 45.930 19.555 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.276 47.187 20.339 1.00 0.00 H new ATOM 316 N SER A 20 32.562 42.907 18.658 1.00 0.00 N ATOM 317 CA SER A 20 32.843 41.808 17.756 1.00 0.00 C ATOM 318 C SER A 20 34.161 41.923 16.986 1.00 0.00 C ATOM 319 O SER A 20 34.486 41.005 16.236 1.00 0.00 O ATOM 320 CB SER A 20 31.676 41.651 16.787 1.00 0.00 C ATOM 321 OG SER A 20 31.408 42.868 16.129 1.00 0.00 O ATOM 0 H SER A 20 32.076 43.673 18.191 1.00 0.00 H new ATOM 0 HA SER A 20 32.962 40.923 18.381 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.907 40.879 16.054 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.789 41.321 17.328 1.00 0.00 H new ATOM 0 HG SER A 20 30.658 42.747 15.510 1.00 0.00 H new ATOM 327 N ASP A 21 34.917 43.006 17.129 1.00 0.00 N ATOM 328 CA ASP A 21 36.220 43.143 16.507 1.00 0.00 C ATOM 329 C ASP A 21 37.244 42.225 17.176 1.00 0.00 C ATOM 330 O ASP A 21 37.166 41.957 18.373 1.00 0.00 O ATOM 331 CB ASP A 21 36.687 44.596 16.520 1.00 0.00 C ATOM 332 CG ASP A 21 35.873 45.536 15.629 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.159 45.078 14.711 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.000 46.769 15.790 1.00 0.00 O ATOM 0 H ASP A 21 34.638 43.815 17.683 1.00 0.00 H new ATOM 0 HA ASP A 21 36.128 42.837 15.465 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.651 44.966 17.545 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.730 44.631 16.205 1.00 0.00 H new ATOM 339 N THR A 22 38.205 41.721 16.408 1.00 0.00 N ATOM 340 CA THR A 22 39.165 40.736 16.861 1.00 0.00 C ATOM 341 C THR A 22 40.384 41.332 17.568 1.00 0.00 C ATOM 342 O THR A 22 40.773 42.472 17.326 1.00 0.00 O ATOM 343 CB THR A 22 39.651 39.843 15.723 1.00 0.00 C ATOM 344 OG1 THR A 22 40.245 40.619 14.706 1.00 0.00 O ATOM 345 CG2 THR A 22 38.523 39.015 15.114 1.00 0.00 C ATOM 0 H THR A 22 38.336 41.995 15.434 1.00 0.00 H new ATOM 0 HA THR A 22 38.612 40.144 17.590 1.00 0.00 H new ATOM 0 HB THR A 22 40.384 39.161 16.154 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.553 40.032 13.984 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.919 38.396 14.309 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.086 38.376 15.881 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.757 39.681 14.717 1.00 0.00 H new ATOM 353 N ILE A 23 41.070 40.522 18.371 1.00 0.00 N ATOM 354 CA ILE A 23 42.354 40.879 18.938 1.00 0.00 C ATOM 355 C ILE A 23 43.410 41.093 17.853 1.00 0.00 C ATOM 356 O ILE A 23 44.251 41.976 17.996 1.00 0.00 O ATOM 357 CB ILE A 23 42.780 39.843 19.975 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.774 39.659 21.107 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.160 40.141 20.555 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.369 40.913 21.877 1.00 0.00 C ATOM 0 H ILE A 23 40.743 39.595 18.644 1.00 0.00 H new ATOM 0 HA ILE A 23 42.253 41.835 19.451 1.00 0.00 H new ATOM 0 HB ILE A 23 42.823 38.904 19.423 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.872 39.210 20.691 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.188 38.943 21.817 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.419 39.377 21.288 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.899 40.141 19.754 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.148 41.118 21.038 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.651 40.647 22.653 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.251 41.359 22.336 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.915 41.629 21.192 1.00 0.00 H new ATOM 372 N GLU A 24 43.350 40.379 16.732 1.00 0.00 N ATOM 373 CA GLU A 24 44.167 40.666 15.569 1.00 0.00 C ATOM 374 C GLU A 24 43.949 42.086 15.044 1.00 0.00 C ATOM 375 O GLU A 24 44.931 42.785 14.801 1.00 0.00 O ATOM 376 CB GLU A 24 43.902 39.612 14.497 1.00 0.00 C ATOM 377 CG GLU A 24 44.535 39.922 13.143 1.00 0.00 C ATOM 378 CD GLU A 24 44.397 38.766 12.150 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.349 38.521 11.378 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.347 38.089 12.141 1.00 0.00 O ATOM 0 H GLU A 24 42.727 39.581 16.610 1.00 0.00 H new ATOM 0 HA GLU A 24 45.217 40.618 15.859 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.276 38.651 14.849 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.825 39.506 14.366 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.069 40.814 12.724 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.591 40.151 13.284 1.00 0.00 H new ATOM 387 N ASN A 25 42.705 42.540 14.927 1.00 0.00 N ATOM 388 CA ASN A 25 42.409 43.908 14.549 1.00 0.00 C ATOM 389 C ASN A 25 42.861 44.925 15.600 1.00 0.00 C ATOM 390 O ASN A 25 43.380 45.972 15.220 1.00 0.00 O ATOM 391 CB ASN A 25 40.927 44.046 14.216 1.00 0.00 C ATOM 392 CG ASN A 25 40.589 45.478 13.792 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.977 46.241 14.535 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.995 45.906 12.601 1.00 0.00 N ATOM 0 H ASN A 25 41.878 41.967 15.092 1.00 0.00 H new ATOM 0 HA ASN A 25 42.988 44.139 13.655 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.665 43.355 13.415 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.329 43.769 15.084 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.798 46.863 12.309 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.504 45.277 11.979 1.00 0.00 H new ATOM 401 N VAL A 26 42.753 44.632 16.892 1.00 0.00 N ATOM 402 CA VAL A 26 43.287 45.474 17.944 1.00 0.00 C ATOM 403 C VAL A 26 44.801 45.641 17.802 1.00 0.00 C ATOM 404 O VAL A 26 45.275 46.772 17.734 1.00 0.00 O ATOM 405 CB VAL A 26 42.909 44.955 19.328 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.597 45.699 20.470 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.408 45.080 19.570 1.00 0.00 C ATOM 0 H VAL A 26 42.286 43.793 17.236 1.00 0.00 H new ATOM 0 HA VAL A 26 42.834 46.459 17.837 1.00 0.00 H new ATOM 0 HB VAL A 26 43.236 43.915 19.329 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.280 45.276 21.423 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.678 45.600 20.370 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.325 46.754 20.433 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.167 44.703 20.564 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.114 46.127 19.498 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.869 44.500 18.821 1.00 0.00 H new ATOM 417 N LYS A 27 45.558 44.554 17.670 1.00 0.00 N ATOM 418 CA LYS A 27 46.989 44.614 17.451 1.00 0.00 C ATOM 419 C LYS A 27 47.351 45.364 16.167 1.00 0.00 C ATOM 420 O LYS A 27 48.316 46.124 16.151 1.00 0.00 O ATOM 421 CB LYS A 27 47.590 43.211 17.420 1.00 0.00 C ATOM 422 CG LYS A 27 47.601 42.461 18.748 1.00 0.00 C ATOM 423 CD LYS A 27 48.197 41.073 18.527 1.00 0.00 C ATOM 424 CE LYS A 27 48.193 40.207 19.784 1.00 0.00 C ATOM 425 NZ LYS A 27 48.612 38.832 19.469 1.00 0.00 N ATOM 0 H LYS A 27 45.187 43.605 17.713 1.00 0.00 H new ATOM 0 HA LYS A 27 47.411 45.170 18.288 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.037 42.616 16.693 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.615 43.284 17.058 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.186 43.010 19.486 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.588 42.378 19.142 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.636 40.565 17.742 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.221 41.178 18.170 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.864 40.635 20.529 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.195 40.197 20.