USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 525 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 13 THR OG1 : rot 34:sc= 0.0532 USER MOD Single : A 16 THR OG1 : rot 93:sc= 0.746 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc=-0.00269 (180deg=-0.474) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 101:sc= 0.818 USER MOD Single : A 24 SER OG : rot 127:sc= 1.03 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -26:sc= 0.658 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.1!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 107:sc= 1.05 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= -0.22 (180deg=-0.543) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 87:sc= 1.21 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0735 USER MOD Single : A 60 MET CE :methyl -104:sc= -0.017 (180deg=-1.63!) USER MOD Single : A 61 SER OG : rot 83:sc= 0.0711 USER MOD Single : A 62 THR OG1 : rot 85:sc= -0.515 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 92:sc= 0.0334 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.48) USER MOD Single : A 73 SER OG : rot -105:sc= -0.3 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 83.090 -12.886 -13.753 1.00 0.00 N ATOM 2 CA THR A 13 82.850 -11.871 -14.812 1.00 0.00 C ATOM 3 C THR A 13 82.952 -10.454 -14.248 1.00 0.00 C ATOM 4 O THR A 13 84.028 -9.857 -14.249 1.00 0.00 O ATOM 5 CB THR A 13 81.464 -12.122 -15.415 1.00 0.00 C ATOM 6 OG1 THR A 13 81.415 -13.389 -16.047 1.00 0.00 O ATOM 7 CG2 THR A 13 81.055 -11.083 -16.438 1.00 0.00 C ATOM 0 HA THR A 13 83.612 -11.961 -15.587 1.00 0.00 H new ATOM 0 HB THR A 13 80.772 -12.071 -14.575 1.00 0.00 H new ATOM 0 HG1 THR A 13 81.981 -14.021 -15.557 1.00 0.00 H new ATOM 0 HG21 THR A 13 80.064 -11.322 -16.824 1.00 0.00 H new ATOM 0 HG22 THR A 13 81.034 -10.099 -15.969 1.00 0.00 H new ATOM 0 HG23 THR A 13 81.772 -11.078 -17.259 1.00 0.00 H new ATOM 15 N PHE A 14 81.834 -9.923 -13.759 1.00 0.00 N ATOM 16 CA PHE A 14 81.815 -8.583 -13.188 1.00 0.00 C ATOM 17 C PHE A 14 82.446 -8.588 -11.800 1.00 0.00 C ATOM 18 O PHE A 14 82.931 -7.562 -11.323 1.00 0.00 O ATOM 19 CB PHE A 14 80.381 -8.058 -13.110 1.00 0.00 C ATOM 20 CG PHE A 14 80.274 -6.573 -13.309 1.00 0.00 C ATOM 21 CD1 PHE A 14 80.698 -5.988 -14.491 1.00 0.00 C ATOM 22 CD2 PHE A 14 79.748 -5.763 -12.316 1.00 0.00 C ATOM 23 CE1 PHE A 14 80.601 -4.622 -14.678 1.00 0.00 C ATOM 24 CE2 PHE A 14 79.649 -4.396 -12.496 1.00 0.00 C ATOM 25 CZ PHE A 14 80.075 -3.825 -13.679 1.00 0.00 C ATOM 0 H PHE A 14 80.933 -10.400 -13.748 1.00 0.00 H new ATOM 0 HA PHE A 14 82.395 -7.925 -13.835 1.00 0.00 H new ATOM 0 HB2 PHE A 14 79.777 -8.562 -13.864 1.00 0.00 H new ATOM 0 HB3 PHE A 14 79.960 -8.318 -12.139 1.00 0.00 H new ATOM 0 HD1 PHE A 14 81.109 -6.606 -15.275 1.00 0.00 H new ATOM 0 HD2 PHE A 14 79.411 -6.205 -11.390 1.00 0.00 H new ATOM 0 HE1 PHE A 14 80.936 -4.178 -15.604 1.00 0.00 H new ATOM 0 HE2 PHE A 14 79.239 -3.776 -11.713 1.00 0.00 H new ATOM 0 HZ PHE A 14 79.997 -2.758 -13.823 1.00 0.00 H new ATOM 35 N LEU A 15 82.438 -9.754 -11.158 1.00 0.00 N ATOM 36 CA LEU A 15 83.013 -9.895 -9.826 1.00 0.00 C ATOM 37 C LEU A 15 84.525 -10.080 -9.904 1.00 0.00 C ATOM 38 O LEU A 15 85.255 -9.694 -8.992 1.00 0.00 O ATOM 39 CB LEU A 15 82.379 -11.082 -9.098 1.00 0.00 C ATOM 40 CG LEU A 15 82.569 -12.438 -9.781 1.00 0.00 C ATOM 41 CD1 LEU A 15 83.839 -13.113 -9.285 1.00 0.00 C ATOM 42 CD2 LEU A 15 81.361 -13.329 -9.540 1.00 0.00 C ATOM 0 H LEU A 15 82.040 -10.612 -11.539 1.00 0.00 H new ATOM 0 HA LEU A 15 82.805 -8.982 -9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 15 82.797 -11.137 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 15 81.311 -10.894 -8.990 1.00 0.00 H new ATOM 0 HG LEU A 15 82.666 -12.273 -10.854 1.00 0.00 H new ATOM 0 HD11 LEU A 15 83.957 -14.076 -9.782 1.00 0.00 H new ATOM 0 HD12 LEU A 15 84.698 -12.481 -9.509 1.00 0.00 H new ATOM 0 HD13 LEU A 15 83.773 -13.266 -8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 15 81.513 -14.289 -10.033 1.00 0.00 H new ATOM 0 HD22 LEU A 15 81.233 -13.487 -8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 15 80.469 -12.851 -9.945 1.00 0.00 H new ATOM 54 N THR A 16 84.990 -10.671 -11.003 1.00 0.00 N ATOM 55 CA THR A 16 86.416 -10.904 -11.197 1.00 0.00 C ATOM 56 C THR A 16 87.162 -9.587 -11.366 1.00 0.00 C ATOM 57 O THR A 16 88.302 -9.450 -10.923 1.00 0.00 O ATOM 58 CB THR A 16 86.647 -11.796 -12.417 1.00 0.00 C ATOM 59 OG1 THR A 16 85.802 -12.932 -12.375 1.00 0.00 O ATOM 60 CG2 THR A 16 88.073 -12.291 -12.535 1.00 0.00 C ATOM 0 H THR A 16 84.400 -10.996 -11.769 1.00 0.00 H new ATOM 0 HA THR A 16 86.801 -11.408 -10.311 1.00 0.00 H new ATOM 0 HB THR A 16 86.424 -11.168 -13.280 1.00 0.00 H new ATOM 0 HG1 THR A 16 84.975 -12.743 -12.865 1.00 0.00 H new ATOM 0 HG21 THR A 16 88.168 -12.918 -13.421 1.00 0.00 H new ATOM 0 HG22 THR A 16 88.748 -11.439 -12.619 1.00 0.00 H new ATOM 0 HG23 THR A 16 88.331 -12.873 -11.650 1.00 0.00 H new ATOM 68 N GLN A 17 86.515 -8.618 -12.003 1.00 0.00 N ATOM 69 CA GLN A 17 87.128 -7.316 -12.216 1.00 0.00 C ATOM 70 C GLN A 17 87.435 -6.653 -10.876 1.00 0.00 C ATOM 71 O GLN A 17 88.558 -6.214 -10.634 1.00 0.00 O ATOM 72 CB GLN A 17 86.215 -6.426 -13.077 1.00 0.00 C ATOM 73 CG GLN A 17 85.454 -5.361 -12.298 1.00 0.00 C ATOM 74 CD GLN A 17 84.884 -4.279 -13.193 1.00 0.00 C ATOM 75 OE1 GLN A 17 84.007 -4.537 -14.016 1.00 0.00 O ATOM 76 NE2 GLN A 17 85.382 -3.058 -13.037 1.00 0.00 N ATOM 0 H GLN A 17 85.571 -8.710 -12.379 1.00 0.00 H new ATOM 0 HA GLN A 17 88.067 -7.452 -12.752 1.00 0.00 H new ATOM 0 HB2 GLN A 17 86.820 -5.937 -13.840 1.00 0.00 H new ATOM 0 HB3 GLN A 17 85.497 -7.060 -13.598 1.00 0.00 H new ATOM 0 HG2 GLN A 17 84.643 -5.832 -11.743 1.00 0.00 H new ATOM 0 HG3 GLN A 17 86.121 -4.907 -11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 17 86.109 -2.889 -12.342 1.00 0.00 H new ATOM 0 HE22 GLN A 17 85.038 -2.289 -13.612 1.00 0.00 H new ATOM 85 N VAL A 18 86.429 -6.593 -10.005 1.00 0.00 N ATOM 86 CA VAL A 18 86.605 -5.992 -8.690 1.00 0.00 C ATOM 87 C VAL A 18 87.662 -6.754 -7.914 1.00 0.00 C ATOM 88 O VAL A 18 88.445 -6.168 -7.170 1.00 0.00 O ATOM 89 CB VAL A 18 85.303 -5.972 -7.863 1.00 0.00 C ATOM 90 CG1 VAL A 18 85.345 -4.851 -6.836 1.00 0.00 C ATOM 91 CG2 VAL A 18 84.080 -5.832 -8.760 1.00 0.00 C ATOM 0 H VAL A 18 85.491 -6.951 -10.187 1.00 0.00 H new ATOM 0 HA VAL A 18 86.912 -4.959 -8.856 1.00 0.00 H new ATOM 0 HB VAL A 18 85.223 -6.924 -7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 18 84.419 -4.850 -6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 18 86.190 -5.004 -6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 18 85.456 -3.894 -7.346 1.00 0.00 H new ATOM 0 HG21 VAL A 18 83.179 -5.821 -8.147 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.147 -4.901 -9.324 1.00 0.00 H new ATOM 0 HG23 VAL A 18 84.038 -6.673 -9.452 1.00 0.00 H new ATOM 101 N LYS A 19 87.691 -8.068 -8.110 1.00 0.00 N ATOM 102 CA LYS A 19 88.671 -8.908 -7.441 1.00 0.00 C ATOM 103 C LYS A 19 90.078 -8.434 -7.782 1.00 0.00 C ATOM 104 O LYS A 19 91.015 -8.629 -7.008 1.00 0.00 O ATOM 105 CB LYS A 19 88.493 -10.372 -7.848 1.00 0.00 C ATOM 106 CG LYS A 19 87.583 -11.156 -6.918 1.00 0.00 C ATOM 107 CD LYS A 19 87.749 -12.656 -7.108 1.00 0.00 C ATOM 108 CE LYS A 19 88.885 -13.203 -6.259 1.00 0.00 C ATOM 109 NZ LYS A 19 90.136 -13.374 -7.048 1.00 0.00 N ATOM 0 H LYS A 19 87.050 -8.570 -8.724 1.00 0.00 H new ATOM 0 HA LYS A 19 88.520 -8.831 -6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 19 88.087 -10.413 -8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 19 89.470 -10.854 -7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 19 87.804 -10.893 -5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 19 86.545 -10.878 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 19 86.820 -13.162 -6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 19 87.942 -12.871 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 19 89.072 -12.528 -5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 19 88.591 -14.162 -5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 90.737 -14.092 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 89.899 -13.680 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 90.648 -12.469 -7.088 1.00 0.00 H new ATOM 123 N GLU A 20 90.212 -7.788 -8.938 1.00 0.00 N ATOM 124 CA GLU A 20 91.501 -7.261 -9.366 1.00 0.00 C ATOM 125 C GLU A 20 91.747 -5.885 -8.749 1.00 0.00 C ATOM 126 O GLU A 20 92.779 -5.261 -8.989 1.00 0.00 O ATOM 127 CB GLU A 20 91.563 -7.165 -10.890 1.00 0.00 C ATOM 128 CG GLU A 20 92.005 -8.455 -11.564 1.00 0.00 C ATOM 129 CD GLU A 20 91.005 -9.579 -11.381 1.00 0.00 C ATOM 130 OE1 GLU A 20 90.765 -9.977 -10.221 1.00 0.00 O ATOM 131 OE2 GLU A 20 90.462 -10.063 -12.397 1.00 0.00 O ATOM 0 H GLU A 20 89.447 -7.619 -9.591 1.00 0.00 H new ATOM 0 HA GLU A 20 92.278 -7.945 -9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 20 90.580 -6.886 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 20 92.250 -6.366 -11.168 1.00 0.00 H new ATOM 0 HG2 GLU A 20 92.151 -8.273 -12.629 1.00 0.00 H new ATOM 0 HG3 GLU A 20 92.969 -8.761 -11.158 1.00 0.00 H new ATOM 138 N SER A 21 90.784 -5.419 -7.954 1.00 0.00 N ATOM 139 CA SER A 21 90.878 -4.126 -7.299 1.00 0.00 C ATOM 140 C SER A 21 90.778 -4.286 -5.789 1.00 0.00 C ATOM 141 O SER A 21 91.649 -3.831 -5.047 1.00 0.00 O ATOM 142 CB SER A 21 89.762 -3.217 -7.792 1.00 0.00 C ATOM 143 OG SER A 21 90.280 -2.033 -8.374 1.00 0.00 O ATOM 0 H SER A 21 89.924 -5.928 -7.750 1.00 0.00 H new ATOM 0 HA SER A 21 91.843 -3.681 -7.542 1.00 0.00 H new ATOM 0 HB2 SER A 21 89.154 -3.749 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 21 89.106 -2.959 -6.960 1.00 0.00 H new ATOM 0 HG SER A 21 89.540 -1.470 -8.683 1.00 0.00 H new ATOM 149 N LEU A 22 89.712 -4.949 -5.335 1.00 0.00 N ATOM 150 CA LEU A 22 89.516 -5.179 -3.909 1.00 0.00 C ATOM 151 C LEU A 22 90.729 -5.889 -3.322 1.00 0.00 C ATOM 152 O LEU A 22 90.980 -5.830 -2.117 1.00 0.00 O ATOM 153 CB LEU A 22 88.252 -6.005 -3.666 1.00 0.00 C ATOM 154 CG LEU A 22 88.315 -7.447 -4.173 1.00 0.00 C ATOM 155 CD1 LEU A 22 88.816 -8.376 -3.077 1.00 0.00 C ATOM 156 CD2 LEU A 22 86.950 -7.897 -4.671 1.00 0.00 C ATOM 0 H LEU A 22 88.979 -5.332 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 22 89.397 -4.214 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 22 88.046 -6.021 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 22 87.411 -5.504 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 22 89.016 -7.489 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 22 88.854 -9.398 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 22 89.814 -8.067 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 22 88.139 -8.330 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 22 87.014 -8.925 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 22 86.228 -7.840 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 22 86.628 -7.249 -5.486 1.00 0.00 H new ATOM 168 N SER A 23 91.484 -6.551 -4.192 1.00 0.00 N ATOM 169 CA SER A 23 92.683 -7.267 -3.781 1.00 0.00 C ATOM 170 C SER A 23 93.932 -6.495 -4.194 1.00 0.00 C ATOM 171 O SER A 23 94.999 -6.666 -3.603 1.00 0.00 O ATOM 172 CB SER A 23 92.705 -8.667 -4.395 1.00 0.00 C ATOM 173 OG SER A 23 91.423 -9.270 -4.339 1.00 0.00 O ATOM 0 H SER A 23 91.284 -6.606 -5.191 1.00 0.00 H new ATOM 0 HA SER A 23 92.672 -7.361 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 23 93.037 -8.608 -5.431 1.00 0.00 H new ATOM 0 HB3 SER A 23 93.426 -9.289 -3.864 1.00 0.00 H new ATOM 0 HG SER A 23 90.988 -9.196 -5.214 1.00 0.00 H new ATOM 179 N SER A 24 93.796 -5.639 -5.207 1.00 0.00 N ATOM 180 CA SER A 24 94.923 -4.845 -5.679 1.00 0.00 C ATOM 181 C SER A 24 94.995 -3.504 -4.954 1.00 0.00 C ATOM 182 O SER A 24 95.914 -2.716 -5.179 1.00 0.00 O ATOM 183 CB SER A 24 94.827 -4.621 -7.189 1.00 0.00 C ATOM 184 OG SER A 24 94.919 -5.847 -7.893 1.00 0.00 O ATOM 0 H SER A 24 92.923 -5.481 -5.711 1.00 0.00 H new ATOM 0 HA SER A 24 95.835 -5.400 -5.461 1.00 0.00 H new ATOM 0 HB2 SER A 24 93.883 -4.131 -7.428 1.00 0.00 H new ATOM 0 HB3 SER A 24 95.624 -3.952 -7.512 1.00 0.00 H new ATOM 0 HG SER A 24 94.159 -5.930 -8.506 1.00 0.00 H new ATOM 190 N TYR A 25 94.031 -3.255 -4.076 1.00 0.00 N ATOM 191 CA TYR A 25 93.996 -2.019 -3.308 1.00 0.00 C ATOM 192 C TYR A 25 94.204 -2.308 -1.825 1.00 0.00 C ATOM 193 O TYR A 25 94.421 -1.394 -1.029 1.00 0.00 O ATOM 194 CB TYR A 25 92.668 -1.290 -3.524 1.00 0.00 C ATOM 195 CG TYR A 25 92.820 0.203 -3.712 1.00 0.00 C ATOM 196 CD1 TYR A 25 93.304 1.006 -2.687 1.00 0.00 C ATOM 197 CD2 TYR A 25 92.480 0.809 -4.915 1.00 0.00 C ATOM 198 CE1 TYR A 25 93.445 2.371 -2.854 1.00 0.00 C ATOM 199 CE2 TYR A 25 92.617 2.173 -5.090 1.00 0.00 C ATOM 200 CZ TYR A 25 93.099 2.948 -4.058 1.00 0.00 C ATOM 201 OH TYR A 25 93.239 4.307 -4.229 1.00 0.00 O ATOM 0 H TYR A 25 93.262 -3.895 -3.879 1.00 0.00 H new ATOM 0 HA TYR A 25 94.805 -1.376 -3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 25 92.171 -1.709 -4.399 1.00 0.00 H new ATOM 0 HB3 TYR A 25 92.018 -1.476 -2.669 1.00 0.00 H new ATOM 0 HD1 TYR A 25 93.575 0.556 -1.743 1.00 0.00 H new ATOM 0 HD2 TYR A 25 92.103 0.204 -5.726 1.00 0.00 H new ATOM 0 HE1 TYR A 25 93.823 2.981 -2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 25 92.348 2.629 -6.031 1.00 0.00 H new ATOM 0 HH TYR A 25 92.953 4.554 -5.133 1.00 0.00 H new ATOM 211 N TRP A 26 94.158 -3.587 -1.464 1.00 0.00 N ATOM 212 CA TRP A 26 94.364 -3.995 -0.083 1.00 0.00 C ATOM 213 C TRP A 26 95.832 -4.322 0.131 1.00 0.00 C ATOM 214 O TRP A 26 96.390 -4.074 1.200 1.00 0.00 O ATOM 215 CB TRP A 26 93.494 -5.206 0.258 1.00 0.00 C ATOM 216 CG TRP A 26 93.649 -5.669 1.675 1.00 0.00 C ATOM 217 CD1 TRP A 26 94.635 -6.474 2.170 1.00 0.00 C ATOM 218 CD2 TRP A 26 92.791 -5.358 2.778 1.00 0.00 C ATOM 219 NE1 TRP A 26 94.444 -6.681 3.514 1.00 0.00 N ATOM 220 CE2 TRP A 26 93.318 -6.007 3.912 1.00 0.00 C ATOM 221 CE3 TRP A 26 91.630 -4.594 2.920 1.00 0.00 C ATOM 222 CZ2 TRP A 26 92.723 -5.913 5.167 1.00 0.00 C ATOM 223 CZ3 TRP A 26 91.040 -4.502 4.166 1.00 0.00 C ATOM 224 CH2 TRP A 26 91.588 -5.158 5.275 1.00 0.00 C ATOM 0 H TRP A 26 93.980 -4.356 -2.110 1.00 0.00 H new ATOM 0 HA TRP A 26 94.076 -3.177 0.577 1.00 0.00 H new ATOM 0 HB2 TRP A 26 92.449 -4.956 0.077 1.00 0.00 H new ATOM 0 HB3 TRP A 26 93.746 -6.026 -0.414 1.00 0.00 H new ATOM 0 HD1 TRP A 26 95.446 -6.887 1.589 1.00 0.00 H new ATOM 0 HE1 TRP A 26 95.042 -7.244 4.118 1.00 0.00 H new ATOM 0 HE3 TRP A 26 91.201 -4.084 2.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 93.143 -6.418 6.