USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 55 THR OG1 : rot 113:sc= -0.386 USER MOD Set 1.2: A 57 SER OG : rot 150:sc= -0.469 USER MOD Set 2.1: A 7 THR OG1 : rot 122:sc= 1.16 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.976 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 150:sc= -1.62! (180deg=-1.43!) USER MOD Set 3.2: A 12 THR OG1 : rot 170:sc= -1.52! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.0806 (180deg=-0.529) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -82:sc= 1.57 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00979 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0.457) USER MOD Single : A 31 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.88) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.95 X(o=-0.95,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= -0.553! C(o=-0.55!,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ -114:sc= -1.5 (180deg=-3.64!) USER MOD Single : A 49 GLN : amide:sc= -1.7 K(o=-1.7,f=-7.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.09! K(o=-2.1!,f=-0.024) USER MOD Single : A 62 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.8) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -88:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 75.728 -16.217 8.286 1.00 0.00 N ATOM 2 CA MET A 1 74.713 -16.238 7.196 1.00 0.00 C ATOM 3 C MET A 1 74.886 -15.003 6.319 1.00 0.00 C ATOM 4 O MET A 1 74.086 -14.068 6.381 1.00 0.00 O ATOM 5 CB MET A 1 73.311 -16.251 7.809 1.00 0.00 C ATOM 6 CG MET A 1 73.058 -17.602 8.480 1.00 0.00 C ATOM 7 SD MET A 1 71.542 -17.512 9.465 1.00 0.00 S ATOM 8 CE MET A 1 72.281 -17.947 11.059 1.00 0.00 C ATOM 0 H1 MET A 1 75.908 -17.188 8.611 1.00 0.00 H new ATOM 0 H2 MET A 1 76.612 -15.801 7.929 1.00 0.00 H new ATOM 0 H3 MET A 1 75.373 -15.647 9.080 1.00 0.00 H new ATOM 0 HA MET A 1 74.846 -17.131 6.586 1.00 0.00 H new ATOM 0 HB2 MET A 1 73.215 -15.447 8.539 1.00 0.00 H new ATOM 0 HB3 MET A 1 72.563 -16.071 7.036 1.00 0.00 H new ATOM 0 HG2 MET A 1 72.968 -18.384 7.726 1.00 0.00 H new ATOM 0 HG3 MET A 1 73.902 -17.868 9.116 1.00 0.00 H new ATOM 0 HE1 MET A 1 71.509 -17.952 11.829 1.00 0.00 H new ATOM 0 HE2 MET A 1 72.733 -18.937 10.992 1.00 0.00 H new ATOM 0 HE3 MET A 1 73.046 -17.215 11.317 1.00 0.00 H new ATOM 20 N GLN A 2 75.934 -15.006 5.500 1.00 0.00 N ATOM 21 CA GLN A 2 76.201 -13.881 4.613 1.00 0.00 C ATOM 22 C GLN A 2 75.151 -13.803 3.514 1.00 0.00 C ATOM 23 O GLN A 2 74.408 -14.747 3.296 1.00 0.00 O ATOM 24 CB GLN A 2 77.589 -14.026 3.988 1.00 0.00 C ATOM 25 CG GLN A 2 77.619 -15.266 3.092 1.00 0.00 C ATOM 26 CD GLN A 2 78.994 -15.923 3.155 1.00 0.00 C ATOM 27 OE1 GLN A 2 79.357 -16.506 4.177 1.00 0.00 O ATOM 28 NE2 GLN A 2 79.784 -15.862 2.119 1.00 0.00 N ATOM 0 H GLN A 2 76.607 -15.770 5.433 1.00 0.00 H new ATOM 0 HA GLN A 2 76.162 -12.964 5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 2 77.832 -13.137 3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 2 78.344 -14.111 4.769 1.00 0.00 H new ATOM 0 HG2 GLN A 2 76.854 -15.974 3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 2 77.387 -14.988 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 2 79.480 -15.378 1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 2 80.705 -16.298 2.154 1.00 0.00 H new ATOM 37 N ILE A 3 75.105 -12.667 2.833 1.00 0.00 N ATOM 38 CA ILE A 3 74.146 -12.454 1.747 1.00 0.00 C ATOM 39 C ILE A 3 74.776 -11.555 0.684 1.00 0.00 C ATOM 40 O ILE A 3 75.880 -11.047 0.880 1.00 0.00 O ATOM 41 CB ILE A 3 72.879 -11.791 2.283 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.256 -10.603 3.167 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.083 -12.803 3.102 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.113 -9.589 3.159 1.00 0.00 C ATOM 0 H ILE A 3 75.721 -11.873 3.011 1.00 0.00 H new ATOM 0 HA ILE A 3 73.885 -13.418 1.311 1.00 0.00 H new ATOM 0 HB ILE A 3 72.273 -11.441 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.453 -10.940 4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.172 -10.139 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.179 -12.330 3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 3 71.811 -13.649 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.690 -13.154 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.376 -8.739 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 3 71.939 -9.245 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.208 -10.058 3.544 1.00 0.00 H new ATOM 56 N PHE A 4 74.080 -11.367 -0.436 1.00 0.00 N ATOM 57 CA PHE A 4 74.600 -10.528 -1.515 1.00 0.00 C ATOM 58 C PHE A 4 73.668 -9.354 -1.810 1.00 0.00 C ATOM 59 O PHE A 4 72.456 -9.528 -1.945 1.00 0.00 O ATOM 60 CB PHE A 4 74.777 -11.367 -2.782 1.00 0.00 C ATOM 61 CG PHE A 4 75.919 -12.331 -2.579 1.00 0.00 C ATOM 62 CD1 PHE A 4 75.655 -13.667 -2.249 1.00 0.00 C ATOM 63 CD2 PHE A 4 77.242 -11.891 -2.711 1.00 0.00 C ATOM 64 CE1 PHE A 4 76.713 -14.562 -2.052 1.00 0.00 C ATOM 65 CE2 PHE A 4 78.300 -12.787 -2.513 1.00 0.00 C ATOM 66 CZ PHE A 4 78.036 -14.122 -2.184 1.00 0.00 C ATOM 0 H PHE A 4 73.165 -11.779 -0.619 1.00 0.00 H new ATOM 0 HA PHE A 4 75.562 -10.128 -1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 4 73.859 -11.912 -3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 4 74.978 -10.721 -3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 4 74.635 -14.006 -2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 4 77.446 -10.861 -2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 4 76.509 -15.592 -1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 4 79.320 -12.448 -2.614 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.852 -14.812 -2.032 1.00 0.00 H new ATOM 76 N VAL A 5 74.248 -8.160 -1.919 1.00 0.00 N ATOM 77 CA VAL A 5 73.478 -6.954 -2.213 1.00 0.00 C ATOM 78 C VAL A 5 74.038 -6.272 -3.458 1.00 0.00 C ATOM 79 O VAL A 5 75.238 -6.033 -3.552 1.00 0.00 O ATOM 80 CB VAL A 5 73.539 -5.984 -1.030 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.535 -4.847 -1.247 1.00 0.00 C ATOM 82 CG2 VAL A 5 73.190 -6.731 0.258 1.00 0.00 C ATOM 0 H VAL A 5 75.250 -8.002 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 5 72.440 -7.237 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 5 74.544 -5.570 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 5 72.579 -4.157 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 5 72.781 -4.314 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.529 -5.260 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.233 -6.042 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 5 72.185 -7.144 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.903 -7.540 0.414 1.00 0.00 H new ATOM 92 N LYS A 6 73.165 -5.968 -4.413 1.00 0.00 N ATOM 93 CA LYS A 6 73.596 -5.319 -5.649 1.00 0.00 C ATOM 94 C LYS A 6 73.204 -3.844 -5.655 1.00 0.00 C ATOM 95 O LYS A 6 72.121 -3.476 -5.198 1.00 0.00 O ATOM 96 CB LYS A 6 72.967 -6.022 -6.853 1.00 0.00 C ATOM 97 CG LYS A 6 73.982 -6.989 -7.466 1.00 0.00 C ATOM 98 CD LYS A 6 73.248 -8.011 -8.329 1.00 0.00 C ATOM 99 CE LYS A 6 74.165 -8.485 -9.458 1.00 0.00 C ATOM 100 NZ LYS A 6 75.572 -8.523 -8.974 1.00 0.00 N ATOM 0 H LYS A 6 72.164 -6.158 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 6 74.682 -5.390 -5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 6 72.073 -6.564 -6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 6 72.655 -5.287 -7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 6 74.706 -6.440 -8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 6 74.541 -7.495 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 6 72.937 -8.859 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 6 72.343 -7.568 -8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 6 73.859 -9.475 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 6 74.082 -7.815 -10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 76.093 -9.268 -9.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 76.025 -7.603 -9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 75.583 -8.725 -7.954 1.00 0.00 H new ATOM 114 N THR A 7 74.096 -3.008 -6.179 1.00 0.00 N ATOM 115 CA THR A 7 73.846 -1.573 -6.248 1.00 0.00 C ATOM 116 C THR A 7 73.556 -1.150 -7.685 1.00 0.00 C ATOM 117 O THR A 7 73.572 -1.975 -8.599 1.00 0.00 O ATOM 118 CB THR A 7 75.062 -0.804 -5.723 1.00 0.00 C ATOM 119 OG1 THR A 7 76.201 -1.137 -6.503 1.00 0.00 O ATOM 120 CG2 THR A 7 75.312 -1.179 -4.262 1.00 0.00 C ATOM 0 H THR A 7 74.996 -3.299 -6.561 1.00 0.00 H new ATOM 0 HA THR A 7 72.978 -1.344 -5.630 1.00 0.00 H new ATOM 0 HB THR A 7 74.875 0.268 -5.792 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.577 -0.322 -6.897 1.00 0.00 H new ATOM 0 HG21 THR A 7 76.177 -0.632 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.436 -0.923 -3.666 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.501 -2.250 -4.188 1.00 0.00 H new ATOM 128 N LEU A 8 73.293 0.138 -7.878 1.00 0.00 N ATOM 129 CA LEU A 8 73.003 0.657 -9.210 1.00 0.00 C ATOM 130 C LEU A 8 74.261 0.649 -10.073 1.00 0.00 C ATOM 131 O LEU A 8 74.209 0.944 -11.265 1.00 0.00 O ATOM 132 CB LEU A 8 72.458 2.086 -9.115 1.00 0.00 C ATOM 133 CG LEU A 8 71.173 2.102 -8.281 1.00 0.00 C ATOM 134 CD1 LEU A 8 70.676 3.541 -8.137 1.00 0.00 C ATOM 135 CD2 LEU A 8 70.090 1.262 -8.971 1.00 0.00 C ATOM 0 H LEU A 8 73.275 0.837 -7.136 1.00 0.00 H new ATOM 0 