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.334 38.198 20.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.153 38.522 18.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.645 38.802 19.350 1.00 0.00 H new ATOM 439 N ALA A 28 46.557 45.207 15.112 1.00 0.00 N ATOM 440 CA ALA A 28 46.753 45.905 13.857 1.00 0.00 C ATOM 441 C ALA A 28 46.491 47.409 13.962 1.00 0.00 C ATOM 442 O ALA A 28 47.272 48.198 13.434 1.00 0.00 O ATOM 443 CB ALA A 28 45.880 45.250 12.791 1.00 0.00 C ATOM 0 H ALA A 28 45.751 44.582 15.110 1.00 0.00 H new ATOM 0 HA ALA A 28 47.802 45.819 13.575 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.018 45.766 11.841 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.164 44.204 12.681 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.833 45.312 13.089 1.00 0.00 H new ATOM 449 N LYS A 29 45.457 47.832 14.683 1.00 0.00 N ATOM 450 CA LYS A 29 45.171 49.222 14.969 1.00 0.00 C ATOM 451 C LYS A 29 46.224 49.859 15.878 1.00 0.00 C ATOM 452 O LYS A 29 46.518 51.040 15.707 1.00 0.00 O ATOM 453 CB LYS A 29 43.768 49.379 15.549 1.00 0.00 C ATOM 454 CG LYS A 29 42.689 49.441 14.472 1.00 0.00 C ATOM 455 CD LYS A 29 41.303 49.750 15.033 1.00 0.00 C ATOM 456 CE LYS A 29 40.414 50.267 13.905 1.00 0.00 C ATOM 457 NZ LYS A 29 39.040 50.568 14.336 1.00 0.00 N ATOM 0 H LYS A 29 44.778 47.192 15.094 1.00 0.00 H new ATOM 0 HA LYS A 29 45.212 49.760 14.022 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.560 48.544 16.218 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.728 50.287 16.151 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.957 50.203 13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.657 48.489 13.943 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.867 48.854 15.475 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.375 50.494 15.826 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.861 51.168 13.484 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.382 49.524 13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.666 51.359 13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.441 49.730 14.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.041 50.828 15.343 1.00 0.00 H new ATOM 471 N ILE A 30 46.833 49.098 16.782 1.00 0.00 N ATOM 472 CA ILE A 30 47.984 49.523 17.552 1.00 0.00 C ATOM 473 C ILE A 30 49.194 49.731 16.638 1.00 0.00 C ATOM 474 O ILE A 30 49.800 50.798 16.679 1.00 0.00 O ATOM 475 CB ILE A 30 48.267 48.563 18.704 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.151 48.608 19.744 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.605 48.860 19.372 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.156 47.443 20.730 1.00 0.00 C ATOM 0 H ILE A 30 46.529 48.149 17.000 1.00 0.00 H new ATOM 0 HA ILE A 30 47.762 50.487 18.010 1.00 0.00 H new ATOM 0 HB ILE A 30 48.313 47.562 18.276 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.230 49.541 20.303 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.191 48.626 19.228 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.769 48.155 20.187 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.407 48.762 18.640 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.597 49.876 19.767 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.330 47.557 21.432 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.044 46.505 20.186 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.098 47.434 21.278 1.00 0.00 H new ATOM 490 N GLN A 31 49.528 48.784 15.765 1.00 0.00 N ATOM 491 CA GLN A 31 50.612 48.921 14.814 1.00 0.00 C ATOM 492 C GLN A 31 50.444 50.149 13.917 1.00 0.00 C ATOM 493 O GLN A 31 51.420 50.843 13.639 1.00 0.00 O ATOM 494 CB GLN A 31 50.746 47.647 13.984 1.00 0.00 C ATOM 495 CG GLN A 31 51.996 47.647 13.109 1.00 0.00 C ATOM 496 CD GLN A 31 52.131 46.379 12.262 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.174 45.883 11.671 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.326 45.812 12.129 1.00 0.00 N ATOM 0 H GLN A 31 49.042 47.889 15.703 1.00 0.00 H new ATOM 0 HA GLN A 31 51.532 49.072 15.379 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.773 46.785 14.650 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.865 47.534 13.353 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.973 48.516 12.452 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.877 47.750 13.743 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.134 46.207 12.610 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.435 44.982 11.546 1.00 0.00 H new ATOM 507 N ASP A 32 49.219 50.472 13.515 1.00 0.00 N ATOM 508 CA ASP A 32 48.907 51.650 12.730 1.00 0.00 C ATOM 509 C ASP A 32 49.275 52.977 13.396 1.00 0.00 C ATOM 510 O ASP A 32 49.667 53.894 12.679 1.00 0.00 O ATOM 511 CB ASP A 32 47.427 51.587 12.363 1.00 0.00 C ATOM 512 CG ASP A 32 46.957 52.816 11.582 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.313 52.955 10.392 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.194 53.622 12.157 1.00 0.00 O ATOM 0 H ASP A 32 48.400 49.905 13.734 1.00 0.00 H new ATOM 0 HA ASP A 32 49.531 51.634 11.836 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.243 50.692 11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.835 51.493 13.274 1.00 0.00 H new ATOM 519 N LYS A 33 49.207 53.102 14.719 1.00 0.00 N ATOM 520 CA LYS A 33 49.517 54.326 15.429 1.00 0.00 C ATOM 521 C LYS A 33 50.746 54.304 16.340 1.00 0.00 C ATOM 522 O LYS A 33 51.117 55.365 16.837 1.00 0.00 O ATOM 523 CB LYS A 33 48.267 54.923 16.070 1.00 0.00 C ATOM 524 CG LYS A 33 47.715 54.162 17.272 1.00 0.00 C ATOM 525 CD LYS A 33 46.639 54.950 18.012 1.00 0.00 C ATOM 526 CE LYS A 33 45.432 55.291 17.142 1.00 0.00 C ATOM 527 NZ LYS A 33 44.520 56.220 17.828 1.00 0.00 N ATOM 0 H LYS A 33 48.929 52.337 15.333 1.00 0.00 H new ATOM 0 HA LYS A 33 49.855 55.016 14.656 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.492 55.943 16.381 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.486 54.985 15.312 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.300 53.211 16.938 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.530 53.931 17.958 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.305 54.373 18.874 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.074 55.873 18.395 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.770 55.736 16.206 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.897 54.377 16.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.997 56.777 17.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.848 55.680 18.