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 90.142 -3.915 4.286 1.00 0.00 H new ATOM 0 HH2 TRP A 26 91.104 -5.066 6.236 1.00 0.00 H new ATOM 235 N GLU A 27 96.456 -4.863 -0.909 1.00 0.00 N ATOM 236 CA GLU A 27 97.869 -5.205 -0.855 1.00 0.00 C ATOM 237 C GLU A 27 98.717 -3.991 -1.206 1.00 0.00 C ATOM 238 O GLU A 27 99.883 -3.903 -0.821 1.00 0.00 O ATOM 239 CB GLU A 27 98.179 -6.366 -1.803 1.00 0.00 C ATOM 240 CG GLU A 27 98.450 -7.680 -1.087 1.00 0.00 C ATOM 241 CD GLU A 27 97.188 -8.479 -0.837 1.00 0.00 C ATOM 242 OE1 GLU A 27 96.129 -7.859 -0.603 1.00 0.00 O ATOM 243 OE2 GLU A 27 97.257 -9.726 -0.875 1.00 0.00 O ATOM 0 H GLU A 27 96.004 -5.074 -1.799 1.00 0.00 H new ATOM 0 HA GLU A 27 98.111 -5.519 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 27 97.340 -6.500 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 27 99.046 -6.107 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 27 99.142 -8.277 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 27 98.941 -7.476 -0.135 1.00 0.00 H new ATOM 250 N SER A 28 98.117 -3.047 -1.923 1.00 0.00 N ATOM 251 CA SER A 28 98.807 -1.829 -2.309 1.00 0.00 C ATOM 252 C SER A 28 98.775 -0.838 -1.162 1.00 0.00 C ATOM 253 O SER A 28 99.769 -0.177 -0.864 1.00 0.00 O ATOM 254 CB SER A 28 98.147 -1.222 -3.543 1.00 0.00 C ATOM 255 OG SER A 28 99.063 -0.434 -4.283 1.00 0.00 O ATOM 0 H SER A 28 97.152 -3.106 -2.248 1.00 0.00 H new ATOM 0 HA SER A 28 99.844 -2.066 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 28 97.754 -2.018 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 28 97.299 -0.608 -3.239 1.00 0.00 H new ATOM 0 HG SER A 28 98.612 -0.060 -5.069 1.00 0.00 H new ATOM 261 N ALA A 29 97.624 -0.758 -0.511 1.00 0.00 N ATOM 262 CA ALA A 29 97.452 0.135 0.626 1.00 0.00 C ATOM 263 C ALA A 29 98.582 -0.064 1.628 1.00 0.00 C ATOM 264 O ALA A 29 98.969 0.862 2.341 1.00 0.00 O ATOM 265 CB ALA A 29 96.103 -0.101 1.289 1.00 0.00 C ATOM 0 H ALA A 29 96.794 -1.301 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 29 97.483 1.164 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 29 95.991 0.575 2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 29 95.306 0.085 0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 29 96.044 -1.132 1.637 1.00 0.00 H new ATOM 271 N LYS A 30 99.116 -1.284 1.667 1.00 0.00 N ATOM 272 CA LYS A 30 100.212 -1.610 2.569 1.00 0.00 C ATOM 273 C LYS A 30 101.557 -1.286 1.926 1.00 0.00 C ATOM 274 O LYS A 30 102.503 -0.897 2.610 1.00 0.00 O ATOM 275 CB LYS A 30 100.161 -3.089 2.958 1.00 0.00 C ATOM 276 CG LYS A 30 98.826 -3.518 3.544 1.00 0.00 C ATOM 277 CD LYS A 30 98.855 -3.507 5.064 1.00 0.00 C ATOM 278 CE LYS A 30 99.075 -4.901 5.628 1.00 0.00 C ATOM 279 NZ LYS A 30 100.499 -5.134 5.996 1.00 0.00 N ATOM 0 H LYS A 30 98.805 -2.061 1.083 1.00 0.00 H new ATOM 0 HA LYS A 30 100.103 -1.004 3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 30 100.373 -3.695 2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 30 100.949 -3.293 3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 30 98.041 -2.851 3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 30 98.577 -4.519 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.649 -2.845 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 30 97.916 -3.104 5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.446 -5.040 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 30 98.764 -5.643 4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 100.606 -6.096 6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 101.098 -5.027 5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.789 -4.442 6.717 1.00 0.00 H new ATOM 293 N THR A 31 101.636 -1.440 0.605 1.00 0.00 N ATOM 294 CA THR A 31 102.869 -1.150 -0.118 1.00 0.00 C ATOM 295 C THR A 31 103.103 0.354 -0.201 1.00 0.00 C ATOM 296 O THR A 31 104.242 0.810 -0.313 1.00 0.00 O ATOM 297 CB THR A 31 102.823 -1.750 -1.525 1.00 0.00 C ATOM 298 OG1 THR A 31 101.920 -1.034 -2.349 1.00 0.00 O ATOM 299 CG2 THR A 31 102.409 -3.205 -1.542 1.00 0.00 C ATOM 0 H THR A 31 100.866 -1.762 0.019 1.00 0.00 H new ATOM 0 HA THR A 31 103.696 -1.603 0.429 1.00 0.00 H new ATOM 0 HB THR A 31 103.843 -1.676 -1.903 1.00 0.00 H new ATOM 0 HG1 THR A 31 101.233 -0.612 -1.792 1.00 0.00 H new ATOM 0 HG21 THR A 31 102.397 -3.568 -2.570 1.00 0.00 H new ATOM 0 HG22 THR A 31 103.118 -3.792 -0.958 1.00 0.00 H new ATOM 0 HG23 THR A 31 101.413 -3.305 -1.110 1.00 0.00 H new ATOM 307 N ALA A 32 102.018 1.121 -0.143 1.00 0.00 N ATOM 308 CA ALA A 32 102.104 2.574 -0.209 1.00 0.00 C ATOM 309 C ALA A 32 101.681 3.215 1.108 1.00 0.00 C ATOM 310 O ALA A 32 101.297 4.383 1.142 1.00 0.00 O ATOM 311 CB ALA A 32 101.250 3.100 -1.353 1.00 0.00 C ATOM 0 H ALA A 32 101.069 0.759 -0.050 1.00 0.00 H new ATOM 0 HA ALA A 32 103.145 2.842 -0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 32 101.323 4.187 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 32 101.603 2.679 -2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 32 100.211 2.811 -1.194 1.00 0.00 H new ATOM 317 N ALA A 33 101.757 2.450 2.193 1.00 0.00 N ATOM 318 CA ALA A 33 101.388 2.958 3.507 1.00 0.00 C ATOM 319 C ALA A 33 102.627 3.381 4.286 1.00 0.00 C ATOM 320 O ALA A 33 102.734 4.525 4.725 1.00 0.00 O ATOM 321 CB ALA A 33 100.603 1.909 4.281 1.00 0.00 C ATOM 0 H ALA A 33 102.070 1.479 2.187 1.00 0.00 H new ATOM 0 HA ALA A 33 100.754 3.834 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 33 100.335 2.305 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 33 99.696 1.655 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 33 101.215 1.015 4.405 1.00 0.00 H new ATOM 327 N GLN A 34 103.566 2.455 4.443 1.00 0.00 N ATOM 328 CA GLN A 34 104.803 2.740 5.158 1.00 0.00 C ATOM 329 C GLN A 34 105.577 3.863 4.474 1.00 0.00 C ATOM 330 O GLN A 34 106.426 4.508 5.088 1.00 0.00 O ATOM 331 CB GLN A 34 105.671 1.482 5.243 1.00 0.00 C ATOM 332 CG GLN A 34 105.396 0.635 6.475 1.00 0.00 C ATOM 333 CD GLN A 34 106.508 -0.354 6.763 1.00 0.00 C ATOM 334 OE1 GLN A 34 106.829 -1.203 5.931 1.00 0.00 O ATOM 335 NE2 GLN A 34 107.102 -0.250 7.946 1.00 0.00 N ATOM 0 H GLN A 34 103.494 1.502 4.085 1.00 0.00 H new ATOM 0 HA GLN A 34 104.546 3.061 6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 34 105.506 0.876 4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.721 1.774 5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 34 105.263 1.288 7.338 1.00 0.00 H new ATOM 0 HG3 GLN A 34 104.460 0.094 6.338 1.00 0.00 H new ATOM 0 HE21 GLN A 34 106.804 0.469 8.605 1.00 0.00 H new ATOM 0 HE22 GLN A 34 107.857 -0.889 8.196 1.00 0.00 H new ATOM 344 N ASN A 35 105.272 4.095 3.201 1.00 0.00 N ATOM 345 CA ASN A 35 105.929 5.141 2.432 1.00 0.00 C ATOM 346 C ASN A 35 105.458 6.515 2.885 1.00 0.00 C ATOM 347 O ASN A 35 106.250 7.339 3.342 1.00 0.00 O ATOM 348 CB ASN A 35 105.633 4.957 0.946 1.00 0.00 C ATOM 349 CG ASN A 35 106.739 5.498 0.061 1.00 0.00 C ATOM 350 OD1 ASN A 35 107.876 5.668 0.503 1.00 0.00 O ATOM 351 ND2 ASN A 35 106.411 5.771 -1.196 1.00 0.00 N ATOM 0 H ASN A 35 104.570 3.569 2.680 1.00 0.00 H new ATOM 0 HA ASN A 35 107.004 5.069 2.598 1.00 0.00 H new ATOM 0 HB2 ASN A 35 105.490 3.897 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 35 104.697 5.459 0.701 1.00 0.00 H new ATOM 0 HD21 ASN A 35 107.114 6.137 -1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 35 105.456 5.615 -1.519 1.00 0.00 H new ATOM 358 N LEU A 36 104.157 6.754 2.755 1.00 0.00 N ATOM 359 CA LEU A 36 103.572 8.030 3.152 1.00 0.00 C ATOM 360 C LEU A 36 103.713 8.243 4.655 1.00 0.00 C ATOM 361 O LEU A 36 104.073 9.330 5.107 1.00 0.00 O ATOM 362 CB LEU A 36 102.094 8.094 2.759 1.00 0.00 C ATOM 363 CG LEU A 36 101.754 7.462 1.410 1.00 0.00 C ATOM 364 CD1 LEU A 36 100.269 7.607 1.112 1.00 0.00 C ATOM 365 CD2 LEU A 36 102.586 8.089 0.300 1.00 0.00 C ATOM 0 H LEU A 36 103.488 6.082 2.378 1.00 0.00 H new ATOM 0 HA LEU A 36 104.111 8.821 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 36 101.507 7.600 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 36 101.784 9.139 2.742 1.00 0.00 H new ATOM 0 HG LEU A 36 101.993 6.400 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 36 100.045 7.151 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 36 99.691 7.110 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.005 8.664 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.330 7.626 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 36 102.380 9.158 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 36 103.645 7.932 0.506 1.00 0.00 H new ATOM 377 N TYR A 37 103.430 7.195 5.423 1.00 0.00 N ATOM 378 CA TYR A 37 103.528 7.268 6.878 1.00 0.00 C ATOM 379 C TYR A 37 104.927 7.689 7.318 1.00 0.00 C ATOM 380 O TYR A 37 105.117 8.185 8.428 1.00 0.00 O ATOM 381 CB TYR A 37 103.164 5.921 7.506 1.00 0.00 C ATOM 382 CG TYR A 37 101.736 5.846 7.996 1.00 0.00 C ATOM 383 CD1 TYR A 37 100.691 6.357 7.235 1.00 0.00 C ATOM 384 CD2 TYR A 37 101.431 5.264 9.221 1.00 0.00 C ATOM 385 CE1 TYR A 37 99.385 6.290 7.681 1.00 