HA LEU A 8 72.252 0.015 -9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 8 73.204 2.739 -8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 8 72.258 2.475 -10.113 1.00 0.00 H new ATOM 0 HG LEU A 8 71.383 1.683 -7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 8 69.762 3.553 -7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 8 71.438 4.141 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.473 3.956 -9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 8 69.180 1.279 -8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.882 1.676 -9.958 1.00 0.00 H new ATOM 0 HD23 LEU A 8 70.438 0.234 -9.074 1.00 0.00 H new ATOM 147 N THR A 9 75.391 0.312 -9.458 1.00 0.00 N ATOM 148 CA THR A 9 76.656 0.270 -10.181 1.00 0.00 C ATOM 149 C THR A 9 76.987 -1.160 -10.600 1.00 0.00 C ATOM 150 O THR A 9 78.006 -1.408 -11.245 1.00 0.00 O ATOM 151 CB THR A 9 77.780 0.815 -9.298 1.00 0.00 C ATOM 152 OG1 THR A 9 77.859 0.047 -8.106 1.00 0.00 O ATOM 153 CG2 THR A 9 77.492 2.277 -8.949 1.00 0.00 C ATOM 0 H THR A 9 75.456 0.066 -8.470 1.00 0.00 H new ATOM 0 HA THR A 9 76.562 0.887 -11.075 1.00 0.00 H new ATOM 0 HB THR A 9 78.727 0.751 -9.833 1.00 0.00 H new ATOM 0 HG1 THR A 9 78.580 0.395 -7.540 1.00 0.00 H new ATOM 0 HG21 THR A 9 78.293 2.665 -8.320 1.00 0.00 H new ATOM 0 HG22 THR A 9 77.433 2.865 -9.865 1.00 0.00 H new ATOM 0 HG23 THR A 9 76.545 2.343 -8.413 1.00 0.00 H new ATOM 161 N GLY A 10 76.117 -2.095 -10.232 1.00 0.00 N ATOM 162 CA GLY A 10 76.327 -3.497 -10.576 1.00 0.00 C ATOM 163 C GLY A 10 77.357 -4.136 -9.651 1.00 0.00 C ATOM 164 O GLY A 10 77.904 -5.197 -9.954 1.00 0.00 O ATOM 0 H GLY A 10 75.267 -1.910 -9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.383 -4.038 -10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 10 76.663 -3.576 -11.610 1.00 0.00 H new ATOM 168 N LYS A 11 77.617 -3.484 -8.522 1.00 0.00 N ATOM 169 CA LYS A 11 78.584 -3.999 -7.560 1.00 0.00 C ATOM 170 C LYS A 11 77.886 -4.850 -6.503 1.00 0.00 C ATOM 171 O LYS A 11 76.997 -4.374 -5.798 1.00 0.00 O ATOM 172 CB LYS A 11 79.316 -2.839 -6.883 1.00 0.00 C ATOM 173 CG LYS A 11 80.577 -3.362 -6.192 1.00 0.00 C ATOM 174 CD LYS A 11 81.272 -2.214 -5.459 1.00 0.00 C ATOM 175 CE LYS A 11 82.365 -2.777 -4.550 1.00 0.00 C ATOM 176 NZ LYS A 11 82.929 -1.680 -3.712 1.00 0.00 N ATOM 0 H LYS A 11 77.175 -2.605 -8.252 1.00 0.00 H new ATOM 0 HA LYS A 11 79.304 -4.620 -8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.581 -2.082 -7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.663 -2.359 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.317 -4.152 -5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.252 -3.800 -6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 11 81.705 -1.518 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.547 -1.653 -4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 11 81.955 -3.561 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 11 83.153 -3.233 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 83.672 -2.063 -3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 83.334 -0.946 -4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 82.174 -1.265 -3.130 1.00 0.00 H new ATOM 190 N THR A 12 78.296 -6.109 -6.399 1.00 0.00 N ATOM 191 CA THR A 12 77.703 -7.017 -5.423 1.00 0.00 C ATOM 192 C THR A 12 78.454 -6.942 -4.096 1.00 0.00 C ATOM 193 O THR A 12 79.617 -7.338 -4.009 1.00 0.00 O ATOM 194 CB THR A 12 77.742 -8.452 -5.951 1.00 0.00 C ATOM 195 OG1 THR A 12 77.413 -8.454 -7.335 1.00 0.00 O ATOM 196 CG2 THR A 12 76.734 -9.308 -5.185 1.00 0.00 C ATOM 0 H THR A 12 79.031 -6.522 -6.973 1.00 0.00 H new ATOM 0 HA THR A 12 76.667 -6.718 -5.261 1.00 0.00 H new ATOM 0 HB THR A 12 78.742 -8.863 -5.813 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.593 -9.340 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 12 76.763 -10.330 -5.563 1.00 0.00 H new ATOM 0 HG22 THR A 12 76.986 -9.306 -4.125 1.00 0.00 H new ATOM 0 HG23 THR A 12 75.733 -8.900 -5.321 1.00 0.00 H new ATOM 204 N ILE A 13 77.784 -6.434 -3.064 1.00 0.00 N ATOM 205 CA ILE A 13 78.406 -6.319 -1.750 1.00 0.00 C ATOM 206 C ILE A 13 78.002 -7.488 -0.857 1.00 0.00 C ATOM 207 O ILE A 13 76.816 -7.756 -0.666 1.00 0.00 O ATOM 208 CB ILE A 13 77.986 -5.011 -1.071 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.460 -4.026 -2.117 1.00 0.00 C ATOM 210 CG2 ILE A 13 79.189 -4.392 -0.357 1.00 0.00 C ATOM 211 CD1 ILE A 13 77.242 -2.661 -1.461 1.00 0.00 C ATOM 0 H ILE A 13 76.822 -6.099 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 13 79.487 -6.328 -1.893 1.00 0.00 H new ATOM 0 HB ILE A 13 77.200 -5.225 -0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 13 78.170 -3.938 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.525 -4.392 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.887 -3.462 0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.562 -5.086 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.976 -4.186 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.867 -1.956 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.517 -2.757 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 13 78.187 -2.296 -1.059 1.00 0.00 H new ATOM 223 N THR A 14 78.996 -8.171 -0.300 1.00 0.00 N ATOM 224 CA THR A 14 78.733 -9.298 0.586 1.00 0.00 C ATOM 225 C THR A 14 78.914 -8.863 2.037 1.00 0.00 C ATOM 226 O THR A 14 79.932 -8.266 2.388 1.00 0.00 O ATOM 227 CB THR A 14 79.687 -10.451 0.269 1.00 0.00 C ATOM 228 OG1 THR A 14 79.846 -10.558 -1.139 1.00 0.00 O ATOM 229 CG2 THR A 14 79.114 -11.758 0.819 1.00 0.00 C ATOM 0 H THR A 14 79.985 -7.966 -0.445 1.00 0.00 H new ATOM 0 HA THR A 14 77.708 -9.636 0.435 1.00 0.00 H new ATOM 0 HB THR A 14 80.655 -10.259 0.732 1.00 0.00 H new ATOM 0 HG1 THR A 14 79.097 -11.066 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 14 79.795 -12.578 0.592 1.00 0.00 H new ATOM 0 HG22 THR A 14 78.992 -11.676 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.145 -11.953 0.358 1.00 0.00 H new ATOM 237 N LEU A 15 77.922 -9.148 2.873 1.00 0.00 N ATOM 238 CA LEU A 15 77.993 -8.759 4.278 1.00 0.00 C ATOM 239 C LEU A 15 77.445 -9.862 5.175 1.00 0.00 C ATOM 240 O LEU A 15 76.715 -10.740 4.721 1.00 0.00 O ATOM 241 CB LEU A 15 77.173 -7.481 4.532 1.00 0.00 C ATOM 242 CG LEU A 15 77.102 -6.601 3.275 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.113 -5.459 3.518 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.484 -6.013 2.974 1.00 0.00 C ATOM 0 H LEU A 15 77.069 -9.641 2.608 1.00 0.00 H new ATOM 0 HA LEU A 15 79.043 -8.580 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.165 -7.750 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.621 -6.916 5.349 1.00 0.00 H new ATOM 0 HG LEU A 15 76.775 -7.205 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 15 76.058 -4.830 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.127 -5.871 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.449 -4.861 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.428 -5.390 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.814 -5.408 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.195 -6.822 2.807 1.00 0.00 H new ATOM 256 N GLU A 16 77.785 -9.786 6.458 1.00 0.00 N ATOM 257 CA GLU A 16 77.303 -10.761 7.428 1.00 0.00 C ATOM 258 C GLU A 16 76.060 -10.207 8.114 1.00 0.00 C ATOM 259 O GLU A 16 76.087 -9.100 8.651 1.00 0.00 O ATOM 260 CB GLU A 16 78.386 -11.049 8.471 1.00 0.00 C ATOM 261 CG GLU A 16 79.655 -11.538 7.769 1.00 0.00 C ATOM 262 CD GLU A 16 80.349 -12.593 8.623 1.00 0.00 C ATOM 263 OE1 GLU A 16 80.400 -12.410 9.829 1.00 0.00 O ATOM 264 OE2 GLU A 16 80.819 -13.568 8.060 1.00 0.00 O ATOM 0 H GLU A 16 78.389 -9.063 6.848 1.00 0.00 H new ATOM 0 HA GLU A 16 77.058 -11.691 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 16 78.600 -10.148 9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.035 -11.802 9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 16 79.403 -11.955 6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 16 80.329 -10.700 7.593 1.00 0.00 H new ATOM 271 N VAL A 17 74.967 -10.961 8.070 1.00 0.00 N ATOM 272 CA VAL A 17 73.720 -10.499 8.671 1.00 0.00 C ATOM 273 C VAL A 17 73.008 -11.614 9.435 1.00 0.00 C ATOM 274 O VAL A 17 73.182 -12.797 9.142 1.00 0.00 O ATOM 275 CB VAL A 17 72.799 -9.962 7.574 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.588 -9.046 6.640 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.221 -11.130 6.773 1.00 0.00 C ATOM 0 H VAL A 17 74.917 -11.881 7.632 1.00 0.00 H new ATOM 0 HA VAL A 17 73.962 -9.711 9.384 1.00 0.00 H new ATOM 0 HB VAL A 17 71.987 -9.397 8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.928 -8.666 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 17 73.996 -8.211 7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.403 -9.607 6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.565 -10.746 5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 17 73.033 -11.697 6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.652 -11.781 7.437 1.00 0.00 H new ATOM 287 N GLU A 18 72.193 -11.212 10.410 1.00 0.00 N ATOM 288 CA GLU A 18 71.433 -12.160 11.221 1.00 0.00 C ATOM 289 C GLU A 18 69.938 -11.983 10.920 1.00 0.00 C ATOM 290 O GLU A 18 69.581 -11.202 10.048 1.00 0.00 O ATOM 291 CB GLU A 18 71.712 -11.917 12.712 1.00 0.00 C ATOM 292 CG GLU A 18 73.046 -11.181 12.900 1.00 0.00 C ATOM 293 CD