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.069 56.860 18.437 1.00 0.00 H new ATOM 541 N GLU A 34 51.394 53.160 16.543 1.00 0.00 N ATOM 542 CA GLU A 34 52.600 53.015 17.332 1.00 0.00 C ATOM 543 C GLU A 34 53.716 52.199 16.678 1.00 0.00 C ATOM 544 O GLU A 34 54.817 52.152 17.224 1.00 0.00 O ATOM 545 CB GLU A 34 52.264 52.416 18.694 1.00 0.00 C ATOM 546 CG GLU A 34 51.598 53.384 19.668 1.00 0.00 C ATOM 547 CD GLU A 34 52.539 54.421 20.285 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.694 54.613 19.848 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.131 55.071 21.271 1.00 0.00 O ATOM 0 H GLU A 34 51.075 52.277 16.144 1.00 0.00 H new ATOM 0 HA GLU A 34 52.996 54.026 17.429 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.606 51.559 18.547 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.181 52.040 19.147 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.795 53.906 19.148 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.136 52.809 20.471 1.00 0.00 H new ATOM 556 N GLY A 35 53.507 51.528 15.549 1.00 0.00 N ATOM 557 CA GLY A 35 54.573 50.847 14.841 1.00 0.00 C ATOM 558 C GLY A 35 55.111 49.565 15.479 1.00 0.00 C ATOM 559 O GLY A 35 56.108 49.025 15.005 1.00 0.00 O ATOM 0 H GLY A 35 52.593 51.444 15.104 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.216 50.605 13.840 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.403 51.543 14.724 1.00 0.00 H new ATOM 563 N ILE A 36 54.470 49.048 16.524 1.00 0.00 N ATOM 564 CA ILE A 36 54.873 47.844 17.221 1.00 0.00 C ATOM 565 C ILE A 36 54.359 46.630 16.446 1.00 0.00 C ATOM 566 O ILE A 36 53.148 46.543 16.248 1.00 0.00 O ATOM 567 CB ILE A 36 54.357 47.842 18.657 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.752 49.101 19.426 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.870 46.609 19.395 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.997 49.299 20.738 1.00 0.00 C ATOM 0 H ILE A 36 53.630 49.474 16.916 1.00 0.00 H new ATOM 0 HA ILE A 36 55.961 47.803 17.275 1.00 0.00 H new ATOM 0 HB ILE A 36 53.269 47.821 18.603 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.821 49.063 19.638 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.584 49.969 18.789 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.497 46.616 20.419 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.521 45.710 18.888 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.960 46.619 19.406 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.338 50.215 21.219 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.928 49.372 20.535 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.184 48.451 21.397 1.00 0.00 H new ATOM 582 N PRO A 37 55.185 45.678 16.023 1.00 0.00 N ATOM 583 CA PRO A 37 54.725 44.540 15.252 1.00 0.00 C ATOM 584 C PRO A 37 53.851 43.601 16.085 1.00 0.00 C ATOM 585 O PRO A 37 54.264 43.232 17.182 1.00 0.00 O ATOM 586 CB PRO A 37 55.975 43.852 14.713 1.00 0.00 C ATOM 587 CG PRO A 37 57.066 44.253 15.701 1.00 0.00 C ATOM 588 CD PRO A 37 56.624 45.634 16.180 1.00 0.00 C ATOM 0 HA PRO A 37 54.083 44.858 14.431 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.850 42.770 14.673 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.210 44.184 13.702 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.139 43.546 16.527 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.046 44.288 15.225 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.907 45.793 17.221 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.103 46.420 15.596 1.00 0.00 H new ATOM 596 N PRO A 38 52.678 43.185 15.617 1.00 0.00 N ATOM 597 CA PRO A 38 51.771 42.294 16.313 1.00 0.00 C ATOM 598 C PRO A 38 52.382 41.014 16.887 1.00 0.00 C ATOM 599 O PRO A 38 51.983 40.593 17.970 1.00 0.00 O ATOM 600 CB PRO A 38 50.672 41.966 15.305 1.00 0.00 C ATOM 601 CG PRO A 38 50.543 43.283 14.547 1.00 0.00 C ATOM 602 CD PRO A 38 52.003 43.718 14.450 1.00 0.00 C ATOM 0 HA PRO A 38 51.414 42.804 17.208 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.952 41.142 14.649 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.740 41.682 15.794 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.088 43.149 13.566 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.933 44.009 15.085 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.459 43.341 13.534 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.081 44.805 14.421 1.00 0.00 H new ATOM 610 N ASP A 39 53.393 40.431 16.248 1.00 0.00 N ATOM 611 CA ASP A 39 54.100 39.278 16.767 1.00 0.00 C ATOM 612 C ASP A 39 54.837 39.555 18.079 1.00 0.00 C ATOM 613 O ASP A 39 55.036 38.643 18.877 1.00 0.00 O ATOM 614 CB ASP A 39 55.028 38.766 15.669 1.00 0.00 C ATOM 615 CG ASP A 39 55.912 37.602 16.122 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.150 37.773 16.128 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.381 36.518 16.448 1.00 0.00 O ATOM 0 H ASP A 39 53.743 40.754 15.346 1.00 0.00 H new ATOM 0 HA ASP A 39 53.377 38.507 17.032 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.430 38.449 14.815 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.662 39.584 15.327 1.00 0.00 H new ATOM 622 N GLN A 40 55.191 40.807 18.353 1.00 0.00 N ATOM 623 CA GLN A 40 55.799 41.266 19.586 1.00 0.00 C ATOM 624 C GLN A 40 54.821 41.936 20.553 1.00 0.00 C ATOM 625 O GLN A 40 55.217 42.283 21.664 1.00 0.00 O ATOM 626 CB GLN A 40 56.979 42.183 19.273 1.00 0.00 C ATOM 627 CG GLN A 40 58.103 41.470 18.526 1.00 0.00 C ATOM 628 CD GLN A 40 59.367 42.328 18.446 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.733 42.858 17.398 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.067 42.507 19.561 1.00 0.00 N ATOM 0 H GLN A 40 55.052 41.563 17.683 1.00 0.00 H new ATOM 0 HA GLN A 40 56.151 40.376 20.108 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.630 43.025 18.676 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.371 42.593 20.204 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.333 40.530 19.027 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.769 41.221 17.519 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.763 42.067 20.430 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.908 43.084 19.548 1.00 0.00 H new ATOM 639 N GLN A 41 53.554 42.100 20.184 1.00 0.00 N ATOM 640 CA GLN A 41 52.532 42.620 21.069 1.00 0.00 C ATOM 641 C GLN A 41 51.939 41.511 21.940 1.00 0.00 C ATOM 642 O GLN A 41 51.449 40.510 21.421 1.00 0.00 O ATOM 643 CB GLN A 41 51.420 43.312 20.284 1.00 0.00 C ATOM 644 CG GLN A 41 51.846 44.580 19.551 1.00 0.00 C ATOM 645 CD GLN A 41 50.655 45.245 18.857 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.556 45.319 19.402 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.791 45.745 17.632 1.00 0.00 N ATOM 0 H GLN A 41 53.211 41.871 19.251 1.00 0.00 H new ATOM 0 HA GLN A 41 53.010 43.355 21.717 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.016 42.608 19.557 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.611 43.561 20.971 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.295 45.278 20.258 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.611 44.337 18.813 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.693 45.696 17.158 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.993 46.178 17.166 1.00 0.00 H new ATOM 656 N ARG A 42 51.906 41.715 23.253 1.00 0.00 N ATOM 657 CA ARG A 42 51.237 40.875 24.225 1.00 0.00 C ATOM 658 C ARG A 42 50.225 41.708 25.015 1.00 0.00 C ATOM 659 O ARG A 42 50.624 42.599 25.762 1.00 0.00 O ATOM 