USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 6 LYS NZ :NH3+ 178:sc= 0.997 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot -169:sc= 0.87 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.4 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00577 USER MOD Single : A 1 MET CE :methyl -159:sc= 0 (180deg=-0.597) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.24 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 1.24 (180deg=-0.0805!) USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.0269 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.119 USER MOD Single : A 25 ASN : amide:sc= 0.595 K(o=0.59,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 1.06 (180deg=-1.01!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.265 K(o=-0.26,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00122 K(o=-0.0012,f=-1.7) USER MOD Single : A 41 GLN : amide:sc= 0.922 K(o=0.92,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -27:sc= 1.17 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.662 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= -0.0174 (180deg=-0.254) USER MOD Single : A 65 SER OG : rot 171:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.206 K(o=0.21,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.201 -4.761 -3.625 1.00 0.78 N ATOM 2 CA MET A 1 12.832 -5.470 -2.379 1.00 0.70 C ATOM 3 C MET A 1 11.428 -5.970 -2.364 1.00 0.62 C ATOM 4 O MET A 1 10.567 -5.706 -3.200 1.00 0.68 O ATOM 5 CB MET A 1 12.996 -4.451 -1.237 1.00 0.75 C ATOM 6 CG MET A 1 12.008 -3.286 -1.152 1.00 0.79 C ATOM 7 SD MET A 1 12.532 -2.110 0.130 1.00 1.10 S ATOM 8 CE MET A 1 11.299 -0.811 -0.180 1.00 0.84 C ATOM 0 H1 MET A 1 13.968 -4.087 -3.427 1.00 0.78 H new ATOM 0 H2 MET A 1 13.521 -5.450 -4.335 1.00 0.78 H new ATOM 0 H3 MET A 1 12.374 -4.247 -3.990 1.00 0.78 H new ATOM 0 HA MET A 1 13.471 -6.348 -2.281 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.946 -4.997 -0.295 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.999 -4.031 -1.309 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.947 -2.781 -2.116 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.010 -3.662 -0.925 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.657 0.135 0.226 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.141 -0.708 -1.254 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.359 -1.080 0.301 1.00 0.84 H new ATOM 20 N GLN A 2 11.099 -6.745 -1.315 1.00 0.59 N ATOM 21 CA GLN A 2 9.875 -7.453 -1.107 1.00 0.56 C ATOM 22 C GLN A 2 9.241 -6.846 0.097 1.00 0.50 C ATOM 23 O GLN A 2 9.732 -6.904 1.224 1.00 0.60 O ATOM 24 CB GLN A 2 10.269 -8.940 -1.089 1.00 0.71 C ATOM 25 CG GLN A 2 9.151 -9.984 -1.076 1.00 1.15 C ATOM 26 CD GLN A 2 9.688 -11.408 -1.110 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.044 -11.970 -0.076 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.792 -11.941 -2.357 1.00 1.72 N ATOM 0 H GLN A 2 11.751 -6.887 -0.544 1.00 0.59 H new ATOM 0 HA GLN A 2 9.099 -7.381 -1.869 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.892 -9.130 -1.963 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.892 -9.109 -0.211 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.542 -9.849 -0.182 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.498 -9.824 -1.934 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.473 -11.410 -3.167 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.189 -12.872 -2.482 1.00 1.72 H new ATOM 37 N ILE A 3 8.147 -6.111 -0.169 1.00 0.44 N ATOM 38 CA ILE A 3 7.321 -5.600 0.880 1.00 0.42 C ATOM 39 C ILE A 3 6.013 -6.299 0.741 1.00 0.40 C ATOM 40 O ILE A 3 5.754 -6.926 -0.284 1.00 0.50 O ATOM 41 CB ILE A 3 7.108 -4.115 0.842 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.499 -3.659 -0.494 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.510 -3.517 1.053 1.00 0.61 C ATOM 44 CD1 ILE A 3 6.266 -2.149 -0.526 1.00 0.72 C ATOM 0 H ILE A 3 7.834 -5.871 -1.110 1.00 0.44 H new ATOM 0 HA ILE A 3 7.816 -5.782 1.834 1.00 0.42 H new ATOM 0 HB ILE A 3 6.400 -3.787 1.603 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.163 -3.942 -1.311 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.554 -4.176 -0.658 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.447 -2.429 1.039 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.905 -3.846 2.014 1.00 0.61 H new ATOM 0 HG23 ILE A 3 9.172 -3.852 0.255 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.835 -1.868 -1.487 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.581 -1.869 0.275 1.00 0.72 H new ATOM 0 HD13 ILE A 3 7.215 -1.631 -0.389 1.00 0.72 H new ATOM 56 N PHE A 4 5.219 -6.199 1.823 1.00 0.37 N ATOM 57 CA PHE A 4 3.999 -6.932 1.955 1.00 0.38 C ATOM 58 C PHE A 4 2.944 -5.911 2.202 1.00 0.39 C ATOM 59 O PHE A 4 3.264 -4.848 2.731 1.00 0.60 O ATOM 60 CB PHE A 4 4.185 -7.955 3.089 1.00 0.45 C ATOM 61 CG PHE A 4 5.182 -9.027 2.816 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.121 -9.766 1.658 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.194 -9.313 3.703 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.101 -10.684 1.361 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.237 -10.146 3.375 1.00 1.40 C ATOM 66 CZ PHE A 4 7.165 -10.875 2.211 1.00 0.85 C ATOM 0 H PHE A 4 5.429 -5.598 2.620 1.00 0.37 H new ATOM 0 HA PHE A 4 3.711 -7.510 1.077 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.485 -7.423 3.992 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.222 -8.421 3.299 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.296 -9.624 0.976 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.168 -8.869 4.687 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.034 -11.261 0.451 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.099 -10.227 4.021 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.936 -11.590 1.967 1.00 0.85 H new ATOM 76 N VAL A 5 1.708 -6.241 1.784 1.00 0.35 N ATOM 77 CA VAL A 5 0.519 -5.479 2.006 1.00 0.35 C ATOM 78 C VAL A 5 -0.459 -6.512 2.449 1.00 0.35 C ATOM 79 O VAL A 5 -0.647 -7.546 1.810 1.00 0.46 O ATOM 80 CB VAL A 5 0.018 -4.755 0.792 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.049 -3.727 1.202 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.118 -3.909 0.127 1.00 0.56 C ATOM 0 H VAL A 5 1.529 -7.096 1.257 1.00 0.35 H new ATOM 0 HA VAL A 5 0.690 -4.678 2.725 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.354 -5.526 0.117 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.410 -3.204 0.316 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.881 -4.239 1.685 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.614 -3.008 1.896 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.709 -3.403 -0.748 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.486 -3.167 0.836 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.940 -4.556 -0.179 1.00 0.56 H new ATOM 92 N LYS A 6 -0.965 -6.360 3.686 1.00 0.36 N ATOM 93 CA LYS A 6 -2.046 -7.170 4.155 1.00 0.39 C ATOM 94 C LYS A 6 -3.313 -6.460 3.822 1.00 0.46 C ATOM 95 O LYS A 6 -3.423 -5.241 3.931 1.00 0.53 O ATOM 96 CB LYS A 6 -1.851 -7.421 5.661 1.00 0.54 C ATOM 97 CG LYS A 6 -0.992 -8.603 6.113 1.00 1.22 C ATOM 98 CD LYS A 6 -1.529 -9.971 5.687 1.00 1.37 C ATOM 99 CE LYS A 6 -0.948 -11.125 6.505 1.00 1.93 C ATOM 100 NZ LYS A 6 0.454 -11.486 6.198 1.00 2.09 N ATOM 0 H LYS A 6 -0.625 -5.676 4.362 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.082 -8.150 3.679 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.419 -6.517 6.091 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.839 -7.544 6.104 1.00 0.54 H new ATOM 0 HG2 LYS A 6 0.014 -8.480 5.712 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.907 -8.581 7.199 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.615 -9.975 5.785 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.303 -10.131 4.633 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.014 -10.867 7.562 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.572 -12.005 6.352 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.761 -12.254 6.829 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.523 -11.802 5.209 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 1.065 -10.657 6.340 1.00 2.09 H new ATOM 114 N THR A 7 -4.364 -7.190 3.411 1.00 0.58 N ATOM 115 CA THR A 7 -5.664 -6.745 3.014 1.00 0.78 C ATOM 116 C THR A 7 -6.606 -6.718 4.167 1.00 0.94 C ATOM 117 O THR A 7 -6.148 -6.675 5.309 1.00 0.99 O ATOM 118 CB THR A 7 -6.199 -7.631 1.928 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.497 -8.952 2.360 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.183 -7.672 0.774 1.00 0.92 C ATOM 0 H THR A 7 -4.292 -8.206 3.351 1.00 0.58 H new ATOM 0 HA THR A 7 -5.571 -5.727 2.636 1.00 0.78 H new ATOM 0 HB THR A 7 -7.147 -7.202 1.602 1.00 0.90 H new ATOM 0 HG1 THR A 7 -6.842 -9.473 1.605 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.562 -8.314 -0.022 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.032 -6.664 0.387 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.235 -8.067 1.138 1.00 0.92 H new ATOM 128 N LEU A 8 -7.937 -6.674 3.981 1.00 1.17 N ATOM 129 CA LEU A 8 -8.901 -6.677 5.037 1.00 1.39 C ATOM 130 C LEU A 8 -9.165 -8.074 5.487 1.00 1.44 C ATOM 131 O LEU A 8 -9.403 -8.432 6.639 1.00 1.60 O ATOM 132 CB LEU A 8 -10.151 -5.950 4.514 1.00 1.66 C ATOM 133 CG LEU A 8 -9.903 -4.443 4.336 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.115 -3.816 3.629 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.621 -3.655 5.626 1.00 2.43 C ATOM 0 H LEU A 8 -8.360 -6.635 3.054 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.542 -6.151 5.921 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.451 -6.384 3.560 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.977 -6.103 5.208 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.989 -4.372 3.746 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.947 -2.747 3.499 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.249 -4.284 2.654 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.009 -3.972 4.232 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.461 -2.605 5.383 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.472 -3.746 6.301 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.730 -4.055 6.109 1.00 2.43 H new ATOM 147 N THR A 9 -9.070 -9.088 4.608 1.00 1.41 N ATOM 148 CA THR A 9 -9.459 -10.440 4.864 1.00 1.51 C ATOM 149 C THR A 9 -8.374 -11.153 5.595 1.00 1.37 C ATOM 150 O THR A 9 -8.492 -11.518 6.764 1.00 1.62 O ATOM 151 CB THR A 9 -9.706 -11.213 3.602 1.00 1.65 C ATOM 152 OG1 THR A 9 -8.652 -11.164 2.653 1.00 1.89 O ATOM 153 CG2 THR A 9 -10.948 -10.539 2.996 1.00 2.08 C ATOM 0 H THR A 9 -8.701 -8.956 3.666 1.00 1.41 H new ATOM 0 HA THR A 9 -10.379 -10.387 5.447 1.00 1.51 H new ATOM 0 HB THR A 9 -9.813 -12.271 3.840 1.00 1.65 H new ATOM 0 HG1 THR A 9 -8.896 -11.694 1.866 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.212 -11.035 2.062 1.00 2.08 H new ATOM 0 HG22 THR A 9 -11.781 -10.615 3.695 1.00 2.08 H new ATOM 0 HG23 THR A 9 -10.733 -9.489 2.800 1.00 2.08 H new ATOM 161 N GLY A 10 -7.207 -11.222 4.932 1.00 1.18 N ATOM 162 CA GLY A 10 -5.994 -11.764 5.460 1.00 1.22 C ATOM 163 C GLY A 10 -5.061 -12.155 4.367 1.00 0.99 C ATOM 164 O GLY A 10 -4.119 -12.917 4.582 1.00 1.31 O ATOM 0 H GLY A 10 -7.104 -10.881 3.976 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.514 -11.029 6.106 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.219 -12.633 6.078 1.00 1.22 H new ATOM 168 N LYS A 11 -5.030 -11.497 3.194 1.00 0.73 N ATOM 169 CA LYS A 11 -4.196 -11.991 2.142 1.00 0.60 C ATOM 170 C LYS A 11 -3.020 -11.077 2.132 1.00 0.51 C ATOM 171 O LYS A 11 -3.133 -9.853 2.196 1.00 0.63 O ATOM 172 CB LYS A 11 -4.913 -11.811 0.794 1.00 0.75 C ATOM 173 CG LYS A 11 -4.105 -12.353 -0.387 1.00 0.87 C ATOM 174 CD LYS A 11 -5.006 -12.386 -1.623 1.00 1.04 C ATOM 175 CE LYS A 11 -4.168 -12.776 -2.842 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.878 -12.737 -4.140 1.00 1.40 N ATOM 0 H LYS A 11 -5.561 -10.654 2.977 1.00 0.73 H new ATOM 0 HA LYS A 11 -3.942 -13.041 2.287 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.878 -12.317 0.831 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.115 -10.752 0.634 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.235 -11.723 -0.570 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.733 -13.353 -0.163 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.816 -13.101 -1.479 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.466 -11.410 -1.779 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.307 -12.110 -2.898 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.782 -13.784 -2.689 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.203 -12.510 -4.898 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.310 -13.664 -4.327 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.620 -12.009 -4.108 1.00 1.40 H new ATOM 190 N THR A 12 -1.851 -11.734 2.039 1.00 0.49 N ATOM 191 CA THR A 12 -0.651 -11.011 1.752 1.00 0.48 C ATOM 192 C THR A 12 -0.552 -10.753 0.288 1.00 0.52 C ATOM 193 O THR A 12 -0.385 -11.673 -0.511 1.00 0.72 O ATOM 194 CB THR A 12 0.578 -11.792 2.112 1.00 0.64 C ATOM 195 OG1 THR A 12 0.444 -12.297 3.433 1.00 0.77 O ATOM 196 CG2 THR A 12 1.826 -10.895 2.075 1.00 0.78 C ATOM 0 H THR A 12 -1.736 -12.740 