GLU A 18 74.148 -11.828 12.066 1.00 0.00 C ATOM 294 OE1 GLU A 18 74.868 -11.088 11.413 1.00 0.00 O ATOM 295 OE2 GLU A 18 74.261 -13.042 12.087 1.00 0.00 O ATOM 0 H GLU A 18 72.043 -10.234 10.657 1.00 0.00 H new ATOM 0 HA GLU A 18 71.733 -13.179 10.979 1.00 0.00 H new ATOM 0 HB2 GLU A 18 70.903 -11.331 13.148 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.738 -12.869 13.242 1.00 0.00 H new ATOM 0 HG2 GLU A 18 72.933 -10.136 12.612 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.327 -11.193 13.953 1.00 0.00 H new ATOM 302 N PRO A 19 69.058 -12.676 11.598 1.00 0.00 N ATOM 303 CA PRO A 19 67.601 -12.542 11.347 1.00 0.00 C ATOM 304 C PRO A 19 66.994 -11.326 12.053 1.00 0.00 C ATOM 305 O PRO A 19 65.775 -11.170 12.089 1.00 0.00 O ATOM 306 CB PRO A 19 67.006 -13.846 11.885 1.00 0.00 C ATOM 307 CG PRO A 19 68.050 -14.480 12.756 1.00 0.00 C ATOM 308 CD PRO A 19 69.334 -13.651 12.657 1.00 0.00 C ATOM 0 HA PRO A 19 67.389 -12.383 10.290 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.097 -13.649 12.454 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.732 -14.511 11.066 1.00 0.00 H new ATOM 0 HG2 PRO A 19 67.706 -14.523 13.789 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.236 -15.506 12.439 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.562 -13.158 13.602 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.192 -14.276 12.408 1.00 0.00 H new ATOM 316 N SER A 20 67.855 -10.459 12.596 1.00 0.00 N ATOM 317 CA SER A 20 67.392 -9.240 13.276 1.00 0.00 C ATOM 318 C SER A 20 67.947 -8.022 12.537 1.00 0.00 C ATOM 319 O SER A 20 67.791 -6.874 12.950 1.00 0.00 O ATOM 320 CB SER A 20 67.853 -9.229 14.732 1.00 0.00 C ATOM 321 OG SER A 20 69.274 -9.225 14.776 1.00 0.00 O ATOM 0 H SER A 20 68.868 -10.575 12.580 1.00 0.00 H new ATOM 0 HA SER A 20 66.302 -9.212 13.268 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.460 -8.350 15.243 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.464 -10.103 15.255 1.00 0.00 H new ATOM 0 HG SER A 20 69.572 -9.216 15.709 1.00 0.00 H new ATOM 327 N ASP A 21 68.565 -8.339 11.421 1.00 0.00 N ATOM 328 CA ASP A 21 69.166 -7.385 10.496 1.00 0.00 C ATOM 329 C ASP A 21 68.088 -6.802 9.614 1.00 0.00 C ATOM 330 O ASP A 21 68.159 -6.864 8.385 1.00 0.00 O ATOM 331 CB ASP A 21 70.246 -8.027 9.656 1.00 0.00 C ATOM 332 CG ASP A 21 71.572 -8.021 10.406 1.00 0.00 C ATOM 333 OD1 ASP A 21 71.621 -8.577 11.490 1.00 0.00 O ATOM 334 OD2 ASP A 21 72.525 -7.471 9.879 1.00 0.00 O ATOM 0 H ASP A 21 68.671 -9.306 11.114 1.00 0.00 H new ATOM 0 HA ASP A 21 69.637 -6.591 11.075 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.964 -9.051 9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.351 -7.490 8.713 1.00 0.00 H new ATOM 339 N THR A 22 67.027 -6.370 10.247 1.00 0.00 N ATOM 340 CA THR A 22 65.854 -5.931 9.513 1.00 0.00 C ATOM 341 C THR A 22 66.151 -4.712 8.666 1.00 0.00 C ATOM 342 O THR A 22 66.983 -3.882 9.002 1.00 0.00 O ATOM 343 CB THR A 22 64.777 -5.503 10.515 1.00 0.00 C ATOM 344 OG1 THR A 22 64.806 -4.089 10.646 1.00 0.00 O ATOM 345 CG2 THR A 22 65.058 -6.138 11.870 1.00 0.00 C ATOM 0 H THR A 22 66.945 -6.311 11.262 1.00 0.00 H new ATOM 0 HA THR A 22 65.536 -6.758 8.878 1.00 0.00 H new ATOM 0 HB THR A 22 63.798 -5.826 10.161 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.119 -3.805 11.284 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.291 -5.832 12.581 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.050 -7.224 11.772 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.035 -5.813 12.228 1.00 0.00 H new ATOM 353 N ILE A 23 65.462 -4.680 7.527 1.00 0.00 N ATOM 354 CA ILE A 23 65.603 -3.628 6.530 1.00 0.00 C ATOM 355 C ILE A 23 66.105 -2.325 7.147 1.00 0.00 C ATOM 356 O ILE A 23 66.923 -1.624 6.552 1.00 0.00 O ATOM 357 CB ILE A 23 64.247 -3.407 5.864 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.522 -4.754 5.688 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.424 -2.737 4.503 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.447 -5.791 5.027 1.00 0.00 C ATOM 0 H ILE A 23 64.782 -5.395 7.270 1.00 0.00 H new ATOM 0 HA ILE A 23 66.344 -3.939 5.793 1.00 0.00 H new ATOM 0 HB ILE A 23 63.649 -2.756 6.502 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.190 -5.123 6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.630 -4.615 5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.448 -2.587 4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.916 -1.773 4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.035 -3.372 3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 23 63.913 -6.734 4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.758 -5.429 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.326 -5.945 5.652 1.00 0.00 H new ATOM 372 N GLU A 24 65.619 -2.011 8.341 1.00 0.00 N ATOM 373 CA GLU A 24 66.037 -0.794 9.025 1.00 0.00 C ATOM 374 C GLU A 24 67.506 -0.901 9.439 1.00 0.00 C ATOM 375 O GLU A 24 68.307 -0.008 9.163 1.00 0.00 O ATOM 376 CB GLU A 24 65.156 -0.573 10.258 1.00 0.00 C ATOM 377 CG GLU A 24 65.646 0.653 11.029 1.00 0.00 C ATOM 378 CD GLU A 24 66.351 0.214 12.307 1.00 0.00 C ATOM 379 OE1 GLU A 24 65.750 0.330 13.363 1.00 0.00 O ATOM 380 OE2 GLU A 24 67.481 -0.238 12.213 1.00 0.00 O ATOM 0 H GLU A 24 64.941 -2.576 8.852 1.00 0.00 H new ATOM 0 HA GLU A 24 65.928 0.054 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.118 -0.433 9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.185 -1.454 10.900 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.328 1.235 10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.804 1.301 11.272 1.00 0.00 H new ATOM 387 N ASN A 25 67.850 -2.010 10.085 1.00 0.00 N ATOM 388 CA ASN A 25 69.222 -2.254 10.522 1.00 0.00 C ATOM 389 C ASN A 25 70.125 -2.530 9.323 1.00 0.00 C ATOM 390 O ASN A 25 71.246 -2.027 9.248 1.00 0.00 O ATOM 391 CB ASN A 25 69.259 -3.461 11.463 1.00 0.00 C ATOM 392 CG ASN A 25 69.897 -3.069 12.792 1.00 0.00 C ATOM 393 OD1 ASN A 25 69.332 -2.272 13.541 1.00 0.00 O ATOM 394 ND2 ASN A 25 71.046 -3.585 13.132 1.00 0.00 N ATOM 0 H ASN A 25 67.196 -2.757 10.319 1.00 0.00 H new ATOM 0 HA ASN A 25 69.580 -1.366 11.043 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.248 -3.832 11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 25 69.824 -4.272 11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 25 71.478 -3.328 14.020 1.00 0.00 H new ATOM 0 HD22 ASN A 25 71.513 -4.245 12.510 1.00 0.00 H new ATOM 401 N ALA A 26 69.633 -3.344 8.394 1.00 0.00 N ATOM 402 CA ALA A 26 70.404 -3.694 7.205 1.00 0.00 C ATOM 403 C ALA A 26 70.800 -2.444 6.426 1.00 0.00 C ATOM 404 O ALA A 26 71.921 -2.341 5.929 1.00 0.00 O ATOM 405 CB ALA A 26 69.584 -4.621 6.306 1.00 0.00 C ATOM 0 H ALA A 26 68.708 -3.772 8.441 1.00 0.00 H new ATOM 0 HA ALA A 26 71.312 -4.205 7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.166 -4.878 5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.334 -5.530 6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.667 -4.116 6.003 1.00 0.00 H new ATOM 411 N LYS A 27 69.875 -1.496 6.325 1.00 0.00 N ATOM 412 CA LYS A 27 70.145 -0.257 5.604 1.00 0.00 C ATOM 413 C LYS A 27 71.313 0.482 6.248 1.00 0.00 C ATOM 414 O LYS A 27 72.093 1.148 5.567 1.00 0.00 O ATOM 415 CB LYS A 27 68.903 0.640 5.620 1.00 0.00 C ATOM 416 CG LYS A 27 68.083 0.423 4.346 1.00 0.00 C ATOM 417 CD LYS A 27 66.866 1.351 4.360 1.00 0.00 C ATOM 418 CE LYS A 27 65.584 0.518 4.333 1.00 0.00 C ATOM 419 NZ LYS A 27 64.405 1.424 4.231 1.00 0.00 N ATOM 0 H LYS A 27 68.940 -1.560 6.729 1.00 0.00 H new ATOM 0 HA LYS A 27 70.400 -0.502 4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.294 0.417 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.201 1.686 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.696 0.623 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.761 -0.616 4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.885 1.978 5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.896 2.019 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 27 65.602 -0.169 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 27 65.513 -0.089 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 63.533 0.858 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 64.386 2.063 5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 64.472 1.984 3.358 1.00 0.00 H new ATOM 433 N ALA A 28 71.429 0.356 7.567 1.00 0.00 N ATOM 434 CA ALA A 28 72.506 1.013 8.298 1.00 0.00 C ATOM 435 C ALA A 28 73.848 0.359 7.983 1.00 0.00 C ATOM 436 O ALA A 28 74.866 1.039 7.851 1.00 0.00 O ATOM 437 CB ALA A 28 72.237 0.933 9.803 1.00 0.00 C ATOM 0 H ALA A 28 70.794 -0.192 8.148 1.00 0.00 H new ATOM 0 HA ALA A 28 72.545 2.058 7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.045 1.426 10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.293 1.428 10.031 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.181 -0.112 10.108 1.00 0.00 H new ATOM 443 N LYS A 29 73.841 -0.965 7.867 1.00 0.00 N ATOM 444 CA LYS A 29 75.064 -1.705 7.571 1.00 0.00 C ATOM 445 C LYS A 29 75.640 -1.279 6.223 1.00 0.00 C ATOM 446 O LYS A 29 76.847 -1.091 6.085 1.00 0.00 O ATOM 447 CB LYS A 29 74.772 -3.206 7.549 1.00 0.00 C ATOM 448 CG LYS A 29 75.385 -3.866 8.785 1.00 0.00 C ATOM 449 CD LYS A 29 74.956 -5.333 8.846 1.00 0.00 C ATOM 450 CE LYS A 29 75.751 -6.053 9.936 1.00 0.00 C ATOM 451 NZ LYS A 29 77.020 -6.580 9.358 1.00 0.00 N ATOM 0 H LYS A 29 73.009 -1.545 7.972 1.00 0.00 H new ATOM 0 HA LYS A 29 75.794 -1.486 8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 29 73.696 -3.377 7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.183 -3.653 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.472 -3.795 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 29 75.063 -3.344 9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.888 -5.402 9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.124 -5.812 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.969 -5.368 10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.161 -6.870 10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.719 -6.712 10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 76.837 -7.492 8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 77.391 -5.904 8.660 1.00 0.00 H new ATOM 465 N ILE A 30 74.766 -1.130 5.233 1.00 0.00 N ATOM 466 CA ILE A 30 75.199 -0.730 3.899 1.00 0.00 C ATOM 467 C ILE A 30 75.709 0.707 3.908 1.00 0.00 C ATOM 468 O ILE A 30 76.691 1.031 3.240 1.00 0.00 O ATOM 469 CB ILE A 30 74.039 -0.855 2.917 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.907 -2.321 2.492 1.00 0.00 C ATOM 471 CG2 ILE A 30 74.317 0.017 1.689 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.610 -2.520 1.711 1.00 0.00 C ATOM 0 H ILE A 30 73.761 -1.279 5.328 1.00 0.00 H new ATOM 0 HA ILE A 30 76.011 -1.388 3.588 1.00 0.00 H new ATOM 0 HB ILE A 30 73.113 -0.525 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.760 -2.609 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 30 73.915 -2.966 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.489 -0.071 0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.422 1.057 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 30 75.238 -0.314 1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.522 -3.564 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.762 -2.250 2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.619 -1.888 0.823 1.00 0.00 H new ATOM 484 N GLN A 31 75.033 1.564 4.665 1.00 0.00 N ATOM 485 CA GLN A 31 75.424 2.965 4.750 1.00 0.00 C ATOM 486 C GLN A 31 76.870 3.088 5.221 1.00 0.00 C ATOM 487 O GLN A 31 77.635 3.892 4.693 1.00 0.00 O ATOM 488 CB GLN A 31 74.500 3.707 5.720 1.00 0.00 C ATOM 489 CG GLN A 31 75.045 5.112 5.978 1.00 0.00 C ATOM 490 CD GLN A 31 75.845 5.131 7.277 1.00 0.00 C ATOM 491 OE1 GLN A 31 76.993 5.575 7.296 1.00 0.00 O ATOM 492 NE2 GLN A 31 75.300 4.676 8.373 1.00 0.00 N ATOM 0 H GLN A 31 74.217 1.315 5.225 1.00 0.00 H new ATOM 0 HA GLN A 31 75.339 3.410 3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.494 3.767 5.305 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.425 3.158 6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.678 5.424 5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 31 74.223 5.825 6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 31 74.349 4.309 8.355 1.00 0.00 H new ATOM 0 HE22 GLN A 31 75.826 4.688 9.247 1.00 0.00 H new ATOM 501 N ASP A 32 77.236 2.287 6.212 1.00 0.00 N ATOM 502 CA ASP A 32 78.594 2.322 6.744 1.00 0.00 C ATOM 503 C ASP A 32 79.594 1.809 5.709 1.00 0.00 C ATOM 504 O ASP A 32 80.800 2.021 5.841 1.00 0.00 O ATOM 505 CB ASP A 32 78.682 1.461 8.007 1.00 0.00 C ATOM 506 CG ASP A 32 79.968 0.642 7.989 1.00 0.00 C ATOM 507 OD1 ASP A 32 79.888 -0.545 7.723 1.00 0.00 O ATOM 508 OD2 ASP A 32 81.017 1.216 8.236 1.00 0.00 O ATOM 0 H ASP A 32 76.619 1.610 6.661 1.00 0.00 H new ATOM 0 HA ASP A 32 78.839 3.356 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.657 2.096 8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 32 77.819 0.798 8.066 1.00 0.00 H new ATOM 513 N LYS A 33 79.089 1.123 4.689 1.00 0.00 N ATOM 514 CA LYS A 33 79.954 0.573 3.648 1.00 0.00 C ATOM 515 C LYS A 33 80.060 1.513 2.448 1.00 0.00 C ATOM 516 O LYS A 33 81.145 1.700 1.897 1.00 0.00 O ATOM 517 CB LYS A 33 79.405 -0.777 3.181 1.00 0.00 C ATOM 518 CG LYS A 33 79.740 -1.860 4.210 1.00 0.00 C ATOM 519 CD LYS A 33 80.944 -2.669 3.723 1.00 0.00 C ATOM 520 CE LYS A 33 81.293 -3.739 4.760 1.00 0.00 C ATOM 521 NZ LYS A 33 82.747 -3.671 5.076 1.00 0.00 N ATOM 0 H LYS A 33 78.095 0.935 4.560 1.00 0.00 H new ATOM 0 HA LYS A 33 80.949 0.449 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.325 -0.713 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.833 -1.038 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.961 -1.404 5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.882 -2.516 4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.718 -3.136 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.798 -2.010 3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.706 -3.587 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.039 -4.728 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.983 -4.398 5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 83.299 -3.836 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 82.976 -2.731 5.458 1.00 0.00 H new ATOM 535 N GLU A 34 78.932 2.086 2.036 1.00 0.00 N ATOM 536 CA GLU A 34 78.922 2.983 0.883 1.00 0.00 C ATOM 537 C GLU A 34 78.827 4.446 1.310 1.00 0.00 C ATOM 538 O GLU A 34 79.224 5.343 0.566 1.00 0.00 O ATOM 539 CB GLU A 34 77.738 2.645 -0.026 1.00 0.00 C ATOM 540 CG GLU A 34 77.820 1.175 -0.446 1.00 0.00 C ATOM 541 CD GLU A 34 79.068 0.942 -1.290 1.00 0.00 C ATOM 542 OE1 GLU A 34 79.201 1.595 -2.311 1.00 0.00 O ATOM 543 OE2 GLU A 34 79.875 0.113 -0.901 1.00 0.00 O ATOM 0 H GLU A 34 78.023 1.948 2.477 1.00 0.00 H new ATOM 0 HA GLU A 34 79.860 2.844 0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.800 2.833 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 34 77.747 3.287 -0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 34 77.844 0.537 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 34 76.931 0.900 -1.013 1.00 0.00 H new ATOM 550 N GLY A 35 78.296 4.686 2.502 1.00 0.00 N ATOM 551 CA GLY A 35 78.154 6.053 2.996 1.00 0.00 C ATOM 552 C GLY A 35 76.795 6.623 2.606 1.00 0.00 C ATOM 553 O GLY A 35 76.496 7.787 2.875 1.00 0.00 O ATOM 0 H GLY A 35 77.960 3.964 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 35 78.263 6.067 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.948 6.678 2.587 1.00 0.00 H new ATOM 557 N ILE A 36 75.977 5.791 1.969 1.00 0.00 N ATOM 558 CA ILE A 36 74.649 6.214 1.539 1.00 0.00 C ATOM 559 C ILE A 36 73.673 6.180 2.726 1.00 0.00 C ATOM 560 O ILE A 36 73.459 5.116 3.309 1.00 0.00 O ATOM 561 CB ILE A 36 74.139 5.273 0.444 1.00 0.00 C ATOM 562 CG1 ILE A 36 75.176 5.185 -0.678 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.826 5.813 -0.125 1.00 0.00 C ATOM 564 CD1 ILE A 36 74.751 4.112 -1.682 1.00 0.00 C ATOM 0 H ILE A 36 76.209 4.824 1.740 1.00 0.00 H new ATOM 0 HA ILE A 36 74.712 7.231 1.153 1.00 0.00 H new ATOM 0 HB ILE A 36 73.973 4.283 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 36 75.270 6.149 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 36 76.155 4.944 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 36 72.464 5.142 -0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 36 72.084 5.878 0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.993 6.804 -0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 36 75.489 4.049 -2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 36 74.680 3.149 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.780 4.373 -2.104 1.00 0.00 H new ATOM 576 N PRO A 37 73.073 7.291 3.109 1.00 0.00 N ATOM 577 CA PRO A 37 72.119 7.308 4.253 1.00 0.00 C ATOM 578 C PRO A 37 71.149 6.122 4.199 1.00 0.00 C ATOM 579 O PRO A 37 70.851 5.614 3.116 1.00 0.00 O ATOM 580 CB PRO A 37 71.372 8.630 4.083 1.00 0.00 C ATOM 581 CG PRO A 37 72.319 9.530 3.364 1.00 0.00 C ATOM 582 CD PRO A 37 73.228 8.636 2.517 1.00 0.00 C ATOM 0 HA PRO A 37 72.625 7.224 5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 37 70.453 8.492 3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 37 71.089 9.048 5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 37 71.778 10.236 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 37 72.905 10.117 4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.930 8.646 1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 37 74.264 8.971 2.557 1.00 0.00 H new ATOM 590 N PRO A 38 70.649 5.668 5.326 1.00 0.00 N ATOM 591 CA PRO A 38 69.696 4.521 5.371 1.00 0.00 C ATOM 592 C PRO A 38 68.300 4.908 4.885 1.00 0.00 C ATOM 593 O PRO A 38 67.536 4.061 4.424 1.00 0.00 O ATOM 594 CB PRO A 38 69.666 4.134 6.850 1.00 0.00 C ATOM 595 CG PRO A 38 70.002 5.387 7.587 1.00 0.00 C ATOM 596 CD PRO A 38 70.932 6.191 6.677 1.00 0.00 C ATOM 0 HA PRO A 38 70.008 3.707 4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.685 3.758 7.139 1.00 0.00 H new ATOM 0 HB3 PRO A 38 70.386 3.345 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.101 5.954 7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.489 5.160 8.536 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.728 7.260 6.742 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.978 6.049 6.949 1.00 0.00 H new ATOM 604 N ASP A 39 67.974 6.191 5.001 1.00 0.00 N ATOM 605 CA ASP A 39 66.665 6.678 4.578 1.00 0.00 C ATOM 606 C ASP A 39 66.590 6.796 3.057 1.00 0.00 C ATOM 607 O ASP A 39 65.507 6.741 2.477 1.00 0.00 O ATOM 608 CB ASP A 39 66.392 8.043 5.211 1.00 0.00 C ATOM 