660 CB ARG A 42 52.315 40.218 25.084 1.00 0.00 C ATOM 661 CG ARG A 42 51.792 39.328 26.207 1.00 0.00 C ATOM 662 CD ARG A 42 52.958 38.700 26.966 1.00 0.00 C ATOM 663 NE ARG A 42 52.503 38.006 28.172 1.00 0.00 N ATOM 664 CZ ARG A 42 52.809 38.313 29.441 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.759 39.195 29.781 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.140 37.750 30.456 1.00 0.00 N ATOM 0 H ARG A 42 52.371 42.514 23.684 1.00 0.00 H new ATOM 0 HA ARG A 42 50.656 40.080 23.758 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.959 39.621 24.438 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.937 41.000 25.520 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.177 39.915 26.890 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.154 38.547 25.795 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.480 37.998 26.316 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.675 39.475 27.239 1.00 0.00 H new ATOM 0 HE ARG A 42 51.888 37.204 28.032 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.294 39.673 29.056 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.947 39.388 30.765 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.392 37.083 30.266 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.379 37.988 31.419 1.00 0.00 H new ATOM 680 N LEU A 43 48.933 41.456 24.828 1.00 0.00 N ATOM 681 CA LEU A 43 47.843 42.188 25.442 1.00 0.00 C ATOM 682 C LEU A 43 47.212 41.393 26.587 1.00 0.00 C ATOM 683 O LEU A 43 46.845 40.236 26.401 1.00 0.00 O ATOM 684 CB LEU A 43 46.795 42.526 24.386 1.00 0.00 C ATOM 685 CG LEU A 43 47.227 43.575 23.366 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.317 43.522 22.142 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.146 44.983 23.951 1.00 0.00 C ATOM 0 H LEU A 43 48.609 40.705 24.219 1.00 0.00 H new ATOM 0 HA LEU A 43 48.242 43.110 25.864 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.527 41.612 23.855 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.894 42.878 24.889 1.00 0.00 H new ATOM 0 HG LEU A 43 48.258 43.354 23.090 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.634 44.275 21.420 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.378 42.534 21.686 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.289 43.720 22.444 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.460 45.708 23.200 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.120 45.194 24.252 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.800 45.054 24.820 1.00 0.00 H new ATOM 699 N ILE A 44 47.053 42.019 27.750 1.00 0.00 N ATOM 700 CA ILE A 44 46.428 41.457 28.930 1.00 0.00 C ATOM 701 C ILE A 44 45.180 42.255 29.318 1.00 0.00 C ATOM 702 O ILE A 44 45.208 43.483 29.349 1.00 0.00 O ATOM 703 CB ILE A 44 47.394 41.365 30.108 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.828 40.956 29.784 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.841 40.449 31.196 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.022 39.553 29.215 1.00 0.00 C ATOM 0 H ILE A 44 47.374 42.976 27.896 1.00 0.00 H new ATOM 0 HA ILE A 44 46.129 40.440 28.677 1.00 0.00 H new ATOM 0 HB ILE A 44 47.465 42.396 30.454 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.235 41.673 29.071 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.421 41.040 30.695 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.548 40.400 32.024 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.889 40.842 31.554 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.690 39.449 30.788 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.082 39.380 29.026 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.656 38.816 29.930 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.467 39.459 28.282 1.00 0.00 H new ATOM 718 N PHE A 45 44.100 41.562 29.667 1.00 0.00 N ATOM 719 CA PHE A 45 42.936 42.109 30.331 1.00 0.00 C ATOM 720 C PHE A 45 42.333 41.088 31.299 1.00 0.00 C ATOM 721 O PHE A 45 42.281 39.898 30.993 1.00 0.00 O ATOM 722 CB PHE A 45 41.904 42.569 29.305 1.00 0.00 C ATOM 723 CG PHE A 45 40.652 43.180 29.887 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.650 44.525 30.279 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.484 42.420 30.016 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.481 45.113 30.776 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.311 43.008 30.501 1.00 0.00 C ATOM 728 CZ PHE A 45 38.306 44.357 30.877 1.00 0.00 C ATOM 0 H PHE A 45 44.015 40.562 29.484 1.00 0.00 H new ATOM 0 HA PHE A 45 43.246 42.977 30.913 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.372 43.298 28.643 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.621 41.715 28.689 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.554 45.110 30.197 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.488 41.376 29.740 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.485 46.149 31.081 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.408 42.421 30.586 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.399 44.813 31.244 1.00 0.00 H new ATOM 738 N ALA A 46 41.886 41.534 32.469 1.00 0.00 N ATOM 739 CA ALA A 46 41.347 40.702 33.526 1.00 0.00 C ATOM 740 C ALA A 46 42.235 39.523 33.930 1.00 0.00 C ATOM 741 O ALA A 46 41.751 38.454 34.296 1.00 0.00 O ATOM 742 CB ALA A 46 39.903 40.338 33.192 1.00 0.00 C ATOM 0 H ALA A 46 41.892 42.525 32.711 1.00 0.00 H new ATOM 0 HA ALA A 46 41.339 41.287 34.446 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.493 39.712 33.984 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.309 41.248 33.105 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.874 39.794 32.248 1.00 0.00 H new ATOM 748 N GLY A 47 43.551 39.685 33.831 1.00 0.00 N ATOM 749 CA GLY A 47 44.557 38.667 34.054 1.00 0.00 C ATOM 750 C GLY A 47 44.776 37.684 32.902 1.00 0.00 C ATOM 751 O GLY A 47 45.760 36.948 32.934 1.00 0.00 O ATOM 0 H GLY A 47 43.961 40.584 33.578 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.504 39.160 34.271 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.282 38.100 34.943 1.00 0.00 H new ATOM 755 N LYS A 48 43.925 37.664 31.881 1.00 0.00 N ATOM 756 CA LYS A 48 44.029 36.781 30.737 1.00 0.00 C ATOM 757 C LYS A 48 44.794 37.435 29.585 1.00 0.00 C ATOM 758 O LYS A 48 44.632 38.625 29.324 1.00 0.00 O ATOM 759 CB LYS A 48 42.652 36.302 30.286 1.00 0.00 C ATOM 760 CG LYS A 48 41.933 35.462 31.339 1.00 0.00 C ATOM 761 CD LYS A 48 40.713 34.777 30.730 1.00 0.00 C ATOM 762 CE LYS A 48 39.768 34.120 31.731 1.00 0.00 C ATOM 763 NZ LYS A 48 40.398 33.068 32.544 1.00 0.00 N ATOM 0 H LYS A 48 43.118 38.286 31.831 1.00 0.00 H new ATOM 0 HA LYS A 48 44.601 35.908 31.050 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.037 37.167 30.038 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.759 35.715 29.374 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.614 34.713 31.744 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.625 36.096 32.171 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.152 35.514 30.155 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.056 34.018 30.027 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.367 34.887 32.394 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.923 33.692 31.