0.00 C ATOM 386 CE2 TYR A 37 100.128 5.193 9.673 1.00 0.00 C ATOM 387 CZ TYR A 37 99.109 5.708 8.900 1.00 0.00 C ATOM 388 OH TYR A 37 97.809 5.639 9.347 1.00 0.00 O ATOM 0 H TYR A 37 103.132 6.288 5.064 1.00 0.00 H new ATOM 0 HA TYR A 37 102.822 8.024 7.222 1.00 0.00 H new ATOM 0 HB2 TYR A 37 103.329 5.132 6.773 1.00 0.00 H new ATOM 0 HB3 TYR A 37 103.836 5.726 8.341 1.00 0.00 H new ATOM 0 HD1 TYR A 37 100.903 6.814 6.280 1.00 0.00 H new ATOM 0 HD2 TYR A 37 102.227 4.860 9.830 1.00 0.00 H new ATOM 0 HE1 TYR A 37 98.584 6.692 7.078 1.00 0.00 H new ATOM 0 HE2 TYR A 37 99.908 4.737 10.627 1.00 0.00 H new ATOM 0 HH TYR A 37 97.787 5.199 10.222 1.00 0.00 H new ATOM 398 N GLU A 38 105.901 7.488 6.441 1.00 0.00 N ATOM 399 CA GLU A 38 107.283 7.847 6.736 1.00 0.00 C ATOM 400 C GLU A 38 107.473 9.360 6.684 1.00 0.00 C ATOM 401 O GLU A 38 108.026 9.959 7.606 1.00 0.00 O ATOM 402 CB GLU A 38 108.232 7.168 5.746 1.00 0.00 C ATOM 403 CG GLU A 38 109.540 6.715 6.372 1.00 0.00 C ATOM 404 CD GLU A 38 109.331 5.798 7.561 1.00 0.00 C ATOM 405 OE1 GLU A 38 109.190 4.575 7.351 1.00 0.00 O ATOM 406 OE2 GLU A 38 109.306 6.304 8.703 1.00 0.00 O ATOM 0 H GLU A 38 105.760 7.078 5.518 1.00 0.00 H new ATOM 0 HA GLU A 38 107.515 7.503 7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 38 107.730 6.305 5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 38 108.449 7.859 4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 38 110.138 6.199 5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 38 110.109 7.589 6.688 1.00 0.00 H new ATOM 413 N LYS A 39 107.011 9.971 5.599 1.00 0.00 N ATOM 414 CA LYS A 39 107.128 11.414 5.426 1.00 0.00 C ATOM 415 C LYS A 39 105.824 12.114 5.796 1.00 0.00 C ATOM 416 O LYS A 39 105.487 13.158 5.237 1.00 0.00 O ATOM 417 CB LYS A 39 107.507 11.746 3.981 1.00 0.00 C ATOM 418 CG LYS A 39 108.701 10.958 3.468 1.00 0.00 C ATOM 419 CD LYS A 39 109.569 11.798 2.545 1.00 0.00 C ATOM 420 CE LYS A 39 108.962 11.903 1.155 1.00 0.00 C ATOM 421 NZ LYS A 39 109.583 10.939 0.203 1.00 0.00 N ATOM 0 H LYS A 39 106.552 9.489 4.826 1.00 0.00 H new ATOM 0 HA LYS A 39 107.913 11.772 6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.650 11.552 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 39 107.727 12.811 3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 39 109.297 10.609 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 39 108.352 10.073 2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 39 109.691 12.796 2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 39 110.563 11.357 2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 39 107.890 11.717 1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 39 109.090 12.918 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 109.142 11.042 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 110.602 11.132 0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 109.439 9.969 0.548 1.00 0.00 H new ATOM 435 N THR A 40 105.093 11.532 6.741 1.00 0.00 N ATOM 436 CA THR A 40 103.826 12.100 7.188 1.00 0.00 C ATOM 437 C THR A 40 103.565 11.769 8.652 1.00 0.00 C ATOM 438 O THR A 40 103.166 12.632 9.434 1.00 0.00 O ATOM 439 CB THR A 40 102.676 11.581 6.322 1.00 0.00 C ATOM 440 OG1 THR A 40 103.018 11.638 4.949 1.00 0.00 O ATOM 441 CG2 THR A 40 101.391 12.357 6.508 1.00 0.00 C ATOM 0 H THR A 40 105.356 10.667 7.212 1.00 0.00 H new ATOM 0 HA THR A 40 103.888 13.183 7.086 1.00 0.00 H new ATOM 0 HB THR A 40 102.511 10.553 6.645 1.00 0.00 H new ATOM 0 HG1 THR A 40 103.196 10.733 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 40 100.617 11.938 5.866 1.00 0.00 H new ATOM 0 HG22 THR A 40 101.074 12.291 7.549 1.00 0.00 H new ATOM 0 HG23 THR A 40 101.555 13.402 6.244 1.00 0.00 H new ATOM 449 N TYR A 41 103.796 10.515 9.013 1.00 0.00 N ATOM 450 CA TYR A 41 103.590 10.061 10.383 1.00 0.00 C ATOM 451 C TYR A 41 104.908 10.028 11.149 1.00 0.00 C ATOM 452 O TYR A 41 105.108 9.190 12.028 1.00 0.00 O ATOM 453 CB TYR A 41 102.953 8.672 10.391 1.00 0.00 C ATOM 454 CG TYR A 41 101.966 8.462 11.518 1.00 0.00 C ATOM 455 CD1 TYR A 41 102.401 8.122 12.793 1.00 0.00 C ATOM 456 CD2 TYR A 41 100.601 8.604 11.306 1.00 0.00 C ATOM 457 CE1 TYR A 41 101.502 7.930 13.825 1.00 0.00 C ATOM 458 CE2 TYR A 41 99.696 8.415 12.334 1.00 0.00 C ATOM 459 CZ TYR A 41 100.151 8.077 13.590 1.00 0.00 C ATOM 460 OH TYR A 41 99.254 7.887 14.616 1.00 0.00 O ATOM 0 H TYR A 41 104.127 9.791 8.375 1.00 0.00 H new ATOM 0 HA TYR A 41 102.920 10.766 10.875 1.00 0.00 H new ATOM 0 HB2 TYR A 41 102.445 8.509 9.440 1.00 0.00 H new ATOM 0 HB3 TYR A 41 103.740 7.921 10.465 1.00 0.00 H new ATOM 0 HD1 TYR A 41 103.458 8.006 12.981 1.00 0.00 H new ATOM 0 HD2 TYR A 41 100.241 8.866 10.322 1.00 0.00 H new ATOM 0 HE1 TYR A 41 101.856 7.666 14.811 1.00 0.00 H new ATOM 0 HE2 TYR A 41 98.638 8.532 12.153 1.00 0.00 H new ATOM 0 HH TYR A 41 98.343 8.029 14.285 1.00 0.00 H new ATOM 470 N LEU A 42 105.803 10.945 10.806 1.00 0.00 N ATOM 471 CA LEU A 42 107.106 11.027 11.456 1.00 0.00 C ATOM 472 C LEU A 42 107.207 12.283 12.319 1.00 0.00 C ATOM 473 O LEU A 42 107.597 13.346 11.836 1.00 0.00 O ATOM 474 CB LEU A 42 108.222 11.022 10.411 1.00 0.00 C ATOM 475 CG LEU A 42 109.639 11.134 10.975 1.00 0.00 C ATOM 476 CD1 LEU A 42 110.197 9.755 11.294 1.00 0.00 C ATOM 477 CD2 LEU A 42 110.546 11.865 9.996 1.00 0.00 C ATOM 0 H LEU A 42 105.651 11.645 10.080 1.00 0.00 H new ATOM 0 HA LEU A 42 107.217 10.155 12.101 1.00 0.00 H new ATOM 0 HB2 LEU A 42 108.150 10.103 9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 42 108.056 11.849 9.721 1.00 0.00 H new ATOM 0 HG LEU A 42 109.597 11.709 11.900 1.00 0.00 H new ATOM 0 HD11 LEU A 42 111.206 9.854 11.694 1.00 0.00 H new ATOM 0 HD12 LEU A 42 109.560 9.267 12.032 1.00 0.00 H new ATOM 0 HD13 LEU A 42 110.225 9.155 10.385 1.00 0.00 H new ATOM 0 HD21 LEU A 42 111.550 11.936 10.414 1.00 0.00 H new ATOM 0 HD22 LEU A 42 110.582 11.317 9.055 1.00 0.00 H new ATOM 0 HD23 LEU A 42 110.156 12.867 9.817 1.00 0.00 H new ATOM 489 N PRO A 43 106.853 12.179 13.613 1.00 0.00 N ATOM 490 CA PRO A 43 106.901 13.307 14.541 1.00 0.00 C ATOM 491 C PRO A 43 108.276 13.487 15.182 1.00 0.00 C ATOM 492 O PRO A 43 108.380 13.894 16.339 1.00 0.00 O ATOM 493 CB PRO A 43 105.873 12.906 15.593 1.00 0.00 C ATOM 494 CG PRO A 43 105.963 11.418 15.653 1.00 0.00 C ATOM 495 CD PRO A 43 106.367 10.951 14.274 1.00 0.00 C ATOM 0 HA PRO A 43 106.701 14.259 14.048 1.00 0.00 H new ATOM 0 HB2 PRO A 43 106.097 13.357 16.560 1.00 0.00 H new ATOM 0 HB3 PRO A 43 104.871 13.232 15.314 1.00 0.00 H new ATOM 0 HG2 PRO A 43 106.695 11.104 16.398 1.00 0.00 H new ATOM 0 HG3 PRO A 43 105.006 10.984 15.944 1.00 0.00 H new ATOM 0 HD2 PRO A 43 107.144 10.188 14.322 1.00 0.00 H new ATOM 0 HD3 PRO A 43 105.525 10.514 13.737 1.00 0.00 H new ATOM 503 N ALA A 44 109.328 13.184 14.426 1.00 0.00 N ATOM 504 CA ALA A 44 110.691 13.318 14.926 1.00 0.00 C ATOM 505 C ALA A 44 111.583 14.056 13.932 1.00 0.00 C ATOM 506 O ALA A 44 112.792 14.165 14.137 1.00 0.00 O ATOM 507 CB ALA A 44 111.272 11.949 15.245 1.00 0.00 C ATOM 0 H ALA A 44 109.262 12.845 13.466 1.00 0.00 H new ATOM 0 HA ALA A 44 110.654 13.910 15.840 1.00 0.00 H new ATOM 0 HB1 ALA A 44 112.290 12.064 15.617 1.00 0.00 H new ATOM 0 HB2 ALA A 44 110.660 11.462 16.005 1.00 0.00 H new ATOM 0 HB3 ALA A 44 111.283 11.339 14.342 1.00 0.00 H new ATOM 513 N VAL A 45 110.985 14.569 12.861 1.00 0.00 N ATOM 514 CA VAL A 45 111.739 15.301 11.852 1.00 0.00 C ATOM 515 C VAL A 45 112.362 16.553 12.457 1.00 0.00 C ATOM 516 O VAL A 45 113.423 17.005 12.023 1.00 0.00 O ATOM 517 CB VAL A 45 110.848 15.695 10.658 1.00 0.00 C ATOM 518 CG1 VAL A 45 109.630 16.474 11.133 1.00 0.00 C ATOM 519 CG2 VAL A 45 111.638 16.495 9.631 1.00 0.00 C ATOM 0 H VAL A 45 109.986 14.491 12.671 1.00 0.00 H new ATOM 0 HA VAL A 45 112.528 14.641 11.491 1.00 0.00 H new ATOM 0 HB VAL A 45 110.501 