609 CG ASP A 39 64.934 8.436 4.998 1.00 0.00 C ATOM 610 OD1 ASP A 39 64.297 8.816 5.968 1.00 0.00 O ATOM 611 OD2 ASP A 39 64.476 8.357 3.871 1.00 0.00 O ATOM 0 H ASP A 39 68.592 6.908 5.381 1.00 0.00 H new ATOM 0 HA ASP A 39 65.912 5.962 4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 39 66.616 8.010 6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.048 8.794 4.771 1.00 0.00 H new ATOM 616 N GLN A 40 67.743 6.962 2.420 1.00 0.00 N ATOM 617 CA GLN A 40 67.789 7.092 0.967 1.00 0.00 C ATOM 618 C GLN A 40 68.057 5.743 0.307 1.00 0.00 C ATOM 619 O GLN A 40 68.312 5.674 -0.896 1.00 0.00 O ATOM 620 CB GLN A 40 68.881 8.084 0.564 1.00 0.00 C ATOM 621 CG GLN A 40 68.270 9.478 0.399 1.00 0.00 C ATOM 622 CD GLN A 40 69.370 10.503 0.144 1.00 0.00 C ATOM 623 OE1 GLN A 40 69.570 10.931 -0.992 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.098 10.925 1.142 1.00 0.00 N ATOM 0 H GLN A 40 68.652 7.010 2.881 1.00 0.00 H new ATOM 0 HA GLN A 40 66.820 7.459 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.664 8.106 1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.348 7.768 -0.369 1.00 0.00 H new ATOM 0 HG2 GLN A 40 67.562 9.478 -0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 40 67.711 9.747 1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 40 69.930 10.568 2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.835 11.611 0.981 1.00 0.00 H new ATOM 633 N GLN A 41 67.999 4.676 1.100 1.00 0.00 N ATOM 634 CA GLN A 41 68.241 3.334 0.580 1.00 0.00 C ATOM 635 C GLN A 41 66.938 2.543 0.491 1.00 0.00 C ATOM 636 O GLN A 41 66.083 2.635 1.372 1.00 0.00 O ATOM 637 CB GLN A 41 69.223 2.591 1.487 1.00 0.00 C ATOM 638 CG GLN A 41 70.654 2.991 1.131 1.00 0.00 C ATOM 639 CD GLN A 41 71.636 2.280 2.054 1.00 0.00 C ATOM 640 OE1 GLN A 41 71.512 1.078 2.286 1.00 0.00 O ATOM 641 NE2 GLN A 41 72.611 2.955 2.601 1.00 0.00 N ATOM 0 H GLN A 41 67.788 4.714 2.097 1.00 0.00 H new ATOM 0 HA GLN A 41 68.664 3.429 -0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 41 69.018 2.826 2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.096 1.514 1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.865 2.734 0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.772 4.071 1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 41 72.713 3.951 2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 41 73.271 2.486 3.221 1.00 0.00 H new ATOM 650 N ARG A 42 66.801 1.761 -0.577 1.00 0.00 N ATOM 651 CA ARG A 42 65.607 0.946 -0.775 1.00 0.00 C ATOM 652 C ARG A 42 66.002 -0.482 -1.135 1.00 0.00 C ATOM 653 O ARG A 42 66.697 -0.712 -2.125 1.00 0.00 O ATOM 654 CB ARG A 42 64.745 1.539 -1.892 1.00 0.00 C ATOM 655 CG ARG A 42 63.555 2.282 -1.281 1.00 0.00 C ATOM 656 CD ARG A 42 62.698 2.871 -2.401 1.00 0.00 C ATOM 657 NE ARG A 42 61.834 3.922 -1.878 1.00 0.00 N ATOM 658 CZ ARG A 42 60.795 4.367 -2.577 1.00 0.00 C ATOM 659 NH1 ARG A 42 60.036 5.310 -2.090 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.535 3.862 -3.752 1.00 0.00 N ATOM 0 H ARG A 42 67.499 1.675 -1.315 1.00 0.00 H new ATOM 0 HA ARG A 42 65.033 0.935 0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.339 2.221 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 42 64.392 0.747 -2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 42 62.960 1.601 -0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.907 3.075 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.339 3.274 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.093 2.087 -2.856 1.00 0.00 H new ATOM 0 HE ARG A 42 62.030 4.322 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 42 60.240 5.706 -1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 42 59.239 5.651 -2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.129 3.126 -4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.738 4.203 -4.289 1.00 0.00 H new ATOM 674 N LEU A 43 65.564 -1.438 -0.324 1.00 0.00 N ATOM 675 CA LEU A 43 65.886 -2.840 -0.567 1.00 0.00 C ATOM 676 C LEU A 43 64.768 -3.523 -1.347 1.00 0.00 C ATOM 677 O LEU A 43 63.615 -3.535 -0.916 1.00 0.00 O ATOM 678 CB LEU A 43 66.097 -3.570 0.766 1.00 0.00 C ATOM 679 CG LEU A 43 67.483 -3.242 1.341 1.00 0.00 C ATOM 680 CD1 LEU A 43 68.586 -3.829 0.452 1.00 0.00 C ATOM 681 CD2 LEU A 43 67.656 -1.725 1.420 1.00 0.00 C ATOM 0 H LEU A 43 64.989 -1.271 0.502 1.00 0.00 H new ATOM 0 HA LEU A 43 66.803 -2.882 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.323 -3.277 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.003 -4.646 0.618 1.00 0.00 H new ATOM 0 HG LEU A 43 67.560 -3.679 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 43 69.561 -3.587 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 43 68.472 -4.912 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 43 68.509 -3.406 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 43 68.639 -1.492 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 43 67.566 -1.296 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 43 66.886 -1.304 2.066 1.00 0.00 H new ATOM 693 N ILE A 44 65.123 -4.092 -2.496 1.00 0.00 N ATOM 694 CA ILE A 44 64.153 -4.783 -3.340 1.00 0.00 C ATOM 695 C ILE A 44 64.554 -6.247 -3.505 1.00 0.00 C ATOM 696 O ILE A 44 65.733 -6.561 -3.668 1.00 0.00 O ATOM 697 CB ILE A 44 64.077 -4.109 -4.716 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.095 -2.931 -4.663 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.591 -5.116 -5.761 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.580 -1.890 -3.650 1.00 0.00 C ATOM 0 H ILE A 44 66.074 -4.088 -2.864 1.00 0.00 H new ATOM 0 HA ILE A 44 63.174 -4.732 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 44 65.069 -3.749 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 44 63.006 -2.476 -5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 44 62.103 -3.286 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.539 -4.632 -6.736 1.00 0.00 H new ATOM 0 HG22 ILE A 44 64.286 -5.955 -5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.602 -5.480 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.877 -1.057 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.646 -2.346 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.563 -1.524 -3.947 1.00 0.00 H new ATOM 712 N PHE A 45 63.567 -7.135 -3.459 1.00 0.00 N ATOM 713 CA PHE A 45 63.833 -8.563 -3.605 1.00 0.00 C ATOM 714 C PHE A 45 62.651 -9.264 -4.263 1.00 0.00 C ATOM 715 O PHE A 45 61.494 -8.919 -4.015 1.00 0.00 O ATOM 716 CB PHE A 45 64.101 -9.183 -2.233 1.00 0.00 C ATOM 717 CG PHE A 45 64.404 -10.655 -2.393 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.409 -11.606 -2.137 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.680 -11.066 -2.796 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.690 -12.969 -2.285 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.962 -12.430 -2.942 1.00 0.00 C ATOM 722 CZ PHE A 45 64.968 -13.381 -2.686 1.00 0.00 C ATOM 0 H PHE A 45 62.585 -6.896 -3.323 1.00 0.00 H new ATOM 0 HA PHE A 45 64.711 -8.689 -4.239 1.00 0.00 H new ATOM 0 HB2 PHE A 45 64.939 -8.679 -1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.234 -9.048 -1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.425 -11.288 -1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.447 -10.332 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 45 62.922 -13.703 -2.090 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.946 -12.748 -3.252 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.186 -14.433 -2.797 1.00 0.00 H new ATOM 732 N ALA A 46 62.947 -10.249 -5.105 1.00 0.00 N ATOM 733 CA ALA A 46 61.899 -10.992 -5.793 1.00 0.00 C ATOM 734 C ALA A 46 60.937 -10.037 -6.494 1.00 0.00 C ATOM 735 O ALA A 46 59.764 -10.355 -6.693 1.00 0.00 O ATOM 736 CB ALA A 46 61.126 -11.855 -4.794 1.00 0.00 C ATOM 0 H ALA A 46 63.897 -10.549 -5.326 1.00 0.00 H new ATOM 0 HA ALA A 46 62.366 -11.633 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.345 -12.406 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.808 -12.558 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.673 -11.216 -4.036 1.00 0.00 H new ATOM 742 N GLY A 47 61.442 -8.865 -6.865 1.00 0.00 N ATOM 743 CA GLY A 47 60.619 -7.870 -7.543 1.00 0.00 C ATOM 744 C GLY A 47 59.710 -7.150 -6.554 1.00 0.00 C ATOM 745 O GLY A 47 59.034 -6.183 -6.906 1.00 0.00 O ATOM 0 H GLY A 47 62.410 -8.582 -6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.259 -7.146 -8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 47 60.016 -8.354 -8.312 1.00 0.00 H new ATOM 749 N LYS A 48 59.698 -7.627 -5.312 1.00 0.00 N ATOM 750 CA LYS A 48 58.867 -7.022 -4.279 1.00 0.00 C ATOM 751 C LYS A 48 59.689 -6.067 -3.419 1.00 0.00 C ATOM 752 O LYS A 48 60.855 -6.328 -3.125 1.00 0.00 O ATOM 753 CB LYS A 48 58.259 -8.111 -3.393 1.00 0.00 C ATOM 754 CG LYS A 48 56.732 -7.999 -3.416 1.00 0.00 C ATOM 755 CD LYS A 48 56.130 -8.982 -2.409 1.00 0.00 C ATOM 756 CE LYS A 48 56.540 -10.410 -2.776 1.00 0.00 C ATOM 757 NZ LYS A 48 57.849 -10.730 -2.141 1.00 0.00 N ATOM 0 H LYS A 48 60.251 -8.425 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 48 58.069 -6.461 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 48 58.567 -9.095 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.626 -8.010 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 48 56.428 -6.981 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 48 56.357 -8.212 