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.696 32.669 33.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.757 32.316 31.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.187 33.474 33.087 1.00 0.00 H new ATOM 777 N GLN A 49 45.603 36.652 28.878 1.00 0.00 N ATOM 778 CA GLN A 49 46.356 37.065 27.711 1.00 0.00 C ATOM 779 C GLN A 49 45.497 36.901 26.456 1.00 0.00 C ATOM 780 O GLN A 49 45.090 35.793 26.113 1.00 0.00 O ATOM 781 CB GLN A 49 47.640 36.243 27.655 1.00 0.00 C ATOM 782 CG GLN A 49 48.592 36.682 26.546 1.00 0.00 C ATOM 783 CD GLN A 49 49.767 35.705 26.457 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.850 35.948 26.983 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.572 34.558 25.811 1.00 0.00 N ATOM 0 H GLN A 49 45.754 35.672 29.117 1.00 0.00 H new ATOM 0 HA GLN A 49 46.627 38.119 27.770 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.152 36.317 28.614 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.385 35.193 27.510 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.064 36.718 25.593 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.958 37.689 26.746 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.670 34.364 25.377 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.325 33.873 25.750 1.00 0.00 H new ATOM 794 N LEU A 50 45.216 38.000 25.762 1.00 0.00 N ATOM 795 CA LEU A 50 44.222 38.061 24.710 1.00 0.00 C ATOM 796 C LEU A 50 44.762 37.488 23.398 1.00 0.00 C ATOM 797 O LEU A 50 45.868 37.834 22.990 1.00 0.00 O ATOM 798 CB LEU A 50 43.727 39.498 24.565 1.00 0.00 C ATOM 799 CG LEU A 50 43.362 40.210 25.863 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.830 41.604 25.545 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.318 39.457 26.682 1.00 0.00 C ATOM 0 H LEU A 50 45.687 38.890 25.924 1.00 0.00 H new ATOM 0 HA LEU A 50 43.371 37.436 24.979 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.499 40.078 24.059 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.852 39.497 23.915 1.00 0.00 H new ATOM 0 HG LEU A 50 44.271 40.264 26.462 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.569 42.114 26.472 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.596 42.175 25.020 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.945 41.521 24.915 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.100 40.014 27.594 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.405 39.348 26.096 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.702 38.471 26.942 1.00 0.00 H new ATOM 813 N GLU A 51 43.994 36.625 22.739 1.00 0.00 N ATOM 814 CA GLU A 51 44.435 35.858 21.591 1.00 0.00 C ATOM 815 C GLU A 51 43.764 36.264 20.277 1.00 0.00 C ATOM 816 O GLU A 51 42.566 36.536 20.230 1.00 0.00 O ATOM 817 CB GLU A 51 44.284 34.364 21.861 1.00 0.00 C ATOM 818 CG GLU A 51 45.263 33.551 21.020 1.00 0.00 C ATOM 819 CD GLU A 51 45.051 32.049 21.223 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.330 31.435 20.408 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.604 31.492 22.195 1.00 0.00 O ATOM 0 H GLU A 51 43.025 36.439 22.999 1.00 0.00 H new ATOM 0 HA GLU A 51 45.491 36.090 21.453 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.455 34.164 22.919 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.263 34.053 21.639 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.136 33.800 19.966 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.285 33.816 21.289 1.00 0.00 H new ATOM 828 N ASP A 52 44.540 36.265 19.198 1.00 0.00 N ATOM 829 CA ASP A 52 44.279 36.871 17.908 1.00 0.00 C ATOM 830 C ASP A 52 42.918 36.611 17.260 1.00 0.00 C ATOM 831 O ASP A 52 42.424 37.467 16.529 1.00 0.00 O ATOM 832 CB ASP A 52 45.356 36.390 16.938 1.00 0.00 C ATOM 833 CG ASP A 52 46.767 36.770 17.391 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.134 37.960 17.290 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.513 35.885 17.863 1.00 0.00 O ATOM 0 H ASP A 52 45.447 35.799 19.211 1.00 0.00 H new ATOM 0 HA ASP A 52 44.284 37.943 18.108 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.290 35.307 16.836 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.168 36.815 15.952 1.00 0.00 H new ATOM 840 N GLY A 53 42.316 35.442 17.465 1.00 0.00 N ATOM 841 CA GLY A 53 41.056 35.039 16.874 1.00 0.00 C ATOM 842 C GLY A 53 39.810 35.304 17.722 1.00 0.00 C ATOM 843 O GLY A 53 38.701 35.172 17.211 1.00 0.00 O ATOM 0 H GLY A 53 42.714 34.726 18.073 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.941 35.556 15.921 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.103 33.972 16.655 1.00 0.00 H new ATOM 847 N ARG A 54 39.962 35.675 18.989 1.00 0.00 N ATOM 848 CA ARG A 54 38.871 36.055 19.864 1.00 0.00 C ATOM 849 C ARG A 54 38.457 37.511 19.639 1.00 0.00 C ATOM 850 O ARG A 54 39.204 38.292 19.055 1.00 0.00 O ATOM 851 CB ARG A 54 39.258 35.778 21.313 1.00 0.00 C ATOM 852 CG ARG A 54 39.446 34.315 21.703 1.00 0.00 C ATOM 853 CD ARG A 54 38.198 33.450 21.548 1.00 0.00 C ATOM 854 NE ARG A 54 38.049 32.932 20.188 1.00 0.00 N ATOM 855 CZ ARG A 54 36.922 32.819 19.472 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.729 33.241 19.915 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.934 32.274 18.248 1.00 0.00 N ATOM 0 H ARG A 54 40.874 35.719 19.443 1.00 0.00 H new ATOM 0 HA ARG A 54 37.995 35.451 19.627 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.186 36.309 21.525 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.491 36.207 21.958 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.244 33.890 21.094 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.777 34.269 22.740 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.247 32.617 22.249 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.317 34.036 21.810 1.00 0.00 H new ATOM 0 HE ARG A 54 38.905 32.620 19.730 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.650 33.671 20.836 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.900 33.132 19.331 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.810 31.938 17.848 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.067 32.195 17.716 1.00 0.00 H new ATOM 871 N THR A 55 37.269 37.877 20.113 1.00 0.00 N ATOM 872 CA THR A 55 36.753 39.229 20.057 1.00 0.00 C ATOM 873 C THR A 55 36.783 39.903 21.431 1.00 0.00 C ATOM 874 O THR A 55 36.953 39.232 22.446 1.00 0.00 O ATOM 875 CB THR A 55 35.348 39.303 19.465 1.00 0.00 C ATOM 876 OG1 THR A 55 34.389 38.845 20.392 1.00 0.00 O ATOM 877 CG2 THR A 55 35.175 38.518 18.169 1.00 0.00 C ATOM 0 H THR A 55 36.627 37.220 20.557 1.00 0.00 H new ATOM 0 HA THR A 55 37.419 39.773 19.387 1.00 0.00 H new ATOM 0 HB THR A 55 35.197 40.357 19.233 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.601 37.925 20.654 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.150 38.622 17.815 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.861 38.905 17.415 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.391 37.465 18.350 1.00 0.00 H new ATOM 885 N LEU A 56 36.559 41.213 21.497 1.00 0.00 N ATOM 886 CA LEU A 56 36.440 41.924 22.755 1.00 0.00 C ATOM 887 C LEU A 56 35.348 41.344 23.657 1.00 0.00 C ATOM 888 O LEU A 56 35.530 