14.781 10.176 1.00 0.00 H new ATOM 0 HG11 VAL A 45 109.013 16.743 10.276 1.00 0.00 H new ATOM 0 HG12 VAL A 45 109.049 15.858 11.819 1.00 0.00 H new ATOM 0 HG13 VAL A 45 109.954 17.380 11.645 1.00 0.00 H new ATOM 0 HG21 VAL A 45 110.987 16.761 8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 45 112.023 17.403 10.095 1.00 0.00 H new ATOM 0 HG23 VAL A 45 112.470 15.894 9.264 1.00 0.00 H new ATOM 529 N ASP A 46 111.698 17.105 13.467 1.00 0.00 N ATOM 530 CA ASP A 46 112.187 18.301 14.142 1.00 0.00 C ATOM 531 C ASP A 46 113.349 17.958 15.072 1.00 0.00 C ATOM 532 O ASP A 46 114.165 18.818 15.402 1.00 0.00 O ATOM 533 CB ASP A 46 111.060 18.961 14.937 1.00 0.00 C ATOM 534 CG ASP A 46 111.375 20.397 15.303 1.00 0.00 C ATOM 535 OD1 ASP A 46 111.964 21.109 14.462 1.00 0.00 O ATOM 536 OD2 ASP A 46 111.032 20.813 16.430 1.00 0.00 O ATOM 0 H ASP A 46 110.819 16.743 13.836 1.00 0.00 H new ATOM 0 HA ASP A 46 112.542 18.999 13.384 1.00 0.00 H new ATOM 0 HB2 ASP A 46 110.141 18.931 14.352 1.00 0.00 H new ATOM 0 HB3 ASP A 46 110.877 18.389 15.847 1.00 0.00 H new ATOM 541 N GLU A 47 113.419 16.696 15.486 1.00 0.00 N ATOM 542 CA GLU A 47 114.483 16.241 16.373 1.00 0.00 C ATOM 543 C GLU A 47 115.268 15.102 15.730 1.00 0.00 C ATOM 544 O GLU A 47 115.815 14.242 16.421 1.00 0.00 O ATOM 545 CB GLU A 47 113.901 15.783 17.712 1.00 0.00 C ATOM 546 CG GLU A 47 113.820 16.891 18.750 1.00 0.00 C ATOM 547 CD GLU A 47 113.612 16.358 20.154 1.00 0.00 C ATOM 548 OE1 GLU A 47 112.565 15.723 20.399 1.00 0.00 O ATOM 549 OE2 GLU A 47 114.496 16.576 21.008 1.00 0.00 O ATOM 0 H GLU A 47 112.752 15.971 15.221 1.00 0.00 H new ATOM 0 HA GLU A 47 115.161 17.076 16.549 1.00 0.00 H new ATOM 0 HB2 GLU A 47 112.903 15.378 17.546 1.00 0.00 H new ATOM 0 HB3 GLU A 47 114.512 14.971 18.106 1.00 0.00 H new ATOM 0 HG2 GLU A 47 114.737 17.480 18.721 1.00 0.00 H new ATOM 0 HG3 GLU A 47 113.001 17.564 18.495 1.00 0.00 H new ATOM 556 N LYS A 48 115.317 15.103 14.402 1.00 0.00 N ATOM 557 CA LYS A 48 116.032 14.073 13.661 1.00 0.00 C ATOM 558 C LYS A 48 116.278 14.514 12.223 1.00 0.00 C ATOM 559 O LYS A 48 117.420 14.563 11.767 1.00 0.00 O ATOM 560 CB LYS A 48 115.240 12.763 13.677 1.00 0.00 C ATOM 561 CG LYS A 48 116.002 11.583 13.096 1.00 0.00 C ATOM 562 CD LYS A 48 115.274 10.273 13.346 1.00 0.00 C ATOM 563 CE LYS A 48 115.456 9.305 12.188 1.00 0.00 C ATOM 564 NZ LYS A 48 114.782 9.786 10.950 1.00 0.00 N ATOM 0 H LYS A 48 114.869 15.808 13.817 1.00 0.00 H new ATOM 0 HA LYS A 48 116.996 13.913 14.144 1.00 0.00 H new ATOM 0 HB2 LYS A 48 114.957 12.532 14.704 1.00 0.00 H new ATOM 0 HB3 LYS A 48 114.316 12.900 13.115 1.00 0.00 H new ATOM 0 HG2 LYS A 48 116.136 11.727 12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 48 116.997 11.538 13.538 1.00 0.00 H new ATOM 0 HD2 LYS A 48 115.646 9.818 14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 48 114.212 10.468 13.495 1.00 0.00 H new ATOM 0 HE2 LYS A 48 116.520 9.169 11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 48 115.055 8.330 12.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 115.378 9.572 10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 113.863 9.309 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 114.634 10.813 11.012 1.00 0.00 H new ATOM 578 N LEU A 49 115.200 14.834 11.514 1.00 0.00 N ATOM 579 CA LEU A 49 115.300 15.272 10.124 1.00 0.00 C ATOM 580 C LEU A 49 116.190 14.329 9.318 1.00 0.00 C ATOM 581 O LEU A 49 116.882 14.750 8.392 1.00 0.00 O ATOM 582 CB LEU A 49 115.855 16.697 10.056 1.00 0.00 C ATOM 583 CG LEU A 49 115.625 17.419 8.727 1.00 0.00 C ATOM 584 CD1 LEU A 49 114.282 18.131 8.732 1.00 0.00 C ATOM 585 CD2 LEU A 49 116.752 18.404 8.455 1.00 0.00 C ATOM 0 H LEU A 49 114.248 14.799 11.878 1.00 0.00 H new ATOM 0 HA LEU A 49 114.300 15.257 9.691 1.00 0.00 H new ATOM 0 HB2 LEU A 49 115.403 17.285 10.855 1.00 0.00 H new ATOM 0 HB3 LEU A 49 116.927 16.663 10.253 1.00 0.00 H new ATOM 0 HG LEU A 49 115.616 16.677 7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 49 114.136 18.639 7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 49 113.485 17.403 8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 49 114.261 18.863 9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 49 116.573 18.909 7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 49 116.792 19.142 9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 49 117.700 17.868 8.408 1.00 0.00 H new ATOM 597 N ARG A 50 116.164 13.050 9.683 1.00 0.00 N ATOM 598 CA ARG A 50 116.968 12.040 9.001 1.00 0.00 C ATOM 599 C ARG A 50 118.456 12.258 9.262 1.00 0.00 C ATOM 600 O ARG A 50 119.298 11.906 8.436 1.00 0.00 O ATOM 601 CB ARG A 50 116.693 12.063 7.496 1.00 0.00 C ATOM 602 CG ARG A 50 115.214 12.050 7.146 1.00 0.00 C ATOM 603 CD ARG A 50 114.906 12.977 5.981 1.00 0.00 C ATOM 604 NE ARG A 50 114.028 12.348 4.998 1.00 0.00 N ATOM 605 CZ ARG A 50 114.441 11.463 4.093 1.00 0.00 C ATOM 606 NH1 ARG A 50 115.717 11.101 4.044 1.00 0.00 N ATOM 607 NH2 ARG A 50 113.576 10.938 3.236 1.00 0.00 N ATOM 0 H ARG A 50 115.594 12.688 10.448 1.00 0.00 H new ATOM 0 HA ARG A 50 116.687 11.064 9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 50 117.152 12.953 7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 50 117.174 11.201 7.034 1.00 0.00 H new ATOM 0 HG2 ARG A 50 114.908 11.035 6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 50 114.631 12.352 8.016 1.00 0.00 H new ATOM 0 HD2 ARG A 50 114.437 13.887 6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 50 115.837 13.274 5.498 1.00 0.00 H new ATOM 0 HE ARG A 50 113.040 12.602 5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 50 116.386 11.501 4.702 1.00 0.00 H new ATOM 0 HH12 ARG A 50 116.028 10.423 3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 50 112.594 11.212 3.270 1.00 0.00 H new ATOM 0 HH22 ARG A 50 113.893 10.260 2.543 1.00 0.00 H new ATOM 621 N ASP A 51 118.773 12.839 10.416 1.00 0.00 N ATOM 622 CA ASP A 51 120.161 13.102 10.781 1.00 0.00 C ATOM 623 C ASP A 51 120.560 12.322 12.031 1.00 0.00 C ATOM 624 O ASP A 51 121.734 12.011 12.230 1.00 0.00 O ATOM 625 CB ASP A 51 120.378 14.599 11.010 1.00 0.00 C ATOM 626 CG ASP A 51 121.845 14.962 11.118 1.00 0.00 C ATOM 627 OD1 ASP A 51 122.451 14.676 12.172 1.00 0.00 O ATOM 628 OD2 ASP A 51 122.389 15.531 10.149 1.00 0.00 O ATOM 0 H ASP A 51 118.089 13.136 11.112 1.00 0.00 H new ATOM 0 HA ASP A 51 120.791 12.772 9.955 1.00 0.00 H new ATOM 0 HB2 ASP A 51 119.928 15.158 10.189 1.00 0.00 H new ATOM 0 HB3 ASP A 51 119.864 14.902 11.922 1.00 0.00 H new ATOM 633 N LEU A 52 119.578 12.001 12.869 1.00 0.00 N ATOM 634 CA LEU A 52 119.835 11.250 14.092 1.00 0.00 C ATOM 635 C LEU A 52 119.741 9.745 13.841 1.00 0.00 C ATOM 636 O LEU A 52 119.649 8.956 14.781 1.00 0.00 O ATOM 637 CB LEU A 52 118.850 11.665 15.188 1.00 0.00 C ATOM 638 CG LEU A 52 119.493 12.123 16.497 1.00 0.00 C ATOM 639 CD1 LEU A 52 119.794 13.614 16.451 1.00 0.00 C ATOM 640 CD2 LEU A 52 118.590 11.796 17.677 1.00 0.00 C ATOM 0 H LEU A 52 118.599 12.249 12.723 1.00 0.00 H new ATOM 0 HA LEU A 52 120.848 11.478 14.422 1.00 0.00 H new ATOM 0 HB2 LEU A 52 118.225 12.472 14.806 1.00 0.00 H new ATOM 0 HB3 LEU A 52 118.190 10.824 15.400 1.00 0.00 H new ATOM 0 HG LEU A 52 120.433 11.587 16.625 1.00 0.00 H new ATOM 0 HD11 LEU A 52 120.251 13.922 17.391 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.479 13.822 15.629 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.867 14.168 16.300 1.00 0.00 H new ATOM 0 HD21 LEU A 52 119.063 12.129 18.601 1.00 0.00 H new ATOM 0 HD22 LEU A 52 117.634 12.305 17.555 1.00 0.00 H new ATOM 0 HD23 LEU A 52 118.425 10.719 17.722 1.00 0.00 H new ATOM 652 N TYR A 53 119.768 9.356 12.570 1.00 0.00 N ATOM 653 CA TYR A 53 119.689 7.952 12.194 1.00 0.00 C ATOM 654 C TYR A 53 121.040 7.459 11.688 1.00 0.00 C ATOM 655 O TYR A 53 121.496 6.375 12.053 1.00 0.00 O ATOM 656 CB TYR A 