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.472 -8.742 -1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.044 -8.895 -2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 48 55.779 -11.115 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 48 56.615 -10.511 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 58.570 -10.860 -2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 58.131 -9.949 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 57.761 -11.605 -1.585 1.00 0.00 H new ATOM 771 N GLN A 49 59.072 -4.960 -3.016 1.00 0.00 N ATOM 772 CA GLN A 49 59.757 -3.975 -2.187 1.00 0.00 C ATOM 773 C GLN A 49 59.642 -4.346 -0.713 1.00 0.00 C ATOM 774 O GLN A 49 58.567 -4.716 -0.238 1.00 0.00 O ATOM 775 CB GLN A 49 59.150 -2.589 -2.416 1.00 0.00 C ATOM 776 CG GLN A 49 59.807 -1.582 -1.470 1.00 0.00 C ATOM 777 CD GLN A 49 60.059 -0.267 -2.201 1.00 0.00 C ATOM 778 OE1 GLN A 49 61.116 -0.087 -2.808 1.00 0.00 O ATOM 779 NE2 GLN A 49 59.150 0.667 -2.177 1.00 0.00 N ATOM 0 H GLN A 49 58.107 -4.724 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 49 60.811 -3.960 -2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.298 -2.282 -3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.074 -2.618 -2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 49 59.165 -1.410 -0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.747 -1.984 -1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 49 58.276 0.515 -1.674 1.00 0.00 H new ATOM 0 HE22 GLN A 49 59.313 1.550 -2.662 1.00 0.00 H new ATOM 788 N LEU A 50 60.754 -4.247 0.007 1.00 0.00 N ATOM 789 CA LEU A 50 60.763 -4.577 1.428 1.00 0.00 C ATOM 790 C LEU A 50 60.432 -3.350 2.270 1.00 0.00 C ATOM 791 O LEU A 50 61.064 -2.302 2.136 1.00 0.00 O ATOM 792 CB LEU A 50 62.137 -5.117 1.831 1.00 0.00 C ATOM 793 CG LEU A 50 62.621 -6.126 0.786 1.00 0.00 C ATOM 794 CD1 LEU A 50 63.902 -6.797 1.280 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.542 -7.189 0.567 1.00 0.00 C ATOM 0 H LEU A 50 61.654 -3.944 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 50 60.005 -5.339 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 50 62.850 -4.297 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.079 -5.592 2.810 1.00 0.00 H new ATOM 0 HG LEU A 50 62.820 -5.609 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.247 -7.515 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.671 -6.041 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.703 -7.314 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.885 -7.908 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.344 -7.705 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.627 -6.712 0.215 1.00 0.00 H new ATOM 807 N GLU A 51 59.438 -3.490 3.142 1.00 0.00 N ATOM 808 CA GLU A 51 59.031 -2.389 4.008 1.00 0.00 C ATOM 809 C GLU A 51 59.858 -2.386 5.285 1.00 0.00 C ATOM 810 O GLU A 51 60.315 -3.433 5.742 1.00 0.00 O ATOM 811 CB GLU A 51 57.547 -2.522 4.360 1.00 0.00 C ATOM 812 CG GLU A 51 56.694 -2.091 3.166 1.00 0.00 C ATOM 813 CD GLU A 51 56.940 -3.019 1.982 1.00 0.00 C ATOM 814 OE1 GLU A 51 57.091 -2.514 0.882 1.00 0.00 O ATOM 815 OE2 GLU A 51 56.968 -4.220 2.192 1.00 0.00 O ATOM 0 H GLU A 51 58.903 -4.349 3.267 1.00 0.00 H new ATOM 0 HA GLU A 51 59.195 -1.451 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.318 -3.553 4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.313 -1.906 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 51 55.639 -2.109 3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 51 56.935 -1.065 2.889 1.00 0.00 H new ATOM 822 N ASP A 52 60.048 -1.203 5.859 1.00 0.00 N ATOM 823 CA ASP A 52 60.822 -1.082 7.084 1.00 0.00 C ATOM 824 C ASP A 52 60.021 -1.600 8.274 1.00 0.00 C ATOM 825 O ASP A 52 58.982 -1.040 8.625 1.00 0.00 O ATOM 826 CB ASP A 52 61.206 0.380 7.317 1.00 0.00 C ATOM 827 CG ASP A 52 60.615 1.260 6.221 1.00 0.00 C ATOM 828 OD1 ASP A 52 59.855 2.156 6.552 1.00 0.00 O ATOM 829 OD2 ASP A 52 60.924 1.020 5.067 1.00 0.00 O ATOM 0 H ASP A 52 59.680 -0.323 5.498 1.00 0.00 H new ATOM 0 HA ASP A 52 61.727 -1.680 6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 52 60.844 0.708 8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.291 0.481 7.329 1.00 0.00 H new ATOM 834 N GLY A 53 60.508 -2.673 8.890 1.00 0.00 N ATOM 835 CA GLY A 53 59.824 -3.258 10.039 1.00 0.00 C ATOM 836 C GLY A 53 59.952 -4.779 10.038 1.00 0.00 C ATOM 837 O GLY A 53 60.085 -5.400 11.094 1.00 0.00 O ATOM 0 H GLY A 53 61.366 -3.152 8.616 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.244 -2.855 10.960 1.00 0.00 H new ATOM 0 HA3 GLY A 53 58.771 -2.978 10.020 1.00 0.00 H new ATOM 841 N ARG A 54 59.916 -5.373 8.849 1.00 0.00 N ATOM 842 CA ARG A 54 60.036 -6.822 8.728 1.00 0.00 C ATOM 843 C ARG A 54 61.503 -7.219 8.779 1.00 0.00 C ATOM 844 O ARG A 54 62.371 -6.424 8.423 1.00 0.00 O ATOM 845 CB ARG A 54 59.428 -7.296 7.407 1.00 0.00 C ATOM 846 CG ARG A 54 58.290 -6.360 6.993 1.00 0.00 C ATOM 847 CD ARG A 54 57.280 -6.253 8.134 1.00 0.00 C ATOM 848 NE ARG A 54 55.933 -6.063 7.605 1.00 0.00 N ATOM 849 CZ ARG A 54 54.988 -5.474 8.331 1.00 0.00 C ATOM 850 NH1 ARG A 54 53.796 -5.299 7.831 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.254 -5.071 9.543 1.00 0.00 N ATOM 0 H ARG A 54 59.806 -4.879 7.963 1.00 0.00 H new ATOM 0 HA ARG A 54 59.500 -7.289 9.554 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.193 -7.318 6.631 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.053 -8.314 7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.686 -5.374 6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 54 57.802 -6.738 6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.314 -7.156 8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.543 -5.419 8.784 1.00 0.00 H new ATOM 0 HE ARG A 54 55.713 -6.387 6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.589 -5.614 6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.071 -4.847 8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.187 -5.208 9.933 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.529 -4.619 10.101 1.00 0.00 H new ATOM 865 N THR A 55 61.782 -8.440 9.234 1.00 0.00 N ATOM 866 CA THR A 55 63.165 -8.894 9.332 1.00 0.00 C ATOM 867 C THR A 55 63.540 -9.848 8.216 1.00 0.00 C ATOM 868 O THR A 55 62.684 -10.356 7.492 1.00 0.00 O ATOM 869 CB THR A 55 63.419 -9.548 10.687 1.00 0.00 C ATOM 870 OG1 THR A 55 62.684 -10.760 10.783 1.00 0.00 O ATOM 871 CG2 THR A 55 62.980 -8.584 11.780 1.00 0.00 C ATOM 0 H THR A 55 61.083 -9.119 9.535 1.00 0.00 H new ATOM 0 HA THR A 55 63.796 -8.011 9.232 1.00 0.00 H new ATOM 0 HB THR A 55 64.479 -9.776 10.799 1.00 0.00 H new ATOM 0 HG1 THR A 55 63.305 -11.518 10.814 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.155 -9.037 12.756 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.552 -7.659 11.701 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.918 -8.365 11.667 1.00 0.00 H new ATOM 879 N LEU A 56 64.842 -10.072 8.084 1.00 0.00 N ATOM 880 CA LEU A 56 65.353 -10.955 7.055 1.00 0.00 C ATOM 881 C LEU A 56 64.717 -12.334 7.195 1.00 0.00 C ATOM 882 O LEU A 56 64.462 -13.018 6.205 1.00 0.00 O ATOM 883 CB LEU A 56 66.880 -11.088 7.189 1.00 0.00 C ATOM 884 CG LEU A 56 67.574 -9.728 7.003 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.090 -9.933 6.997 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.167 -9.089 5.675 1.00 0.00 C ATOM 0 H LEU A 56 65.558 -9.653 8.678 1.00 0.00 H new ATOM 0 HA LEU A 56 65.108 -10.536 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.128 -11.495 8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.253 -11.794 6.447 1.00 0.00 H new ATOM 0 HG LEU A 56 67.276 -9.074 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.587 -8.972 6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.401 -10.376 7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.364 -10.598 6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.670 -8.128 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.453 -9.745 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.088 -8.938 5.660 1.00 0.00 H new ATOM 898 N SER A 57 64.462 -12.733 8.439 1.00 0.00 N ATOM 899 CA SER A 57 63.855 -14.034 8.704 1.00 0.00 C ATOM 900 C SER A 57 62.389 -14.049 8.276 1.00 0.00 C ATOM 901 O SER A 57 61.843 -15.100 7.942 1.00 0.00 O ATOM 902 CB SER A 57 63.952 -14.359 10.194 1.00 0.00 C ATOM 903 OG SER A 57 64.413 -13.212 10.896 1.00 0.00 O ATOM 0 H SER A 57 64.664 -12.180 9.272 1.00 0.00 H new ATOM 0 HA SER A 57 64.395 -14.785 8.127 1.00 0.00 H new ATOM 0 HB2 SER A 57 62.978 -14.666 10.575 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.634 -15.195 10.352 1.00 0.00 H new ATOM 0 HG SER A 57 64.044 -13.214 11.804 1.00 0.00 H new ATOM 909 N ASP A 58 61.756 -12.880 8.299 1.00 0.00 N ATOM 910 CA ASP A 58 60.350 -12.775 7.921 1.00 0.00 C ATOM 911 C ASP A 58 60.176 -12.892 6.409 1.00 0.00 C ATOM 912 O ASP A 58 59.176 -13.428 5.932 1.00 0.00 O ATOM 913 CB ASP A 58 59.785 -11.435 8.391 1.00 0.00 C ATOM 914 CG ASP A 58 60.020 -11.258 9.887 1.00 0.00 C ATOM 915 OD1 ASP A 58 59.725 -10.186 10.389 1.00 0.00 O ATOM 916 OD2 ASP A 58 60.492 -12.197 10.509 1.00 0.00 O ATOM 0 H ASP A 58 62.190 -11.998 8.573 1.00 0.00 H new ATOM 0 HA ASP A 58 59.811 -13.594 8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.258 -10.620 7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.718 -11.387 