41.225 24.866 1.00 0.00 O ATOM 889 CB LEU A 56 36.177 43.404 22.491 1.00 0.00 C ATOM 890 CG LEU A 56 37.423 44.224 22.169 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.967 43.982 20.764 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.084 45.708 22.276 1.00 0.00 C ATOM 0 H LEU A 56 36.456 41.807 20.675 1.00 0.00 H new ATOM 0 HA LEU A 56 37.385 41.806 23.286 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.476 43.492 21.661 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.691 43.835 23.366 1.00 0.00 H new ATOM 0 HG LEU A 56 38.186 43.915 22.884 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.852 44.598 20.605 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.232 42.931 20.652 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.206 44.244 20.029 1.00 0.00 H new ATOM 0 HD21 LEU A 56 37.970 46.301 22.047 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.291 45.952 21.569 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.749 45.933 23.289 1.00 0.00 H new ATOM 904 N SER A 57 34.231 40.925 23.070 1.00 0.00 N ATOM 905 CA SER A 57 33.119 40.314 23.770 1.00 0.00 C ATOM 906 C SER A 57 33.404 38.919 24.331 1.00 0.00 C ATOM 907 O SER A 57 32.713 38.504 25.259 1.00 0.00 O ATOM 908 CB SER A 57 31.873 40.304 22.889 1.00 0.00 C ATOM 909 OG SER A 57 32.014 39.485 21.751 1.00 0.00 O ATOM 0 H SER A 57 34.076 41.006 22.065 1.00 0.00 H new ATOM 0 HA SER A 57 32.946 40.940 24.645 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.022 39.959 23.476 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.650 41.323 22.572 1.00 0.00 H new ATOM 0 HG SER A 57 32.959 39.442 21.494 1.00 0.00 H new ATOM 915 N ASP A 58 34.430 38.216 23.860 1.00 0.00 N ATOM 916 CA ASP A 58 34.889 36.961 24.422 1.00 0.00 C ATOM 917 C ASP A 58 35.630 37.118 25.750 1.00 0.00 C ATOM 918 O ASP A 58 35.860 36.126 26.439 1.00 0.00 O ATOM 919 CB ASP A 58 35.778 36.221 23.428 1.00 0.00 C ATOM 920 CG ASP A 58 35.014 35.651 22.231 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.731 34.434 22.237 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.732 36.391 21.263 1.00 0.00 O ATOM 0 H ASP A 58 34.977 38.517 23.053 1.00 0.00 H new ATOM 0 HA ASP A 58 33.989 36.382 24.627 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.549 36.901 23.066 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.288 35.407 23.944 1.00 0.00 H new ATOM 927 N TYR A 59 35.992 38.340 26.130 1.00 0.00 N ATOM 928 CA TYR A 59 36.666 38.669 27.370 1.00 0.00 C ATOM 929 C TYR A 59 35.927 39.706 28.220 1.00 0.00 C ATOM 930 O TYR A 59 36.468 40.165 29.224 1.00 0.00 O ATOM 931 CB TYR A 59 38.089 39.122 27.060 1.00 0.00 C ATOM 932 CG TYR A 59 38.949 38.130 26.311 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.538 37.056 26.988 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.218 38.329 24.952 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.418 36.192 26.326 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.118 37.488 24.286 1.00 0.00 C ATOM 937 CZ TYR A 59 40.719 36.412 24.967 1.00 0.00 C ATOM 938 OH TYR A 59 41.610 35.614 24.310 1.00 0.00 O ATOM 0 H TYR A 59 35.813 39.161 25.552 1.00 0.00 H new ATOM 0 HA TYR A 59 36.684 37.765 27.979 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.038 40.042 26.478 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.585 39.367 27.999 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.311 36.892 28.031 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.731 39.131 24.417 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.864 35.362 26.854 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.352 37.665 23.247 1.00 0.00 H new ATOM 0 HH TYR A 59 41.294 34.687 24.328 1.00 0.00 H new ATOM 948 N ASN A 60 34.712 40.098 27.847 1.00 0.00 N ATOM 949 CA ASN A 60 33.931 41.139 28.482 1.00 0.00 C ATOM 950 C ASN A 60 34.661 42.476 28.625 1.00 0.00 C ATOM 951 O ASN A 60 34.563 43.148 29.650 1.00 0.00 O ATOM 952 CB ASN A 60 33.257 40.604 29.743 1.00 0.00 C ATOM 953 CG ASN A 60 32.061 41.460 30.167 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.010 42.053 31.241 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.036 41.551 29.325 1.00 0.00 N ATOM 0 H ASN A 60 34.228 39.674 27.055 1.00 0.00 H new ATOM 0 HA ASN A 60 33.122 41.414 27.805 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.925 39.580 29.569 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.984 40.570 30.555 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.219 42.109 29.574 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.066 41.063 28.430 1.00 0.00 H new ATOM 962 N ILE A 61 35.384 42.874 27.583 1.00 0.00 N ATOM 963 CA ILE A 61 35.925 44.207 27.413 1.00 0.00 C ATOM 964 C ILE A 61 34.785 45.130 26.977 1.00 0.00 C ATOM 965 O ILE A 61 33.945 44.736 26.171 1.00 0.00 O ATOM 966 CB ILE A 61 37.080 44.175 26.417 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.239 43.326 26.932 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.587 45.573 26.075 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.154 42.798 25.830 1.00 0.00 C ATOM 0 H ILE A 61 35.614 42.251 26.809 1.00 0.00 H new ATOM 0 HA ILE A 61 36.336 44.592 28.346 1.00 0.00 H new ATOM 0 HB ILE A 61 36.683 43.723 25.508 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.830 43.920 27.629 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.838 42.482 27.493 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.409 45.498 25.363 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.778 46.156 25.635 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.937 46.065 26.982 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.953 42.204 26.274 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.577 42.176 25.145 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.586 43.636 25.283 1.00 0.00 H new ATOM 981 N GLN A 62 34.726 46.342 27.522 1.00 0.00 N ATOM 982 CA GLN A 62 33.603 47.247 27.381 1.00 0.00 C ATOM 983 C GLN A 62 34.014 48.679 27.032 1.00 0.00 C ATOM 984 O GLN A 62 35.198 49.000 26.947 1.00 0.00 O ATOM 985 CB GLN A 62 32.779 47.236 28.665 1.00 0.00 C ATOM 986 CG GLN A 62 32.343 45.848 29.129 1.00 0.00 C ATOM 987 CD GLN A 62 31.249 45.902 30.198 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.479 46.853 30.304 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.091 44.876 31.030 1.00 0.00 N ATOM 0 H GLN A 62 35.482 46.727 28.088 1.00 0.00 H new ATOM 0 HA GLN A 62 33.008 46.888 26.541 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.361 47.704 29.459 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.891 47.851 28.517 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.981 45.280 28.272 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.206 45.313 29.525 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.713 44.070 30.969 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.348 44.895 31.728 1.00 0.00 H new ATOM 998 N LYS A 63 33.035 49.563 26.868 1.00 0.00 N ATOM 999 CA LYS A 63 33.219 50.991 26.713 1.00 0.00 C ATOM 1000 C LYS A 63 34.098 51.590 27.813 1.00 0.00 C ATOM 1001 O LYS A 63 33.860 51.382 29.000 1.00 0.00 O ATOM 1002 CB LYS A 63 31.871 51.701 26.612 1.00 0.00 C ATOM 1003 CG LYS A 63 30.847 51.329 27.680 1.00 0.00 C ATOM 1004 CD LYS A 63 29.676 52.307 27.727 1.00 0.00 C ATOM 1005 CE LYS A 63 28.653 51.941 28.798 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.207 52.061 30.155 1.00 0.00 N ATOM 0 H LYS A 63 32.054 49.287 26.839 1.00 0.00 H new ATOM 0 HA LYS A 63 33.755 51.151 25.778 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.043 52.776 26.658 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.441 51.489 25.633 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.471 50.325 27.485 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.335 51.303 28.654 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.053 53.312 27.917 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.186 52.330 26.754 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.782 52.590 28.704 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.309 50.919 28.