53 118.619 7.758 11.118 1.00 0.00 C ATOM 657 CG TYR A 53 117.549 6.753 11.488 1.00 0.00 C ATOM 658 CD1 TYR A 53 117.077 6.653 12.792 1.00 0.00 C ATOM 659 CD2 TYR A 53 117.006 5.905 10.529 1.00 0.00 C ATOM 660 CE1 TYR A 53 116.098 5.738 13.129 1.00 0.00 C ATOM 661 CE2 TYR A 53 116.026 4.989 10.859 1.00 0.00 C ATOM 662 CZ TYR A 53 115.577 4.909 12.159 1.00 0.00 C ATOM 663 OH TYR A 53 114.601 3.997 12.491 1.00 0.00 O ATOM 0 H TYR A 53 119.844 9.998 11.781 1.00 0.00 H new ATOM 0 HA TYR A 53 119.416 7.369 13.074 1.00 0.00 H new ATOM 0 HB2 TYR A 53 118.146 8.718 10.913 1.00 0.00 H new ATOM 0 HB3 TYR A 53 119.101 7.437 10.195 1.00 0.00 H new ATOM 0 HD1 TYR A 53 117.482 7.302 13.554 1.00 0.00 H new ATOM 0 HD2 TYR A 53 117.356 5.963 9.509 1.00 0.00 H new ATOM 0 HE1 TYR A 53 115.743 5.673 14.147 1.00 0.00 H new ATOM 0 HE2 TYR A 53 115.614 4.339 10.102 1.00 0.00 H new ATOM 0 HH TYR A 53 114.341 3.491 11.693 1.00 0.00 H new ATOM 673 N SER A 54 121.677 8.270 10.848 1.00 0.00 N ATOM 674 CA SER A 54 122.980 7.926 10.289 1.00 0.00 C ATOM 675 C SER A 54 122.924 6.589 9.559 1.00 0.00 C ATOM 676 O SER A 54 123.744 5.702 9.799 1.00 0.00 O ATOM 677 CB SER A 54 124.036 7.877 11.395 1.00 0.00 C ATOM 678 OG SER A 54 125.279 8.381 10.936 1.00 0.00 O ATOM 0 H SER A 54 121.311 9.171 10.539 1.00 0.00 H new ATOM 0 HA SER A 54 123.255 8.698 9.570 1.00 0.00 H new ATOM 0 HB2 SER A 54 123.697 8.460 12.251 1.00 0.00 H new ATOM 0 HB3 SER A 54 124.161 6.850 11.738 1.00 0.00 H new ATOM 0 HG SER A 54 125.936 8.340 11.662 1.00 0.00 H new ATOM 684 N LYS A 55 121.948 6.452 8.670 1.00 0.00 N ATOM 685 CA LYS A 55 121.782 5.221 7.907 1.00 0.00 C ATOM 686 C LYS A 55 121.539 4.035 8.834 1.00 0.00 C ATOM 687 O LYS A 55 121.704 2.882 8.437 1.00 0.00 O ATOM 688 CB LYS A 55 123.017 4.962 7.042 1.00 0.00 C ATOM 689 CG LYS A 55 123.036 5.764 5.752 1.00 0.00 C ATOM 690 CD LYS A 55 124.457 6.042 5.290 1.00 0.00 C ATOM 691 CE LYS A 55 124.527 7.288 4.421 1.00 0.00 C ATOM 692 NZ LYS A 55 125.838 7.981 4.548 1.00 0.00 N ATOM 0 H LYS A 55 121.261 7.176 8.460 1.00 0.00 H new ATOM 0 HA LYS A 55 120.912 5.338 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 55 123.911 5.198 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 55 123.065 3.900 6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 55 122.500 5.219 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 55 122.510 6.707 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 55 125.105 6.165 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 55 124.833 5.185 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 55 124.361 7.014 3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 55 123.726 7.972 4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 125.845 8.825 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 125.986 8.266 5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 126.601 7.337 4.255 1.00 0.00 H new ATOM 706 N SER A 56 121.141 4.321 10.074 1.00 0.00 N ATOM 707 CA SER A 56 120.873 3.271 11.051 1.00 0.00 C ATOM 708 C SER A 56 119.885 2.257 10.486 1.00 0.00 C ATOM 709 O SER A 56 120.096 1.048 10.574 1.00 0.00 O ATOM 710 CB SER A 56 120.322 3.874 12.345 1.00 0.00 C ATOM 711 OG SER A 56 121.368 4.172 13.254 1.00 0.00 O ATOM 0 H SER A 56 120.998 5.269 10.423 1.00 0.00 H new ATOM 0 HA SER A 56 121.811 2.761 11.272 1.00 0.00 H new ATOM 0 HB2 SER A 56 119.763 4.782 12.118 1.00 0.00 H new ATOM 0 HB3 SER A 56 119.623 3.177 12.806 1.00 0.00 H new ATOM 0 HG SER A 56 121.716 5.070 13.070 1.00 0.00 H new ATOM 717 N THR A 57 118.810 2.767 9.896 1.00 0.00 N ATOM 718 CA THR A 57 117.787 1.917 9.300 1.00 0.00 C ATOM 719 C THR A 57 117.170 2.587 8.079 1.00 0.00 C ATOM 720 O THR A 57 116.064 2.244 7.661 1.00 0.00 O ATOM 721 CB THR A 57 116.703 1.590 10.324 1.00 0.00 C ATOM 722 OG1 THR A 57 117.276 1.251 11.573 1.00 0.00 O ATOM 723 CG2 THR A 57 115.809 0.443 9.903 1.00 0.00 C ATOM 0 H THR A 57 118.624 3.767 9.818 1.00 0.00 H new ATOM 0 HA THR A 57 118.261 0.989 8.981 1.00 0.00 H new ATOM 0 HB THR A 57 116.098 2.493 10.401 1.00 0.00 H new ATOM 0 HG1 THR A 57 116.564 1.047 12.215 1.00 0.00 H new ATOM 0 HG21 THR A 57 115.061 0.263 10.675 1.00 0.00 H new ATOM 0 HG22 THR A 57 115.311 0.695 8.967 1.00 0.00 H new ATOM 0 HG23 THR A 57 116.411 -0.455 9.764 1.00 0.00 H new ATOM 731 N ALA A 58 117.898 3.536 7.502 1.00 0.00 N ATOM 732 CA ALA A 58 117.430 4.241 6.318 1.00 0.00 C ATOM 733 C ALA A 58 117.636 3.377 5.085 1.00 0.00 C ATOM 734 O ALA A 58 116.775 3.304 4.208 1.00 0.00 O ATOM 735 CB ALA A 58 118.153 5.571 6.168 1.00 0.00 C ATOM 0 H ALA A 58 118.815 3.834 7.836 1.00 0.00 H new ATOM 0 HA ALA A 58 116.365 4.445 6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 58 117.790 6.084 5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 58 117.963 6.189 7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 58 119.224 5.394 6.074 1.00 0.00 H new ATOM 741 N ALA A 59 118.783 2.708 5.038 1.00 0.00 N ATOM 742 CA ALA A 59 119.107 1.826 3.926 1.00 0.00 C ATOM 743 C ALA A 59 118.280 0.545 3.995 1.00 0.00 C ATOM 744 O ALA A 59 118.090 -0.136 2.988 1.00 0.00 O ATOM 745 CB ALA A 59 120.593 1.499 3.926 1.00 0.00 C ATOM 0 H ALA A 59 119.503 2.761 5.758 1.00 0.00 H new ATOM 0 HA ALA A 59 118.863 2.341 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 59 120.820 0.839 3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 59 121.168 2.420 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 59 120.857 1.004 4.861 1.00 0.00 H new ATOM 751 N MET A 60 117.787 0.223 5.191 1.00 0.00 N ATOM 752 CA MET A 60 116.978 -0.974 5.385 1.00 0.00 C ATOM 753 C MET A 60 115.543 -0.744 4.916 1.00 0.00 C ATOM 754 O MET A 60 114.837 -1.690 4.565 1.00 0.00 O ATOM 755 CB MET A 60 116.985 -1.387 6.857 1.00 0.00 C ATOM 756 CG MET A 60 118.115 -2.337 7.217 1.00 0.00 C ATOM 757 SD MET A 60 117.626 -3.565 8.443 1.00 0.00 S ATOM 758 CE MET A 60 118.182 -2.777 9.953 1.00 0.00 C ATOM 0 H MET A 60 117.935 0.775 6.036 1.00 0.00 H new ATOM 0 HA MET A 60 117.412 -1.776 4.788 1.00 0.00 H new ATOM 0 HB2 MET A 60 117.062 -0.493 7.476 1.00 0.00 H new ATOM 0 HB3 MET A 60 116.033 -1.860 7.097 1.00 0.00 H new ATOM 0 HG2 MET A 60 118.458 -2.845 6.316 1.00 0.00 H new ATOM 0 HG3 MET A 60 118.959 -1.763 7.600 1.00 0.00 H new ATOM 0 HE1 MET A 60 119.098 -3.257 10.298 1.00 0.00 H new ATOM 0 HE2 MET A 60 118.375 -1.721 9.763 1.00 0.00 H new ATOM 0 HE3 MET A 60 117.412 -2.873 10.718 1.00 0.00 H new ATOM 768 N SER A 61 115.119 0.517 4.910 1.00 0.00 N ATOM 769 CA SER A 61 113.769 0.867 4.482 1.00 0.00 C ATOM 770 C SER A 61 113.791 1.549 3.119 1.00 0.00 C ATOM 771 O SER A 61 112.987 2.440 2.847 1.00 0.00 O ATOM 772 CB SER A 61 113.103 1.781 5.510 1.00 0.00 C ATOM 773 OG SER A 61 113.152 1.212 6.808 1.00 0.00 O ATOM 0 H SER A 61 115.690 1.312 5.196 1.00 0.00 H new ATOM 0 HA SER A 61 113.192 -0.054 4.400 1.00 0.00 H new ATOM 0 HB2 SER A 61 113.601 2.750 5.516 1.00 0.00 H new ATOM 0 HB3 SER A 61 112.066 1.957 5.226 1.00 0.00 H new ATOM 0 HG SER A 61 114.020 1.408 7.218 1.00 0.00 H new ATOM 779 N THR A 62 114.713 1.120 2.265 1.00 0.00 N ATOM 780 CA THR A 62 114.838 1.684 0.927 1.00 0.00 C ATOM 781 C THR A 62 114.268 0.737 -0.119 1.00 0.00 C ATOM 782 O THR A 62 114.042 1.127 -1.264 1.00 0.00 O ATOM 783 CB THR A 62 116.300 1.985 0.601 1.00 0.00 C ATOM 784 OG1 THR A 62 117.127 1.762 1.729 1.00 0.00 O ATOM 785 CG2 THR A 62 116.530 3.407 0.137 1.00 0.00 C ATOM 0 H THR A 62 115.385 0.383 2.476 1.00 0.00 H new ATOM 0 HA THR A 62 114.270 2.614 0.907 1.00 0.00 H new ATOM 0 HB THR A 62 116.556 1.307 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 62 117.376 0.815 1.770 1.00 0.00 H new ATOM 0 HG21 THR A 62 117.589 3.553 -0.077 1.00 0.00 H new ATOM 0 HG22 THR A 62 115.948 3.594 -0.765 1.00 0.00 H new ATOM 0 HG23 THR A 62 116.219 4.100 0.919 1.00 0.00 H new ATOM 793 N TYR A 63 114.034 -0.511 0.280 1.00 0.00 N ATOM 794 CA TYR A 63 