2.159 1.00 0.49 H new ATOM 0 HA THR A 12 -0.701 -10.092 2.336 1.00 0.48 H new ATOM 0 HB THR A 12 0.688 -12.602 1.391 1.00 0.64 H new ATOM 0 HG1 THR A 12 1.305 -12.656 3.735 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.705 -11.483 2.340 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.951 -10.487 1.072 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.708 -10.078 2.787 1.00 0.78 H new ATOM 204 N ILE A 13 -0.509 -9.465 -0.100 1.00 0.48 N ATOM 205 CA ILE A 13 -0.254 -9.117 -1.464 1.00 0.55 C ATOM 206 C ILE A 13 1.215 -8.875 -1.510 1.00 0.51 C ATOM 207 O ILE A 13 1.702 -8.107 -0.681 1.00 0.56 O ATOM 208 CB ILE A 13 -0.981 -7.916 -1.990 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.453 -7.873 -1.546 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.918 -7.929 -3.527 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.065 -6.518 -1.895 1.00 1.55 C ATOM 0 H ILE A 13 -0.649 -8.671 0.525 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.615 -9.923 -2.103 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.493 -7.031 -1.583 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -3.012 -8.671 -2.035 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.523 -8.047 -0.472 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.444 -7.059 -3.920 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.123 -7.899 -3.849 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.388 -8.838 -3.903 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.107 -6.497 -1.577 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.514 -5.728 -1.385 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.011 -6.361 -2.972 1.00 1.55 H new ATOM 223 N THR A 14 1.987 -9.657 -2.285 1.00 0.55 N ATOM 224 CA THR A 14 3.403 -9.523 -2.432 1.00 0.54 C ATOM 225 C THR A 14 3.705 -8.533 -3.505 1.00 0.55 C ATOM 226 O THR A 14 3.261 -8.656 -4.646 1.00 0.72 O ATOM 227 CB THR A 14 4.085 -10.856 -2.503 1.00 0.67 C ATOM 228 OG1 THR A 14 3.872 -11.599 -1.311 1.00 1.08 O ATOM 229 CG2 THR A 14 5.604 -10.669 -2.661 1.00 1.03 C ATOM 0 H THR A 14 1.603 -10.423 -2.838 1.00 0.55 H new ATOM 0 HA THR A 14 3.852 -9.093 -1.536 1.00 0.54 H new ATOM 0 HB THR A 14 3.668 -11.388 -3.358 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.337 -11.163 -0.566 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.087 -11.645 -2.711 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.809 -10.115 -3.577 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.993 -10.115 -1.807 1.00 1.03 H new ATOM 237 N LEU A 15 4.448 -7.454 -3.204 1.00 0.50 N ATOM 238 CA LEU A 15 4.676 -6.399 -4.142 1.00 0.55 C ATOM 239 C LEU A 15 6.138 -6.120 -4.218 1.00 0.52 C ATOM 240 O LEU A 15 6.853 -5.707 -3.307 1.00 0.58 O ATOM 241 CB LEU A 15 3.931 -5.080 -3.870 1.00 0.69 C ATOM 242 CG LEU A 15 2.405 -5.264 -3.872 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.733 -3.937 -3.481 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.783 -5.703 -5.208 1.00 1.55 C ATOM 0 H LEU A 15 4.896 -7.311 -2.299 1.00 0.50 H new ATOM 0 HA LEU A 15 4.269 -6.768 -5.084 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.246 -4.679 -2.906 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.208 -4.346 -4.627 1.00 0.69 H new ATOM 0 HG LEU A 15 2.230 -6.072 -3.161 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.650 -4.063 -3.481 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.064 -3.641 -2.485 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.008 -3.164 -4.199 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.704 -5.801 -5.092 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.999 -4.957 -5.973 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.204 -6.663 -5.508 1.00 1.55 H new ATOM 256 N GLU A 16 6.625 -6.465 -5.423 1.00 0.59 N ATOM 257 CA GLU A 16 7.995 -6.135 -5.666 1.00 0.63 C ATOM 258 C GLU A 16 8.203 -4.706 -6.035 1.00 0.65 C ATOM 259 O GLU A 16 7.592 -4.157 -6.950 1.00 0.81 O ATOM 260 CB GLU A 16 8.656 -7.166 -6.598 1.00 0.76 C ATOM 261 CG GLU A 16 10.180 -7.046 -6.609 1.00 1.41 C ATOM 262 CD GLU A 16 10.595 -8.068 -7.659 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.523 -9.299 -7.395 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.058 -7.630 -8.746 1.00 1.95 O ATOM 0 H GLU A 16 6.120 -6.934 -6.175 1.00 0.59 H new ATOM 0 HA GLU A 16 8.533 -6.215 -4.721 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.375 -8.171 -6.282 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.276 -7.033 -7.611 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.504 -6.040 -6.875 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.610 -7.272 -5.633 1.00 1.41 H new ATOM 271 N VAL A 17 9.021 -4.050 -5.193 1.00 0.61 N ATOM 272 CA VAL A 17 9.219 -2.646 -5.379 1.00 0.63 C ATOM 273 C VAL A 17 10.657 -2.335 -5.136 1.00 0.65 C ATOM 274 O VAL A 17 11.382 -3.082 -4.483 1.00 0.76 O ATOM 275 CB VAL A 17 8.402 -1.677 -4.577 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.902 -1.567 -4.897 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.546 -2.091 -3.103 1.00 0.92 C ATOM 0 H VAL A 17 9.527 -4.470 -4.413 1.00 0.61 H new ATOM 0 HA VAL A 17 8.872 -2.489 -6.400 1.00 0.63 H new ATOM 0 HB VAL A 17 8.796 -0.692 -4.829 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.443 -0.829 -4.239 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.773 -1.258 -5.934 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.426 -2.535 -4.745 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.967 -1.413 -2.476 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.178 -3.109 -2.973 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.596 -2.045 -2.813 1.00 0.92 H new ATOM 287 N GLU A 18 11.203 -1.185 -5.569 1.00 0.68 N ATOM 288 CA GLU A 18 12.499 -0.775 -5.124 1.00 0.74 C ATOM 289 C GLU A 18 12.372 0.522 -4.402 1.00 0.71 C ATOM 290 O GLU A 18 11.266 1.056 -4.479 1.00 0.74 O ATOM 291 CB GLU A 18 13.465 -0.716 -6.318 1.00 0.88 C ATOM 292 CG GLU A 18 13.944 -2.085 -6.807 1.00 1.16 C ATOM 293 CD GLU A 18 15.223 -2.077 -7.633 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.391 -1.278 -8.592 1.00 2.33 O ATOM 295 OE2 GLU A 18 16.106 -2.937 -7.367 1.00 2.35 O ATOM 0 H GLU A 18 10.752 -0.544 -6.222 1.00 0.68 H new ATOM 0 HA GLU A 18 12.920 -1.497 -4.424 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.974 -0.200 -7.143 1.00 0.88 H new ATOM 0 HB3 GLU A 18 14.333 -0.118 -6.039 1.00 0.88 H new ATOM 0 HG2 GLU A 18 14.096 -2.728 -5.940 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.151 -2.536 -7.403 1.00 1.16 H new ATOM 302 N PRO A 19 13.293 1.124 -3.709 1.00 0.74 N ATOM 303 CA PRO A 19 13.098 2.301 -2.912 1.00 0.74 C ATOM 304 C PRO A 19 12.683 3.587 -3.539 1.00 0.70 C ATOM 305 O PRO A 19 12.187 4.467 -2.836 1.00 0.74 O ATOM 306 CB PRO A 19 14.451 2.537 -2.245 1.00 0.86 C ATOM 307 CG PRO A 19 15.017 1.119 -2.075 1.00 0.95 C ATOM 308 CD PRO A 19 14.413 0.323 -3.243 1.00 0.82 C ATOM 0 HA PRO A 19 12.236 2.072 -2.286 1.00 0.74 H new ATOM 0 HB2 PRO A 19 15.101 3.157 -2.863 1.00 0.86 H new ATOM 0 HB3 PRO A 19 14.343 3.044 -1.286 1.00 0.86 H new ATOM 0 HG2 PRO A 19 16.106 1.119 -2.115 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.733 0.691 -1.114 1.00 0.95 H new ATOM 0 HD2 PRO A 19 15.145 0.170 -4.036 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.084 -0.664 -2.919 1.00 0.82 H new ATOM 316 N SER A 20 12.862 3.743 -4.862 1.00 0.70 N ATOM 317 CA SER A 20 12.325 4.861 -5.574 1.00 0.74 C ATOM 318 C SER A 20 11.013 4.701 -6.261 1.00 0.71 C ATOM 319 O SER A 20 10.577 5.542 -7.044 1.00 0.80 O ATOM 320 CB SER A 20 13.262 5.383 -6.676 1.00 0.89 C ATOM 321 OG SER A 20 14.506 5.893 -6.219 1.00 1.45 O ATOM 0 H SER A 20 13.384 3.088 -5.444 1.00 0.70 H new ATOM 0 HA SER A 20 12.196 5.541 -4.732 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.456 4.574 -7.380 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.746 6.169 -7.228 1.00 0.89 H new ATOM 0 HG SER A 20 15.035 6.200 -6.985 1.00 1.45 H new ATOM 327 N ASP A 21 10.274 3.641 -5.889 1.00 0.70 N ATOM 328 CA ASP A 21 8.898 3.434 -6.220 1.00 0.73 C ATOM 329 C ASP A 21 8.097 4.314 -5.321 1.00 0.64 C ATOM 330 O ASP A 21 8.410 4.610 -4.169 1.00 0.66 O ATOM 331 CB ASP A 21 8.374 1.989 -6.221 1.00 0.87 C ATOM 332 CG ASP A 21 8.867 1.264 -7.465 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.212 1.548 -8.504 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.877 0.514 -7.523 1.00 1.69 O ATOM 0 H ASP A 21 10.660 2.884 -5.324 1.00 0.70 H new ATOM 0 HA ASP A 21 8.792 3.693 -7.273 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.715 1.468 -5.326 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.284 1.987 -6.196 1.00 0.87 H new ATOM 339 N THR A 22 6.931 4.833 -5.745 1.00 0.63 N ATOM 340 CA THR A 22 6.053 5.614 -4.931 1.00 0.58 C ATOM 341 C THR A 22 4.924 4.842 -4.339 1.00 0.53 C ATOM 342 O THR A 22 4.792 3.628 -4.482 1.00 0.58 O ATOM 343 CB