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.443 51.953 30.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.921 51.320 30.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.649 52.995 30.268 1.00 0.00 H new ATOM 1020 N GLU A 64 35.128 52.331 27.414 1.00 0.00 N ATOM 1021 CA GLU A 64 36.153 52.906 28.262 1.00 0.00 C ATOM 1022 C GLU A 64 36.930 51.911 29.126 1.00 0.00 C ATOM 1023 O GLU A 64 37.472 52.270 30.169 1.00 0.00 O ATOM 1024 CB GLU A 64 35.639 54.118 29.033 1.00 0.00 C ATOM 1025 CG GLU A 64 35.097 55.209 28.114 1.00 0.00 C ATOM 1026 CD GLU A 64 34.951 56.541 28.854 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.665 57.508 28.511 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.119 56.644 29.781 1.00 0.00 O ATOM 0 H GLU A 64 35.273 52.556 26.430 1.00 0.00 H new ATOM 0 HA GLU A 64 36.916 53.266 27.572 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.853 53.802 29.719 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.446 54.527 29.640 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.766 55.335 27.263 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.129 54.904 27.716 1.00 0.00 H new ATOM 1035 N SER A 65 37.025 50.652 28.709 1.00 0.00 N ATOM 1036 CA SER A 65 37.982 49.713 29.259 1.00 0.00 C ATOM 1037 C SER A 65 39.414 50.062 28.847 1.00 0.00 C ATOM 1038 O SER A 65 39.637 50.658 27.796 1.00 0.00 O ATOM 1039 CB SER A 65 37.661 48.281 28.839 1.00 0.00 C ATOM 1040 OG SER A 65 36.489 47.795 29.455 1.00 0.00 O ATOM 0 H SER A 65 36.435 50.258 27.976 1.00 0.00 H new ATOM 0 HA SER A 65 37.906 49.786 30.344 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.544 48.239 27.756 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.499 47.633 29.094 1.00 0.00 H new ATOM 0 HG SER A 65 36.619 46.859 29.713 1.00 0.00 H new ATOM 1046 N THR A 66 40.393 49.658 29.651 1.00 0.00 N ATOM 1047 CA THR A 66 41.811 49.804 29.389 1.00 0.00 C ATOM 1048 C THR A 66 42.471 48.432 29.249 1.00 0.00 C ATOM 1049 O THR A 66 42.315 47.580 30.121 1.00 0.00 O ATOM 1050 CB THR A 66 42.512 50.609 30.480 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.988 51.916 30.549 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.005 50.795 30.225 1.00 0.00 C ATOM 0 H THR A 66 40.205 49.200 30.543 1.00 0.00 H new ATOM 0 HA THR A 66 41.913 50.352 28.452 1.00 0.00 H new ATOM 0 HB THR A 66 42.350 50.037 31.394 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.448 52.416 31.255 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.443 51.375 31.037 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.490 49.820 30.173 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.150 51.323 29.282 1.00 0.00 H new ATOM 1060 N LEU A 67 43.254 48.231 28.192 1.00 0.00 N ATOM 1061 CA LEU A 67 44.057 47.048 27.961 1.00 0.00 C ATOM 1062 C LEU A 67 45.516 47.309 28.342 1.00 0.00 C ATOM 1063 O LEU A 67 46.038 48.395 28.104 1.00 0.00 O ATOM 1064 CB LEU A 67 43.952 46.597 26.508 1.00 0.00 C ATOM 1065 CG LEU A 67 42.546 46.455 25.930 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.637 45.916 24.505 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.667 45.504 26.736 1.00 0.00 C ATOM 0 H LEU A 67 43.345 48.921 27.446 1.00 0.00 H new ATOM 0 HA LEU A 67 43.674 46.246 28.592 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.502 47.308 25.891 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.457 45.635 26.414 1.00 0.00 H new ATOM 0 HG LEU A 67 42.093 47.446 25.960 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.634 45.814 24.090 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.215 46.607 23.891 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.127 44.942 24.515 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.680 45.444 26.277 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.121 44.513 26.751 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.571 45.875 27.757 1.00 0.00 H new ATOM 1079 N HIS A 68 46.198 46.304 28.885 1.00 0.00 N ATOM 1080 CA HIS A 68 47.604 46.375 29.230 1.00 0.00 C ATOM 1081 C HIS A 68 48.433 45.785 28.086 1.00 0.00 C ATOM 1082 O HIS A 68 48.326 44.592 27.809 1.00 0.00 O ATOM 1083 CB HIS A 68 47.868 45.636 30.538 1.00 0.00 C ATOM 1084 CG HIS A 68 47.168 46.203 31.742 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.790 46.850 32.809 1.00 0.00 N ATOM 1086 CD2 HIS A 68 45.821 46.141 31.989 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.814 47.222 33.640 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.622 46.805 33.183 1.00 0.00 N ATOM 0 H HIS A 68 45.774 45.401 29.100 1.00 0.00 H new ATOM 0 HA HIS A 68 47.893 47.416 29.375 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.566 44.596 30.417 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.941 45.636 30.727 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.069 45.669 31.375 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.962 47.780 34.553 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.722 46.954 33.640 1.00 0.00 H new ATOM 1096 N LEU A 69 49.245 46.600 27.421 1.00 0.00 N ATOM 1097 CA LEU A 69 50.164 46.149 26.396 1.00 0.00 C ATOM 1098 C LEU A 69 51.554 45.913 26.989 1.00 0.00 C ATOM 1099 O LEU A 69 52.072 46.757 27.716 1.00 0.00 O ATOM 1100 CB LEU A 69 50.180 47.158 25.250 1.00 0.00 C ATOM 1101 CG LEU A 69 51.169 46.862 24.126 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.896 45.553 23.391 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.123 47.990 23.098 1.00 0.00 C ATOM 0 H LEU A 69 49.280 47.606 27.585 1.00 0.00 H new ATOM 0 HA LEU A 69 49.831 45.193 25.993 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.178 47.213 24.824 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.406 48.143 25.659 1.00 0.00 H new ATOM 0 HG LEU A 69 52.145 46.777 24.603 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.641 45.414 22.607 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.950 44.722 24.095 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.902 45.587 22.945 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.829 47.779 22.295 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.117 48.066 22.686 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.390 48.931 23.578 1.00 0.00 H new ATOM 1115 N VAL A 70 52.180 44.793 26.639 1.00 0.00 N ATOM 1116 CA VAL A 70 53.549 