113.486 -1.515 -0.621 1.00 0.00 C ATOM 795 C TYR A 63 112.309 -0.953 -1.407 1.00 0.00 C ATOM 796 O TYR A 63 112.035 -1.383 -2.525 1.00 0.00 O ATOM 797 CB TYR A 63 113.044 -2.747 0.160 1.00 0.00 C ATOM 798 CG TYR A 63 114.080 -3.847 0.200 1.00 0.00 C ATOM 799 CD1 TYR A 63 115.424 -3.556 0.398 1.00 0.00 C ATOM 800 CD2 TYR A 63 113.715 -5.178 0.041 1.00 0.00 C ATOM 801 CE1 TYR A 63 116.375 -4.559 0.435 1.00 0.00 C ATOM 802 CE2 TYR A 63 114.659 -6.187 0.078 1.00 0.00 C ATOM 803 CZ TYR A 63 115.986 -5.873 0.276 1.00 0.00 C ATOM 804 OH TYR A 63 116.929 -6.875 0.312 1.00 0.00 O ATOM 0 H TYR A 63 114.217 -0.849 1.225 1.00 0.00 H new ATOM 0 HA TYR A 63 114.269 -1.801 -1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 63 112.802 -2.451 1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 63 112.129 -3.138 -0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 63 115.731 -2.528 0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 63 112.676 -5.429 -0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 63 117.416 -4.315 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 63 114.358 -7.217 -0.048 1.00 0.00 H new ATOM 0 HH TYR A 63 116.490 -7.742 0.185 1.00 0.00 H new ATOM 814 N THR A 64 111.627 0.027 -0.819 1.00 0.00 N ATOM 815 CA THR A 64 110.493 0.663 -1.477 1.00 0.00 C ATOM 816 C THR A 64 110.855 1.046 -2.910 1.00 0.00 C ATOM 817 O THR A 64 109.994 1.104 -3.787 1.00 0.00 O ATOM 818 CB THR A 64 110.051 1.903 -0.698 1.00 0.00 C ATOM 819 OG1 THR A 64 110.087 1.659 0.697 1.00 0.00 O ATOM 820 CG2 THR A 64 108.653 2.363 -1.048 1.00 0.00 C ATOM 0 H THR A 64 111.840 0.395 0.108 1.00 0.00 H new ATOM 0 HA THR A 64 109.667 -0.048 -1.502 1.00 0.00 H new ATOM 0 HB THR A 64 110.755 2.686 -0.980 1.00 0.00 H new ATOM 0 HG1 THR A 64 110.960 1.925 1.053 1.00 0.00 H new ATOM 0 HG21 THR A 64 108.403 3.246 -0.460 1.00 0.00 H new ATOM 0 HG22 THR A 64 108.606 2.608 -2.109 1.00 0.00 H new ATOM 0 HG23 THR A 64 107.942 1.567 -0.828 1.00 0.00 H new ATOM 828 N GLY A 65 112.145 1.297 -3.140 1.00 0.00 N ATOM 829 CA GLY A 65 112.605 1.660 -4.465 1.00 0.00 C ATOM 830 C GLY A 65 113.409 0.554 -5.127 1.00 0.00 C ATOM 831 O GLY A 65 113.711 0.628 -6.318 1.00 0.00 O ATOM 0 H GLY A 65 112.876 1.254 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 65 111.746 1.904 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 65 113.217 2.560 -4.399 1.00 0.00 H new ATOM 835 N ILE A 66 113.756 -0.477 -4.357 1.00 0.00 N ATOM 836 CA ILE A 66 114.526 -1.597 -4.882 1.00 0.00 C ATOM 837 C ILE A 66 113.633 -2.804 -5.161 1.00 0.00 C ATOM 838 O ILE A 66 114.057 -3.758 -5.809 1.00 0.00 O ATOM 839 CB ILE A 66 115.641 -2.018 -3.907 1.00 0.00 C ATOM 840 CG1 ILE A 66 116.338 -0.787 -3.323 1.00 0.00 C ATOM 841 CG2 ILE A 66 116.647 -2.921 -4.606 1.00 0.00 C ATOM 842 CD1 ILE A 66 117.316 -1.115 -2.216 1.00 0.00 C ATOM 0 H ILE A 66 113.515 -0.557 -3.369 1.00 0.00 H new ATOM 0 HA ILE A 66 114.974 -1.257 -5.816 1.00 0.00 H new ATOM 0 HB ILE A 66 115.189 -2.576 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 66 116.867 -0.266 -4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 66 115.584 -0.100 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 66 117.428 -3.209 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.141 -3.814 -4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.093 -2.387 -5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 66 117.772 -0.196 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 66 116.789 -1.609 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 66 118.092 -1.777 -2.600 1.00 0.00 H new ATOM 854 N PHE A 67 112.393 -2.758 -4.668 1.00 0.00 N ATOM 855 CA PHE A 67 111.443 -3.851 -4.868 1.00 0.00 C ATOM 856 C PHE A 67 111.497 -4.372 -6.303 1.00 0.00 C ATOM 857 O PHE A 67 111.271 -5.555 -6.555 1.00 0.00 O ATOM 858 CB PHE A 67 110.023 -3.387 -4.534 1.00 0.00 C ATOM 859 CG PHE A 67 109.238 -4.386 -3.734 1.00 0.00 C ATOM 860 CD1 PHE A 67 109.273 -4.367 -2.349 1.00 0.00 C ATOM 861 CD2 PHE A 67 108.464 -5.346 -4.367 1.00 0.00 C ATOM 862 CE1 PHE A 67 108.552 -5.286 -1.611 1.00 0.00 C ATOM 863 CE2 PHE A 67 107.740 -6.267 -3.634 1.00 0.00 C ATOM 864 CZ PHE A 67 107.784 -6.237 -2.253 1.00 0.00 C ATOM 0 H PHE A 67 112.025 -1.975 -4.128 1.00 0.00 H new ATOM 0 HA PHE A 67 111.721 -4.665 -4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 67 110.077 -2.451 -3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 67 109.490 -3.177 -5.462 1.00 0.00 H new ATOM 0 HD1 PHE A 67 109.871 -3.625 -1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 67 108.426 -5.375 -5.446 1.00 0.00 H new ATOM 0 HE1 PHE A 67 108.589 -5.260 -0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 67 107.140 -7.009 -4.140 1.00 0.00 H new ATOM 0 HZ PHE A 67 107.219 -6.955 -1.678 1.00 0.00 H new ATOM 874 N THR A 68 111.807 -3.478 -7.236 1.00 0.00 N ATOM 875 CA THR A 68 111.903 -3.843 -8.642 1.00 0.00 C ATOM 876 C THR A 68 113.361 -3.929 -9.080 1.00 0.00 C ATOM 877 O THR A 68 113.694 -4.646 -10.024 1.00 0.00 O ATOM 878 CB THR A 68 111.154 -2.829 -9.509 1.00 0.00 C ATOM 879 OG1 THR A 68 110.040 -2.299 -8.813 1.00 0.00 O ATOM 880 CG2 THR A 68 110.647 -3.412 -10.811 1.00 0.00 C ATOM 0 H THR A 68 111.996 -2.495 -7.042 1.00 0.00 H new ATOM 0 HA THR A 68 111.445 -4.824 -8.770 1.00 0.00 H new ATOM 0 HB THR A 68 111.883 -2.052 -9.738 1.00 0.00 H new ATOM 0 HG1 THR A 68 109.576 -1.652 -9.384 1.00 0.00 H new ATOM 0 HG21 THR A 68 110.126 -2.640 -11.377 1.00 0.00 H new ATOM 0 HG22 THR A 68 111.489 -3.784 -11.395 1.00 0.00 H new ATOM 0 HG23 THR A 68 109.961 -4.232 -10.600 1.00 0.00 H new ATOM 888 N ASP A 69 114.230 -3.199 -8.385 1.00 0.00 N ATOM 889 CA ASP A 69 115.652 -3.204 -8.704 1.00 0.00 C ATOM 890 C ASP A 69 116.286 -4.525 -8.290 1.00 0.00 C ATOM 891 O ASP A 69 117.163 -5.049 -8.978 1.00 0.00 O ATOM 892 CB ASP A 69 116.359 -2.039 -8.008 1.00 0.00 C ATOM 893 CG ASP A 69 117.365 -1.351 -8.911 1.00 0.00 C ATOM 894 OD1 ASP A 69 117.143 -1.332 -10.140 1.00 0.00 O ATOM 895 OD2 ASP A 69 118.372 -0.830 -8.389 1.00 0.00 O ATOM 0 H ASP A 69 113.974 -2.599 -7.601 1.00 0.00 H new ATOM 0 HA ASP A 69 115.763 -3.087 -9.782 1.00 0.00 H new ATOM 0 HB2 ASP A 69 115.617 -1.313 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 69 116.867 -2.406 -7.116 1.00 0.00 H new ATOM 900 N GLN A 70 115.830 -5.064 -7.164 1.00 0.00 N ATOM 901 CA GLN A 70 116.346 -6.329 -6.659 1.00 0.00 C ATOM 902 C GLN A 70 115.980 -7.471 -7.602 1.00 0.00 C ATOM 903 O GLN A 70 116.714 -8.451 -7.721 1.00 0.00 O ATOM 904 CB GLN A 70 115.795 -6.609 -5.260 1.00 0.00 C ATOM 905 CG GLN A 70 114.290 -6.827 -5.230 1.00 0.00 C ATOM 906 CD GLN A 70 113.751 -6.976 -3.820 1.00 0.00 C ATOM 907 OE1 GLN A 70 113.600 -8.088 -3.314 1.00 0.00 O ATOM 908 NE2 GLN A 70 113.457 -5.852 -3.177 1.00 0.00 N ATOM 0 H GLN A 70 115.104 -4.643 -6.584 1.00 0.00 H new ATOM 0 HA GLN A 70 117.432 -6.257 -6.602 1.00 0.00 H new ATOM 0 HB2 GLN A 70 116.290 -7.491 -4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 70 116.046 -5.774 -4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 70 113.795 -5.987 -5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 70 114.044 -7.720 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 70 113.598 -4.951 -3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 70 113.091 -5.889 -2.226 1.00 0.00 H new ATOM 917 N VAL A 71 114.840 -7.333 -8.274 1.00 0.00 N ATOM 918 CA VAL A 71 114.376 -8.348 -9.208 1.00 0.00 C ATOM 919 C VAL A 71 115.036 -8.169 -10.572 1.00 0.00 C ATOM 920 O VAL A 71 115.464 -9.139 -11.198 1.00 0.00 O ATOM 921 CB VAL A 71 112.845 -8.287 -9.370 1.00 0.00 C ATOM 922 CG1 VAL A 71 112.364 -9.310 -10.390 1.00 0.00 C ATOM 923 CG2 VAL A 71 112.161 -8.501 -8.028 1.00 0.00 C ATOM 0 H VAL A 71 114.222 -6.526 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 71 114.652 -9.321 -8.801 1.00 0.00 H new ATOM 0 HB VAL A 71 112.580 -7.296 -9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 71 111.280 -9.246 -10.486 1.00 0.00 H new ATOM 0 HG12 VAL A 71 112.826 -9.106 -11.356 1.00 0.00 H new ATOM 0 HG13 VAL A 71 112.641 -10.311 -10.060 1.00 0.00 H new ATOM 0 HG21 VAL A 71 111.080 -8.455 -8.159 1.00 0.00 H new ATOM 0 HG22 VAL A 71 112.437 -9.478 -7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 71 112.475 -7.724 -7.331 1.00 0.00 H new ATOM 933 N LEU A 72 115.116 -6.923 -11.024 1.00 0.00 N ATOM 934 CA LEU A 72 115.725 -6.613 -12.311 1.00 0.00 C ATOM 935 C LEU A 72 117.186 -7.050 -12.337 1.00 0.00 C ATOM 936 O LEU A 72 117.732 -7.362 -13.395 1.00 0.00 O ATOM 937 CB LEU A 72 115.624 -5.114 -12.599 1.00 0.00 C ATOM 938 CG LEU A 72 115.478 -4.747 -14.077 1.00 0.00 C ATOM 939 CD1 LEU A 72 115.238 -3.254 -14.235 1.00 0.00 C ATOM 940 CD2 LEU A 72 116.712 -5.176 -14.856 1.00 0.00 C ATOM 0 H LEU A 72 114.766 -6.110 -10.517 1.00 0.00 H new ATOM 0 HA LEU A 72 115.185 -7.161 -13.083 1.00 0.00 H new ATOM 0 HB2 LEU A 72 114.770 -4.712 -12.054 1.00 0.00 H new ATOM 0 HB3 LEU A 72 116.514 -4.623 -12.205 1.00 0.00 H new ATOM 0 HG LEU A 72 114.615 -5.277 -14.480 1.00 0.00 H new ATOM 0 HD11 LEU A 72 115.137 -3.012 -15.293 1.00 0.00 H new ATOM 0 HD12 LEU A 72 114.325 -2.975 -13.710 1.00 0.00 H new ATOM 0 HD13 LEU A 72 116.080 -2.704 -13.816 1.00 0.00 H new ATOM 0 HD21 LEU A 72 116.591 -4.907 -15.905 1.00 0.00 H new ATOM 0 HD22 LEU A 72 117.591 -4.673 -14.451 1.00 0.00 H new ATOM 0 HD23 LEU A 72 116.840 -6.255 -14.770 1.00 0.00 H new ATOM 952 N SER A 73 117.813 -7.073 -11.165 1.00 0.00 N ATOM 953 CA SER A 73 119.211 -7.474 -11.054 1.00 0.00 C ATOM 954 C SER A 73 119.348 -8.992 -11.120 1.00 0.00 C ATOM 955 O SER A 73 120.408 -9.514 -11.466 1.00 0.00 O ATOM 956 CB SER A 73 119.811 -6.954 -9.747 1.00 0.00 C ATOM 957 OG SER A 73 118.827 -6.874 -8.730 1.00 0.00 O ATOM 0 H SER A 73 117.375 -6.819 -10.279 1.00 0.00 H new ATOM 0 HA SER A 73 119.755 -7.040 -11.893 1.00 0.00 H new ATOM 0 HB2 SER A 73 120.618 -7.613 -9.426 1.00 0.00 H new ATOM 0 HB3 SER A 73 120.250 -5.970 -9.911 1.00 0.00 H new ATOM 0 HG SER A 73 118.582 -5.936 -8.585 1.00 0.00 H new ATOM 963 N VAL A 74 118.270 -9.699 -10.789 1.00 0.00 N ATOM 964 CA VAL A 74 118.275 -11.156 -10.816 1.00 0.00 C ATOM 965 C VAL A 74 118.620 -11.668 -12.208 1.00 0.00 C ATOM 966 O VAL A 74 119.223 -12.730 -12.359 1.00 0.00 O ATOM 967 CB VAL A 74 116.913 -11.731 -10.377 1.00 0.00 C ATOM 968 CG1 VAL A 74 116.904 -13.250 -10.481 1.00 0.00 C ATOM 969 CG2 VAL A 74 116.587 -11.289 -8.960 1.00 0.00 C ATOM 0 H VAL A 74 117.384 -9.285 -10.500 1.00 0.00 H new ATOM 0 HA VAL A 74 119.036 -11.491 -10.111 1.00 0.00 H new ATOM 0 HB VAL A 74 116.146 -11.344 -11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 74 115.932 -13.631 -10.166 1.00 0.00 H new ATOM 0 HG12 VAL A 74 117.092 -13.545 -11.513 1.00 0.00 H new ATOM 0 HG13 VAL A 74 117.681 -13.663 -9.838 1.00 0.00 H new ATOM 0 HG21 VAL A 74 115.623 -11.702 -8.663 1.00 0.00 H new ATOM 0 HG22 VAL A 74 117.360 -11.647 -8.280 1.00 0.00 H new ATOM 0 HG23 VAL A 74 116.544 -10.201 -8.919 1.00 0.00 H new ATOM 979 N LEU A 75 118.244 -10.899 -13.226 1.00 0.00 N ATOM 980 CA LEU A 75 118.527 -11.272 -14.607 1.00 0.00 C ATOM 981 C LEU A 75 120.024 -11.502 -14.799 1.00 0.00 C ATOM 982 O LEU A 75 120.441 -12.227 -15.703 1.00 0.00 O ATOM 983 CB LEU A 75 118.034 -10.182 -15.564 1.00 0.00 C ATOM 984 CG LEU A 75 116.871 -10.595 -16.468 1.00 0.00 C ATOM 985 CD1 LEU A 75 115.547 -10.446 -15.737 1.00 0.00 C ATOM 986 CD2 LEU A 75 116.875 -9.771 -17.746 1.00 0.00 C ATOM 0 H LEU A 75 117.744 -10.016 -13.120 1.00 0.00 H new ATOM 0 HA LEU A 75 117.999 -12.199 -14.830 1.00 0.00 H new ATOM 0 HB2 LEU A 75 117.729 -9.315 -14.978 1.00 0.00 H new ATOM 0 HB3 LEU A 75 118.868 -9.865 -16.191 1.00 0.00 H new ATOM 0 HG LEU A 75 116.996 -11.644 -16.735 1.00 0.00 H new ATOM 0 HD11 LEU A 75 114.732 -10.744 -16.396 1.00 0.00 H new ATOM 0 HD12 LEU A 75 115.547 -11.080 -14.850 1.00 0.00 H new ATOM 0 HD13 LEU A 75 115.411 -9.406 -15.439 1.00 0.00 H new ATOM 0 HD21 LEU A 75 116.042 -10.077 -18.379 1.00 0.00 H new ATOM 0 HD22 LEU A 75 116.774 -8.714 -17.498 1.00 0.00 H new ATOM 0 HD23 LEU A 75 117.812 -9.930 -18.279 1.00 0.00 H new ATOM 998 N LYS A 76 120.827 -10.884 -13.936 1.00 0.00 N ATOM 999 CA LYS A 76 122.276 -11.023 -14.000 1.00 0.00 C ATOM 1000 C LYS A 76 122.942 -10.259 -12.865 1.00 0.00 C ATOM 1001 O LYS A 76 122.854 -9.034 -12.786 1.00 0.00 O ATOM 1002 CB LYS A 76 122.803 -10.530 -15.351 1.00 0.00 C ATOM 1003 CG LYS A 76 123.136 -11.653 -16.320 1.00 0.00 C ATOM 1004 CD LYS A 76 124.634 -11.909 -16.386 1.00 0.00 C ATOM 1005 CE LYS A 76 125.023 -12.610 -17.676 1.00 0.00 C ATOM 1006 NZ LYS A 76 126.159 -13.551 -17.476 1.00 0.00 N ATOM 0 H LYS A 76 120.496 -10.281 -13.183 1.00 0.00 H new ATOM 0 HA LYS A 76 122.521 -12.080 -13.894 1.00 0.00 H new ATOM 0 HB2 LYS A 76 122.058 -9.877 -15.806 1.00 0.00 H new ATOM 0 HB3 LYS A 76 123.696 -9.927 -15.185 1.00 0.00 H new ATOM 0 HG2 LYS A 76 122.624 -12.564 -16.012 1.00 0.00 H new ATOM 0 HG3 LYS A 76 122.765 -11.399 -17.313 1.00 0.00 H new ATOM 0 HD2 LYS A 76 125.170 -10.963 -16.309 1.00 0.00 H new ATOM 0 HD3 LYS A 76 124.938 -12.517 -15.534 1.00 0.00 H new ATOM 0 HE2 LYS A 76 124.164 -13.156 -18.066 1.00 0.00 H new ATOM 0 HE3 LYS A 76 125.295 -11.867 -18.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 126.394 -14.009 -18.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 126.987 -13.027 -17.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 125.891 -14.276 -16.780 1.00 0.00 H new ATOM 1020 N GLY A 77 123.599 -10.999 -11.980 1.00 0.00 N ATOM 1021 CA GLY A 77 124.263 -10.389 -10.846 1.00 0.00 C ATOM 1022 C GLY A 77 123.617 -10.778 -9.531 1.00 0.00 C ATOM 1023 O GLY A 77 124.150 -10.487 -8.460 1.00 0.00 O ATOM 0 H GLY A 77 123.683 -12.014 -12.029 1.00 0.00 H new ATOM 0 HA2 GLY A 77 125.311 -10.687 -10.837 1.00 0.00 H new ATOM 0 HA3 GLY A 77 124.241 -9.305 -10.954 1.00 0.00 H new ATOM 1027 N GLU A 78 122.465 -11.445 -9.615 1.00 0.00 N ATOM 1028 CA GLU A 78 121.736 -11.886 -8.431 1.00 0.00 C ATOM 1029 C GLU A 78 121.682 -10.789 -7.370 1.00 0.00 C ATOM 1030 O GLU A 78 121.653 -11.069 -6.173 1.00 0.00 O ATOM 1031 CB GLU A 78 122.391 -13.140 -7.860 1.00 0.00 C ATOM 1032 CG GLU A 78 121.620 -13.762 -6.707 1.00 0.00 C ATOM 1033 CD GLU A 78 122.473 -13.951 -5.468 1.00 0.00 C ATOM 1034 OE1 GLU A 78 123.139 -15.002 -5.360 1.00 0.00 O ATOM 1035 OE2 GLU A 78 122.475 -13.048 -4.605 1.00 0.00 O ATOM 0 H GLU A 78 122.017 -11.691 -10.497 1.00 0.00 H new ATOM 0 HA GLU A 78 120.712 -12.114 -8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 78 122.496 -13.878 -8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 78 123.397 -12.891 -7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 78 120.767 -13.129 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 78 121.222 -14.727 -7.020 1.00 0.00 H new ATOM 1042 N GLU A 79 121.669 -9.541 -7.824 1.00 0.00 N ATOM 1043 CA GLU A 79 121.617 -8.400 -6.918 1.00 0.00 C ATOM 1044 C GLU A 79 120.175 -8.000 -6.626 1.00 0.00 C ATOM 1045 O GLU A 79 119.264 -8.791 -6.955 1.00 0.00 O ATOM 1046 CB GLU A 79 122.378 -7.214 -7.517 1.00 0.00 C ATOM 1047 CG GLU A 79 123.818 -7.113 -7.043 1.00 0.00 C ATOM 1048 CD GLU A 79 124.010 -6.044 -5.985 1.00 0.00 C ATOM 1049 OE1 GLU A 79 123.725 -6.323 -4.801 1.00 0.00 O ATOM 1050 OE2 GLU A 79 124.446 -4.929 -6.340 1.00 0.00 O ATOM 1051 OXT GLU A 79 119.966 -6.900 -6.072 1.00 0.00 O ATOM 0 H GLU A 79 121.694 -9.294 -8.813 1.00 0.00 H new ATOM 0 HA GLU A 79 122.089 -8.691 -5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 79 122.367 -7.298 -8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 79 121.855 -6.292 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 79 124.133 -8.076 -6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 79 124.463 -6.896 -7.895 1.00 0.00 H new TER 1058 GLU A 79