THR A 22 5.485 6.773 -5.698 1.00 0.63 C ATOM 344 OG1 THR A 22 4.652 6.450 -6.802 1.00 0.70 O ATOM 345 CG2 THR A 22 6.623 7.632 -6.275 1.00 0.75 C ATOM 0 H THR A 22 6.586 4.703 -6.696 1.00 0.63 H new ATOM 0 HA THR A 22 6.679 5.965 -4.111 1.00 0.58 H new ATOM 0 HB THR A 22 4.870 7.283 -4.956 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.467 7.261 -7.320 1.00 0.70 H new ATOM 0 HG21 THR A 22 6.201 8.470 -6.830 1.00 0.75 H new ATOM 0 HG22 THR A 22 7.242 8.010 -5.461 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.234 7.025 -6.944 1.00 0.75 H new ATOM 353 N ILE A 23 3.936 5.556 -3.770 1.00 0.51 N ATOM 354 CA ILE A 23 2.753 4.934 -3.261 1.00 0.48 C ATOM 355 C ILE A 23 1.717 4.833 -4.327 1.00 0.48 C ATOM 356 O ILE A 23 0.951 3.872 -4.362 1.00 0.51 O ATOM 357 CB ILE A 23 2.294 5.744 -2.085 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.410 5.843 -1.031 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.969 5.417 -1.376 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.014 4.495 -0.638 1.00 0.73 C ATOM 0 H ILE A 23 3.957 6.570 -3.662 1.00 0.51 H new ATOM 0 HA ILE A 23 2.949 3.912 -2.937 1.00 0.48 H new ATOM 0 HB ILE A 23 2.061 6.686 -2.581 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.202 6.487 -1.414 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.011 6.325 -0.138 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.815 6.114 -0.553 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.146 5.505 -2.085 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.006 4.399 -0.987 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.793 4.649 0.109 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.236 3.855 -0.223 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.445 4.019 -1.519 1.00 0.73 H new ATOM 372 N GLU A 24 1.690 5.770 -5.292 1.00 0.50 N ATOM 373 CA GLU A 24 0.970 5.741 -6.528 1.00 0.53 C ATOM 374 C GLU A 24 1.326 4.595 -7.411 1.00 0.50 C ATOM 375 O GLU A 24 0.471 4.015 -8.079 1.00 0.55 O ATOM 376 CB GLU A 24 1.137 7.082 -7.261 1.00 0.64 C ATOM 377 CG GLU A 24 0.433 7.135 -8.618 1.00 0.95 C ATOM 378 CD GLU A 24 0.359 8.600 -9.021 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.452 9.212 -9.158 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.757 9.125 -9.282 1.00 1.56 O ATOM 0 H GLU A 24 2.226 6.632 -5.195 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.079 5.589 -6.275 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.749 7.881 -6.630 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.200 7.277 -7.405 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.983 6.558 -9.361 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.565 6.702 -8.552 1.00 0.95 H new ATOM 387 N ASN A 25 2.583 4.116 -7.392 1.00 0.51 N ATOM 388 CA ASN A 25 3.104 2.863 -7.841 1.00 0.52 C ATOM 389 C ASN A 25 2.602 1.665 -7.111 1.00 0.47 C ATOM 390 O ASN A 25 2.204 0.679 -7.731 1.00 0.53 O ATOM 391 CB ASN A 25 4.631 2.707 -7.951 1.00 0.64 C ATOM 392 CG ASN A 25 5.165 3.651 -9.019 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.400 4.296 -9.733 1.00 2.13 O ATOM 394 ND2 ASN A 25 6.509 3.717 -9.213 1.00 1.57 N ATOM 0 H ASN A 25 3.332 4.692 -7.008 1.00 0.51 H new ATOM 0 HA ASN A 25 2.702 2.903 -8.853 1.00 0.52 H new ATOM 0 HB2 ASN A 25 5.099 2.926 -6.991 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.884 1.677 -8.202 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.889 4.305 -9.955 1.00 1.57 H new ATOM 0 HD22 ASN A 25 7.137 3.179 -8.616 1.00 1.57 H new ATOM 401 N VAL A 26 2.560 1.779 -5.773 1.00 0.45 N ATOM 402 CA VAL A 26 1.976 0.656 -5.105 1.00 0.44 C ATOM 403 C VAL A 26 0.529 0.390 -5.335 1.00 0.40 C ATOM 404 O VAL A 26 0.125 -0.765 -5.465 1.00 0.44 O ATOM 405 CB VAL A 26 2.269 0.797 -3.641 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.592 -0.255 -2.746 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.796 0.695 -3.486 1.00 0.62 C ATOM 0 H VAL A 26 2.890 2.557 -5.201 1.00 0.45 H new ATOM 0 HA VAL A 26 2.439 -0.224 -5.551 1.00 0.44 H new ATOM 0 HB VAL A 26 1.865 1.753 -3.309 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.861 -0.074 -1.705 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.510 -0.186 -2.859 1.00 0.60 H new ATOM 0 HG13 VAL A 26 1.925 -1.251 -3.039 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.062 0.792 -2.433 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.136 -0.271 -3.859 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.274 