44.439 26.955 1.00 0.00 C ATOM 1117 C VAL A 70 54.282 44.129 25.648 1.00 0.00 C ATOM 1118 O VAL A 70 53.739 43.454 24.775 1.00 0.00 O ATOM 1119 CB VAL A 70 53.601 43.261 27.923 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.031 42.977 28.373 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.772 43.513 29.180 1.00 0.00 C ATOM 0 H VAL A 70 51.712 44.069 26.095 1.00 0.00 H new ATOM 0 HA VAL A 70 54.042 45.273 27.455 1.00 0.00 H new ATOM 0 HB VAL A 70 53.193 42.411 27.376 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.035 42.132 29.062 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.645 42.740 27.505 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.436 43.856 28.874 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.839 42.648 29.840 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.153 44.394 29.697 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.731 43.678 28.902 1.00 0.00 H new ATOM 1131 N LEU A 71 55.507 44.620 25.494 1.00 0.00 N ATOM 1132 CA LEU A 71 56.353 44.335 24.352 1.00 0.00 C ATOM 1133 C LEU A 71 57.209 43.100 24.642 1.00 0.00 C ATOM 1134 O LEU A 71 57.942 43.076 25.628 1.00 0.00 O ATOM 1135 CB LEU A 71 57.209 45.550 24.005 1.00 0.00 C ATOM 1136 CG LEU A 71 56.491 46.693 23.292 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.501 47.455 24.169 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.522 47.696 22.782 1.00 0.00 C ATOM 0 H LEU A 71 55.944 45.239 26.176 1.00 0.00 H new ATOM 0 HA LEU A 71 55.731 44.120 23.483 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.643 45.939 24.926 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.036 45.219 23.377 1.00 0.00 H new ATOM 0 HG LEU A 71 55.924 46.228 22.485 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.035 48.249 23.586 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.733 46.771 24.529 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.027 47.890 25.019 1.00 0.00 H new ATOM 0 HD21 LEU A 71 57.013 48.514 22.272 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.092 48.091 23.623 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.199 47.200 22.086 1.00 0.00 H new ATOM 1150 N ARG A 72 57.144 42.079 23.793 1.00 0.00 N ATOM 1151 CA ARG A 72 57.892 40.843 23.898 1.00 0.00 C ATOM 1152 C ARG A 72 59.096 40.867 22.954 1.00 0.00 C ATOM 1153 O ARG A 72 58.944 41.141 21.765 1.00 0.00 O ATOM 1154 CB ARG A 72 56.919 39.699 23.627 1.00 0.00 C ATOM 1155 CG ARG A 72 57.515 38.302 23.766 1.00 0.00 C ATOM 1156 CD ARG A 72 56.437 37.224 23.687 1.00 0.00 C ATOM 1157 NE ARG A 72 55.695 37.292 22.429 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.435 36.900 22.196 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.703 36.208 23.079 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.824 37.198 21.041 1.00 0.00 N ATOM 0 H ARG A 72 56.536 42.098 22.974 1.00 0.00 H new ATOM 0 HA ARG A 72 58.314 40.706 24.894 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.076 39.788 24.312 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.522 39.810 22.618 1.00 0.00 H new ATOM 0 HG2 ARG A 72 58.252 38.140 22.979 1.00 0.00 H new ATOM 0 HG3 ARG A 72 58.041 38.223 24.717 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.898 36.241 23.785 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.747 37.338 24.523 1.00 0.00 H new ATOM 0 HE ARG A 72 56.197 37.685 21.633 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.101 35.953 23.983 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.748 35.936 22.847 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.318 37.730 20.325 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.865 36.893 20.878 1.00 0.00 H new ATOM 1174 N LEU A 73 60.296 40.610 23.467 1.00 0.00 N ATOM 1175 CA LEU A 73 61.531 40.690 22.714 1.00 0.00 C ATOM 1176 C LEU A 73 61.772 39.396 21.935 1.00 0.00 C ATOM 1177 O LEU A 73 61.912 38.327 22.526 1.00 0.00 O ATOM 1178 CB LEU A 73 62.692 41.024 23.646 1.00 0.00 C ATOM 1179 CG LEU A 73 62.874 42.505 23.965 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.657 43.174 24.599 1.00 0.00 C ATOM 1181 CD2 LEU A 73 64.046 42.672 24.927 1.00 0.00 C ATOM 0 H LEU A 73 60.433 40.335 24.440 1.00 0.00 H new ATOM 0 HA LEU A 73 61.453 41.494 21.982 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.551 40.483 24.582 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.613 40.651 23.198 1.00 0.00 H new ATOM 0 HG LEU A 73 63.044 42.991 23.004 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.878 44.224 24.791 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.807 43.100 23.921 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.417 42.676 25.539 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.180 43.729 25.158 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.843 42.123 25.846 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.954 42.284 24.465 1.00 0.00 H new ATOM 1193 N ARG A 74 61.842 39.493 20.610 1.00 0.00 N ATOM 1194 CA ARG A 74 62.016 38.380 19.699 1.00 0.00 C ATOM 1195 C ARG A 74 63.476 37.949 19.544 1.00 0.00 C ATOM 1196 O ARG A 74 63.736 36.760 19.377 1.00 0.00 O ATOM 1197 CB ARG A 74 61.374 38.750 18.364 1.00 0.00 C ATOM 1198 CG ARG A 74 61.497 37.645 17.319 1.00 0.00 C ATOM 1199 CD ARG A 74 60.677 37.955 16.070 1.00 0.00 C ATOM 1200 NE ARG A 74 60.957 36.981 15.015 1.00 0.00 N ATOM 1201 CZ ARG A 74 60.101 36.291 14.249 1.00 0.00 C ATOM 1202 NH1 ARG A 74 58.770 36.293 14.404 1.00 0.00 N ATOM 1203 NH2 ARG A 74 60.556 35.515 13.255 1.00 0.00 N ATOM 0 H ARG A 74 61.776 40.389 20.128 1.00 0.00 H new ATOM 0 HA ARG A 74 61.519 37.504 20.116 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.320 38.976 18.524 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.840 39.658 17.982 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.544 37.519 17.045 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.164 36.700 17.748 1.00 0.00 H new ATOM 0 HD2 ARG A 74 59.615 37.940 16.313 1.00 0.00 H new ATOM 0 HD3 ARG A 74 60.909 38.959 15.716 1.00 0.00 H new ATOM 0 HE ARG A 74 61.945 36.801 14.837 1.00 0.00 H new ATOM 0 HH11 ARG A 74 58.344 36.847 15.147 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.183 35.740 13.779 1.00 0.00 H new ATOM 0 HH21 ARG A 74 61.558 35.448 13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 74 59.900 34.992 12.675 1.00 0.00 H new ATOM 1217 N GLY A 75 64.417 38.883 19.646 1.00 0.00 N ATOM 1218 CA GLY A 75 65.842 38.639 19.552 1.00 0.00 C ATOM 1219 C GLY A 75 66.387 38.590 18.123 1.00 0.00 C ATOM 1220 O GLY A 75 65.777 39.118 17.197 1.00 0.00 O ATOM 0 H GLY A 75 64.193 39.866 19.802 1.00 0.00 H new ATOM 0 HA2 GLY A 75 66.368 39.420 20.101 1.00 0.00 H new ATOM 0 HA3 GLY A 75 66.069 37.694 20.046 1.00 0.00 H new ATOM 1224 N GLY A 76 67.552 37.970 17.959 1.00 0.00 N ATOM 1225 CA GLY A 76 68.288 37.858 16.716 1.00 0.00 C ATOM 1226 C GLY A 76 69.620 37.125 16.885 1.00 0.00 C ATOM 1227 O GLY A 76 69.648 35.880 16.766 1.00 0.00 O ATOM 1228 OXT GLY A 76 70.634 37.800 17.168 1.00 0.00 O ATOM 0 H GLY A 76 68.028 37.510 18.735 1.00 0.00 H new ATOM 0 HA2 GLY A 76 67.678 37.330 15.983 1.00 0.00 H new ATOM 0 HA3 GLY A 76 68.474 38.855 16.317 1.00 0.00 H new TER 1232 GLY A 76