8.175 1.00 0.00 H new ATOM 921 N TYR A 59 61.151 -12.388 5.660 1.00 0.00 N ATOM 922 CA TYR A 59 61.087 -12.444 4.204 1.00 0.00 C ATOM 923 C TYR A 59 61.730 -13.728 3.694 1.00 0.00 C ATOM 924 O TYR A 59 62.044 -13.853 2.511 1.00 0.00 O ATOM 925 CB TYR A 59 61.805 -11.234 3.602 1.00 0.00 C ATOM 926 CG TYR A 59 60.812 -10.122 3.352 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.795 -10.292 2.404 1.00 0.00 C ATOM 928 CD2 TYR A 59 60.909 -8.922 4.067 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.877 -9.262 2.171 1.00 0.00 C ATOM 930 CE2 TYR A 59 59.989 -7.891 3.834 1.00 0.00 C ATOM 931 CZ TYR A 59 58.973 -8.061 2.886 1.00 0.00 C ATOM 932 OH TYR A 59 58.068 -7.046 2.657 1.00 0.00 O ATOM 0 H TYR A 59 61.988 -11.940 6.033 1.00 0.00 H new ATOM 0 HA TYR A 59 60.040 -12.429 3.901 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.587 -10.890 4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.292 -11.516 2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.719 -11.218 1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.693 -8.791 4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 59 58.094 -9.393 1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.064 -6.966 4.386 1.00 0.00 H new ATOM 0 HH TYR A 59 58.277 -6.284 3.237 1.00 0.00 H new ATOM 942 N ASN A 60 61.926 -14.679 4.600 1.00 0.00 N ATOM 943 CA ASN A 60 62.537 -15.952 4.237 1.00 0.00 C ATOM 944 C ASN A 60 63.738 -15.722 3.327 1.00 0.00 C ATOM 945 O ASN A 60 63.817 -16.274 2.229 1.00 0.00 O ATOM 946 CB ASN A 60 61.514 -16.843 3.531 1.00 0.00 C ATOM 947 CG ASN A 60 60.581 -17.475 4.559 1.00 0.00 C ATOM 948 OD1 ASN A 60 60.078 -18.579 4.350 1.00 0.00 O ATOM 949 ND2 ASN A 60 60.325 -16.838 5.669 1.00 0.00 N ATOM 0 H ASN A 60 61.673 -14.594 5.584 1.00 0.00 H new ATOM 0 HA ASN A 60 62.874 -16.448 5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.938 -16.255 2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 60 62.026 -17.621 2.964 1.00 0.00 H new ATOM 0 HD21 ASN A 60 59.707 -17.255 6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 60 60.743 -15.923 5.840 1.00 0.00 H new ATOM 956 N ILE A 61 64.668 -14.896 3.794 1.00 0.00 N ATOM 957 CA ILE A 61 65.867 -14.585 3.023 1.00 0.00 C ATOM 958 C ILE A 61 66.950 -15.631 3.275 1.00 0.00 C ATOM 959 O ILE A 61 67.169 -16.054 4.410 1.00 0.00 O ATOM 960 CB ILE A 61 66.363 -13.188 3.410 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.193 -12.195 3.219 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.577 -12.804 2.548 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.602 -10.976 2.379 1.00 0.00 C ATOM 0 H ILE A 61 64.615 -14.431 4.700 1.00 0.00 H new ATOM 0 HA ILE A 61 65.629 -14.600 1.959 1.00 0.00 H new ATOM 0 HB ILE A 61 66.686 -13.166 4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.360 -12.705 2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.839 -11.861 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.923 -11.810 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 61 68.378 -13.526 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.291 -12.804 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.749 -10.306 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 61 66.417 -10.449 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 61 65.931 -11.307 1.394 1.00 0.00 H new ATOM 975 N GLN A 62 67.617 -16.049 2.203 1.00 0.00 N ATOM 976 CA GLN A 62 68.672 -17.054 2.309 1.00 0.00 C ATOM 977 C GLN A 62 70.028 -16.389 2.516 1.00 0.00 C ATOM 978 O GLN A 62 70.116 -15.169 2.636 1.00 0.00 O ATOM 979 CB GLN A 62 68.708 -17.907 1.039 1.00 0.00 C ATOM 980 CG GLN A 62 67.300 -18.416 0.725 1.00 0.00 C ATOM 981 CD GLN A 62 66.564 -17.406 -0.150 1.00 0.00 C ATOM 982 OE1 GLN A 62 65.736 -16.642 0.345 1.00 0.00 O ATOM 983 NE2 GLN A 62 66.817 -17.358 -1.429 1.00 0.00 N ATOM 0 H GLN A 62 67.448 -15.710 1.256 1.00 0.00 H new ATOM 0 HA GLN A 62 68.458 -17.689 3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.088 -17.319 0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.389 -18.748 1.172 1.00 0.00 H new ATOM 0 HG2 GLN A 62 67.357 -19.378 0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.748 -18.578 1.651 1.00 0.00 H new ATOM 0 HE21 GLN A 62 67.504 -17.992 -1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 62 66.328 -16.686 -2.021 1.00 0.00 H new ATOM 992 N LYS A 63 71.082 -17.202 2.563 1.00 0.00 N ATOM 993 CA LYS A 63 72.432 -16.682 2.763 1.00 0.00 C ATOM 994 C LYS A 63 73.084 -16.343 1.432 1.00 0.00 C ATOM 995 O LYS A 63 74.264 -15.998 1.366 1.00 0.00 O ATOM 996 CB LYS A 63 73.286 -17.726 3.476 1.00 0.00 C ATOM 997 CG LYS A 63 73.106 -19.083 2.794 1.00 0.00 C ATOM 998 CD LYS A 63 74.325 -19.964 3.079 1.00 0.00 C ATOM 999 CE LYS A 63 74.503 -20.118 4.590 1.00 0.00 C ATOM 1000 NZ LYS A 63 75.416 -21.262 4.869 1.00 0.00 N ATOM 0 H LYS A 63 71.028 -18.216 2.466 1.00 0.00 H new ATOM 0 HA LYS A 63 72.361 -15.777 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 63 74.335 -17.431 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.997 -17.793 4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.200 -19.568 3.159 1.00 0.00 H new ATOM 0 HG3 LYS A 63 72.985 -18.948 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 63 74.196 -20.942 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 63 75.218 -19.519 2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 63 74.912 -19.201 5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 63 73.537 -20.286 5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 75.537 -21.367 5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 75.008 -22.135 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 76.341 -21.084 4.428 1.00 0.00 H new ATOM 1014 N GLU A 64 72.305 -16.461 0.384 1.00 0.00 N ATOM 1015 CA GLU A 64 72.776 -16.183 -0.955 1.00 0.00 C ATOM 1016 C GLU A 64 71.855 -15.179 -1.635 1.00 0.00 C ATOM 1017 O GLU A 64 72.172 -14.637 -2.694 1.00 0.00 O ATOM 1018 CB GLU A 64 72.817 -17.489 -1.751 1.00 0.00 C ATOM 1019 CG GLU A 64 74.250 -18.029 -1.818 1.00 0.00 C ATOM 1020 CD GLU A 64 75.003 -17.360 -2.962 1.00 0.00 C ATOM 1021 OE1 GLU A 64 75.917 -17.975 -3.486 1.00 0.00 O ATOM 1022 OE2 GLU A 64 74.644 -16.246 -3.308 1.00 0.00 O ATOM 0 H GLU A 64 71.329 -16.752 0.433 1.00 0.00 H new ATOM 0 HA GLU A 64 73.777 -15.755 -0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.165 -18.227 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.438 -17.320 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 64 74.763 -17.842 -0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 64 74.235 -19.109 -1.964 1.00 0.00 H new ATOM 1029 N SER A 65 70.702 -14.953 -1.016 1.00 0.00 N ATOM 1030 CA SER A 65 69.712 -14.031 -1.557 1.00 0.00 C ATOM 1031 C SER A 65 70.371 -12.779 -2.120 1.00 0.00 C ATOM 1032 O SER A 65 71.198 -12.146 -1.464 1.00 0.00 O ATOM 1033 CB SER A 65 68.721 -13.637 -0.463 1.00 0.00 C ATOM 1034 OG SER A 65 67.398 -13.906 -0.908 1.00 0.00 O ATOM 0 H SER A 65 70.430 -15.396 -0.138 1.00 0.00 H new ATOM 0 HA SER A 65 69.188 -14.537 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 65 68.930 -14.194 0.450 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.828 -12.579 -0.223 1.00 0.00 H new ATOM 0 HG SER A 65 67.049 -13.125 -1.386 1.00 0.00 H new ATOM 1040 N THR A 66 69.978 -12.419 -3.336 1.00 0.00 N ATOM 1041 CA THR A 66 70.512 -11.229 -3.984 1.00 0.00 C ATOM 1042 C THR A 66 69.521 -10.081 -3.831 1.00 0.00 C ATOM 1043 O THR A 66 68.402 -10.147 -4.339 1.00 0.00 O ATOM 1044 CB THR A 66 70.757 -11.506 -5.469 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.488 -12.716 -5.609 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.553 -10.352 -6.083 1.00 0.00 C ATOM 0 H THR A 66 69.294 -12.933 -3.891 1.00 0.00 H new ATOM 0 HA THR A 66 71.458 -10.959 -3.515 1.00 0.00 H new ATOM 0 HB THR A 66 69.801 -11.597 -5.984 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.644 -12.896 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.726 -10.552 -7.140 1.00 0.00 H new ATOM 0 HG22 THR A 66 70.990 -9.425 -5.976 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.510 -10.257 -5.570 1.00 0.00 H new ATOM 1054 N LEU A 67 69.928 -9.040 -3.113 1.00 0.00 N ATOM 1055 CA LEU A 67 69.051 -7.895 -2.885 1.00 0.00 C ATOM 1056 C LEU A 67 69.447 -6.722 -3.770 1.00 0.00 C ATOM 1057 O LEU A 67 70.626 -6.391 -3.891 1.00 0.00 O ATOM 1058 CB LEU A 67 69.122 -7.470 -1.417 1.00 0.00 C ATOM 1059 CG LEU A 67 68.823 -8.669 -0.516 1.00 0.00 C ATOM 1060 CD1 LEU A 67 70.001 -8.904 0.429 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.560 -8.386 0.302 1.00 0.00 C ATOM 0 H LEU A 67 70.850 -8.964 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 67 68.032 -8.192 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.111 -7.072 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 67 68.405 -6.671 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 67 68.669 -9.557 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 67 69.788 -9.759 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.901 -9.103 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 67 70.156 -8.018 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 67 67.344 -9.239 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.715 -7.499 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.720 -8.218 -0.372 1.00 0.00 H new ATOM 1073 N HIS A 68 68.451 -6.091 -4.381 