1.492 -4.056 1.00 0.62 H new ATOM 417 N LYS A 27 -0.260 1.463 -5.524 1.00 0.40 N ATOM 418 CA LYS A 27 -1.679 1.499 -5.700 1.00 0.41 C ATOM 419 C LYS A 27 -2.018 0.989 -7.058 1.00 0.38 C ATOM 420 O LYS A 27 -2.970 0.242 -7.277 1.00 0.42 O ATOM 421 CB LYS A 27 -2.427 2.801 -5.367 1.00 0.51 C ATOM 422 CG LYS A 27 -2.315 3.101 -3.871 1.00 0.76 C ATOM 423 CD LYS A 27 -3.177 4.244 -3.330 1.00 0.82 C ATOM 424 CE LYS A 27 -2.592 5.548 -3.879 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.442 6.719 -3.573 1.00 1.11 N ATOM 0 H LYS A 27 0.140 2.401 -5.556 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.060 0.843 -4.917 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.011 3.627 -5.944 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.476 2.710 -5.651 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.570 2.194 -3.323 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.272 3.326 -3.647 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.214 4.125 -3.643 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.171 4.248 -2.240 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.599 5.703 -3.458 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.471 5.463 -4.959 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.334 7.432 -4.323 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.437 6.421 -3.519 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.154 7.129 -2.662 1.00 1.11 H new ATOM 439 N ALA A 28 -1.187 1.289 -8.073 1.00 0.39 N ATOM 440 CA ALA A 28 -1.274 0.810 -9.417 1.00 0.39 C ATOM 441 C ALA A 28 -0.939 -0.640 -9.495 1.00 0.36 C ATOM 442 O ALA A 28 -1.537 -1.435 -10.218 1.00 0.42 O ATOM 443 CB ALA A 28 -0.213 1.544 -10.254 1.00 0.51 C ATOM 0 H ALA A 28 -0.393 1.916 -7.941 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.290 0.977 -9.775 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.259 1.196 -11.286 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.404 2.617 -10.224 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.777 1.341 -9.846 1.00 0.51 H new ATOM 449 N LYS A 29 -0.030 -1.165 -8.653 1.00 0.39 N ATOM 450 CA LYS A 29 0.348 -2.539 -8.545 1.00 0.43 C ATOM 451 C LYS A 29 -0.634 -3.429 -7.863 1.00 0.44 C ATOM 452 O LYS A 29 -0.737 -4.623 -8.144 1.00 0.54 O ATOM 453 CB LYS A 29 1.710 -2.820 -7.886 1.00 0.54 C ATOM 454 CG LYS A 29 2.895 -2.423 -8.768 1.00 0.65 C ATOM 455 CD LYS A 29 4.240 -2.565 -8.055 1.00 1.08 C ATOM 456 CE LYS A 29 5.505 -1.961 -8.671 1.00 1.24 C ATOM 457 NZ LYS A 29 5.901 -2.658 -9.915 1.00 1.44 N ATOM 0 H LYS A 29 0.481 -0.577 -7.994 1.00 0.39 H new ATOM 0 HA LYS A 29 0.398 -2.777 -9.607 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.769 -2.278 -6.942 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.780 -3.882 -7.649 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.898 -3.042 -9.665 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.769 -1.390 -9.094 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.126 -2.133 -7.061 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.423 -3.631 -7.920 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.336 -0.905 -8.884 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.321 -2.014 -7.950 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.761 -2.219 -10.300 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.087 -3.660 -9.707 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.133 -2.586 -10.613 1.00 1.44 H new ATOM 471 N ILE A 30 -1.455 -2.815 -6.993 1.00 0.41 N ATOM 472 CA ILE A 30 -2.514 -3.596 -6.431 1.00 0.44 C ATOM 473 C ILE A 30 -3.699 -3.736 -7.323 1.00 0.45 C ATOM 474 O ILE A 30 -4.403 -4.743 -7.288 1.00 0.56 O ATOM 475 CB ILE A 30 -2.821 -3.035 -5.075 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.820 -3.581 -4.041 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.267 -3.375 -4.677 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.935 -2.794 -2.737 1.00 1.32 C ATOM 0 H ILE A 30 -1.397 -1.842 -6.692 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.188 -4.630 -6.322 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.724 -1.950 -5.105 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -2.015 -4.637 -3.856 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.805 -3.508 -4.431 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.479 -2.963 -3.691 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.955 -2.946 -5.405 