1.00 0.00 N ATOM 1074 CA HIS A 68 68.700 -4.947 -5.247 1.00 0.00 C ATOM 1075 C HIS A 68 68.503 -3.650 -4.471 1.00 0.00 C ATOM 1076 O HIS A 68 67.450 -3.426 -3.875 1.00 0.00 O ATOM 1077 CB HIS A 68 67.750 -4.982 -6.445 1.00 0.00 C ATOM 1078 CG HIS A 68 68.050 -6.191 -7.286 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.589 -7.455 -6.954 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.769 -6.348 -8.444 1.00 0.00 C ATOM 1081 CE1 HIS A 68 68.029 -8.310 -7.895 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.755 -7.687 -8.827 1.00 0.00 N ATOM 0 H HIS A 68 67.469 -6.351 -4.293 1.00 0.00 H new ATOM 0 HA HIS A 68 69.729 -4.994 -5.605 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.716 -5.012 -6.102 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.863 -4.075 -7.039 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.270 -5.554 -8.978 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.821 -9.370 -7.897 1.00 0.00 H new ATOM 0 HE2 HIS A 68 69.203 -8.103 -9.644 1.00 0.00 H new ATOM 1090 N LEU A 69 69.525 -2.803 -4.477 1.00 0.00 N ATOM 1091 CA LEU A 69 69.455 -1.536 -3.763 1.00 0.00 C ATOM 1092 C LEU A 69 69.086 -0.405 -4.714 1.00 0.00 C ATOM 1093 O LEU A 69 69.790 -0.150 -5.693 1.00 0.00 O ATOM 1094 CB LEU A 69 70.805 -1.241 -3.097 1.00 0.00 C ATOM 1095 CG LEU A 69 70.672 -0.063 -2.116 1.00 0.00 C ATOM 1096 CD1 LEU A 69 71.923 0.024 -1.240 1.00 0.00 C ATOM 1097 CD2 LEU A 69 70.501 1.264 -2.869 1.00 0.00 C ATOM 0 H LEU A 69 70.405 -2.969 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 69 68.683 -1.609 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.158 -2.126 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 69 71.550 -1.007 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 69 69.791 -0.236 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 69 71.824 0.859 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 69 72.038 -0.902 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 69 72.799 0.177 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 69 70.409 2.080 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 69 71.369 1.436 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 69 69.603 1.220 -3.485 1.00 0.00 H new ATOM 1109 N VAL A 70 67.980 0.271 -4.413 1.00 0.00 N ATOM 1110 CA VAL A 70 67.522 1.381 -5.237 1.00 0.00 C ATOM 1111 C VAL A 70 67.660 2.699 -4.483 1.00 0.00 C ATOM 1112 O VAL A 70 67.487 2.751 -3.267 1.00 0.00 O ATOM 1113 CB VAL A 70 66.061 1.170 -5.635 1.00 0.00 C ATOM 1114 CG1 VAL A 70 65.730 2.044 -6.847 1.00 0.00 C ATOM 1115 CG2 VAL A 70 65.837 -0.300 -5.994 1.00 0.00 C ATOM 0 H VAL A 70 67.388 0.069 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 70 68.140 1.421 -6.134 1.00 0.00 H new ATOM 0 HB VAL A 70 65.415 1.444 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 70 64.688 1.893 -7.131 1.00 0.00 H new ATOM 0 HG12 VAL A 70 65.889 3.092 -6.594 1.00 0.00 H new ATOM 0 HG13 VAL A 70 66.376 1.770 -7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 70 64.795 -0.451 -6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 70 66.483 -0.573 -6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.072 -0.925 -5.132 1.00 0.00 H new ATOM 1125 N LEU A 71 67.975 3.761 -5.216 1.00 0.00 N ATOM 1126 CA LEU A 71 68.135 5.077 -4.608 1.00 0.00 C ATOM 1127 C LEU A 71 66.911 5.945 -4.879 1.00 0.00 C ATOM 1128 O LEU A 71 66.630 6.301 -6.022 1.00 0.00 O ATOM 1129 CB LEU A 71 69.384 5.763 -5.170 1.00 0.00 C ATOM 1130 CG LEU A 71 70.520 5.679 -4.147 1.00 0.00 C ATOM 1131 CD1 LEU A 71 71.846 6.024 -4.829 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.263 6.671 -3.009 1.00 0.00 C ATOM 0 H LEU A 71 68.124 3.738 -6.225 1.00 0.00 H new ATOM 0 HA LEU A 71 68.244 4.948 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.685 5.286 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.166 6.806 -5.401 1.00 0.00 H new ATOM 0 HG LEU A 71 70.567 4.668 -3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.656 5.965 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.033 5.319 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 71 71.795 7.035 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.073 6.609 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 71 70.214 7.682 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.319 6.429 -2.521 1.00 0.00 H new ATOM 1144 N ARG A 72 66.184 6.280 -3.816 1.00 0.00 N ATOM 1145 CA ARG A 72 64.990 7.106 -3.951 1.00 0.00 C ATOM 1146 C ARG A 72 65.341 8.584 -3.813 1.00 0.00 C ATOM 1147 O ARG A 72 65.777 9.031 -2.753 1.00 0.00 O ATOM 1148 CB ARG A 72 63.970 6.718 -2.879 1.00 0.00 C ATOM 1149 CG ARG A 72 62.720 7.587 -3.027 1.00 0.00 C ATOM 1150 CD ARG A 72 62.669 8.611 -1.892 1.00 0.00 C ATOM 1151 NE ARG A 72 61.487 9.454 -2.026 1.00 0.00 N ATOM 1152 CZ ARG A 72 61.301 10.509 -1.241 1.00 0.00 C ATOM 1153 NH1 ARG A 72 60.236 11.250 -1.384 1.00 0.00 N ATOM 1154 NH2 ARG A 72 62.182 10.804 -0.324 1.00 0.00 N ATOM 0 H ARG A 72 66.399 5.995 -2.861 1.00 0.00 H new ATOM 0 HA ARG A 72 64.562 6.940 -4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 72 63.707 5.665 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 72 64.402 6.849 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 72 62.732 8.097 -3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 72 61.827 6.963 -3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 72 62.651 8.098 -0.930 1.00 0.00 H new ATOM 0 HD3 ARG A 72 63.568 9.227 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 72 60.790 9.229 -2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 72 59.546 11.019 -2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 72 60.094 12.060 -0.781 1.00 0.00 H new ATOM 0 HH21 ARG A 72 63.013 10.224 -0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 72 62.039 11.614 0.279 1.00 0.00 H new ATOM 1168 N LEU A 73 65.148 9.335 -4.891 1.00 0.00 N ATOM 1169 CA LEU A 73 65.448 10.762 -4.880 1.00 0.00 C ATOM 1170 C LEU A 73 64.875 11.436 -6.127 1.00 0.00 C ATOM 1171 O LEU A 73 65.585 12.105 -6.877 1.00 0.00 O ATOM 1172 CB LEU A 73 66.969 10.968 -4.808 1.00 0.00 C ATOM 1173 CG LEU A 73 67.292 12.201 -3.958 1.00 0.00 C ATOM 1174 CD1 LEU A 73 68.809 12.368 -3.864 1.00 0.00 C ATOM 1175 CD2 LEU A 73 66.686 13.449 -4.605 1.00 0.00 C ATOM 0 H LEU A 73 64.788 8.983 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 73 64.986 11.217 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.444 10.086 -4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.375 11.092 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 73 66.872 12.071 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.042 13.245 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.245 11.482 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.224 12.496 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.918 14.323 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 73 67.103 13.580 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.604 13.333 -4.676 1.00 0.00 H new ATOM 1187 N ARG A 74 63.576 11.253 -6.342 1.00 0.00 N ATOM 1188 CA ARG A 74 62.911 11.844 -7.498 1.00 0.00 C ATOM 1189 C ARG A 74 61.526 12.356 -7.117 1.00 0.00 C ATOM 1190 O ARG A 74 60.896 11.841 -6.193 1.00 0.00 O ATOM 1191 CB ARG A 74 62.785 10.804 -8.614 1.00 0.00 C ATOM 1192 CG ARG A 74 61.936 9.629 -8.123 1.00 0.00 C ATOM 1193 CD ARG A 74 61.983 8.498 -9.150 1.00 0.00 C ATOM 1194 NE ARG A 74 61.331 7.307 -8.619 1.00 0.00 N ATOM 1195 CZ ARG A 74 60.007 7.201 -8.594 1.00 0.00 C ATOM 1196 NH1 ARG A 74 59.447 6.126 -8.112 1.00 0.00 N ATOM 1197 NH2 ARG A 74 59.266 8.172 -9.053 1.00 0.00 N ATOM 0 H ARG A 74 62.967 10.704 -5.736 1.00 0.00 H new ATOM 0 HA ARG A 74 63.511 12.684 -7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.327 11.254 -9.495 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.773 10.453 -8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.307 9.276 -7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.906 9.951 -7.968 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.490 8.812 -10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.018 8.271 -9.405 1.00 0.00 H new ATOM 0 HE ARG A 74 61.902 6.541 -8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 74 60.026 5.366 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.430 6.045 -8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 74 59.703 9.012 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 74 58.249 8.091 -9.034 1.00 0.00 H new ATOM 1211 N GLY A 75 61.058 13.372 -7.835 1.00 0.00 N ATOM 1212 CA GLY A 75 59.746 13.947 -7.565 1.00 0.00 C ATOM 1213 C GLY A 75 58.698 13.383 -8.517 1.00 0.00 C ATOM 1214 O GLY A 75 57.696 12.811 -8.086 1.00 0.00 O ATOM 0 H GLY A 75 61.564 13.812 -8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 75 59.458 13.737 -6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 75 59.791 15.031 -7.669 1.00 0.00 H new ATOM 1218 N GLY A 76 58.932 13.549 -9.815 1.00 0.00 N ATOM 1219 CA GLY A 76 58.000 13.053 -10.821 1.00 0.00 C ATOM 1220 C GLY A 76 58.747 12.438 -11.999 1.00 0.00 C ATOM 1221 O GLY A 76 58.755 11.222 -12.100 1.00 0.00 O ATOM 1222 OXT GLY A 76 59.300 13.191 -12.783 1.00 0.00 O ATOM 0 H GLY A 76 59.754 14.020 -10.193 1.00 0.00 H new ATOM 0 HA2 GLY A 76 57.340 12.309 -10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 76 57.369 13.870 -11.172 1.00 0.00 H new TER 1226 GLY A 76