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.393 -4.457 -4.653 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.223 -3.187 -2.011 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.718 -1.743 -2.926 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.946 -2.890 -2.342 1.00 1.32 H new ATOM 490 N GLN A 31 -3.884 -2.725 -8.191 1.00 0.41 N ATOM 491 CA GLN A 31 -4.809 -2.695 -9.281 1.00 0.48 C ATOM 492 C GLN A 31 -4.539 -3.704 -10.344 1.00 0.52 C ATOM 493 O GLN A 31 -5.514 -4.270 -10.835 1.00 0.66 O ATOM 494 CB GLN A 31 -5.008 -1.336 -9.973 1.00 0.52 C ATOM 495 CG GLN A 31 -6.322 -1.199 -10.744 1.00 0.70 C ATOM 496 CD GLN A 31 -6.412 0.128 -11.484 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.429 0.851 -11.644 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.607 0.473 -12.033 1.00 1.43 N ATOM 0 H GLN A 31 -3.344 -1.862 -8.124 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.730 -2.940 -8.752 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.960 -0.549 -9.220 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.179 -1.169 -10.661 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.411 -2.019 -11.457 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.159 -1.286 -10.052 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.421 -0.127 -11.900 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.689 1.331 -12.578 1.00 1.43 H new ATOM 507 N ASP A 32 -3.231 -3.920 -10.573 1.00 0.50 N ATOM 508 CA ASP A 32 -2.646 -4.976 -11.339 1.00 0.60 C ATOM 509 C ASP A 32 -3.007 -6.293 -10.741 1.00 0.65 C ATOM 510 O ASP A 32 -3.773 -7.012 -11.381 1.00 0.81 O ATOM 511 CB ASP A 32 -1.120 -4.866 -11.497 1.00 0.67 C ATOM 512 CG ASP A 32 -0.387 -5.669 -12.562 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.004 -6.831 -12.261 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.384 -5.137 -13.704 1.00 1.51 O ATOM 0 H ASP A 32 -2.521 -3.298 -10.186 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.057 -4.888 -12.345 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.891 -3.815 -11.674 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.679 -5.131 -10.536 1.00 0.67 H new ATOM 519 N LYS A 33 -2.568 -6.629 -9.516 1.00 0.62 N ATOM 520 CA LYS A 33 -2.723 -7.918 -8.916 1.00 0.73 C ATOM 521 C LYS A 33 -4.123 -8.302 -8.580 1.00 0.69 C ATOM 522 O LYS A 33 -4.614 -9.369 -8.944 1.00 0.83 O ATOM 523 CB LYS A 33 -1.896 -8.007 -7.621 1.00 0.85 C ATOM 524 CG LYS A 33 -0.376 -7.993 -7.792 1.00 1.31 C ATOM 525 CD LYS A 33 0.285 -9.254 -8.351 1.00 1.71 C ATOM 526 CE LYS A 33 1.782 -9.124 -8.638 1.00 2.26 C ATOM 527 NZ LYS A 33 2.318 -10.226 -9.468 1.00 2.62 N ATOM 0 H LYS A 33 -2.080 -5.967 -8.912 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.375 -8.611 -9.682 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.177 -7.174 -6.977 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.174 -8.922 -7.098 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.119 -7.160 -8.447 1.00 1.31 H new ATOM 0 HG3 LYS A 33 0.070 -7.783 -6.820 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.135 -10.069 -7.643 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.224 -9.535 -9.273 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.967 -8.176 -9.143 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.325 -9.093 -7.693 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.335 -10.079 -9.626 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.171 -11.132 -8.979 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.825 -10.243 -10.383 1.00 2.62 H new ATOM 541 N GLU A 34 -4.858 -7.474 -7.816 1.00 0.63 N ATOM 542 CA GLU A 34 -6.078 -7.806 -7.149 1.00 0.67 C ATOM 543 C GLU A 34 -7.288 -7.107 -7.665 1.00 0.69 C ATOM 544 O GLU A 34 -8.411 -7.576 -7.486 1.00 0.95 O ATOM 545 CB GLU A 34 -6.077 -7.451 -5.653 1.00 0.73 C ATOM 546 CG GLU A 34 -4.935 -8.118 -4.885 1.00 0.83 C ATOM 547 CD GLU A 34 -5.010 -9.638 -4.901 1.00 0.95 C ATOM 548 OE1 GLU A 34 -5.911 -10.262 -4.279 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.160 -10.299 -5.557 1.00 1.48 O ATOM 0 H GLU A 34 -4.579 -6.506 -7.654 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.126 -8.879 -7.333 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.001 -6.369 -5.541 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.028 -7.751 -5.213 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.984 -7.803 -5.315 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.949 -7.771 -3.852 1.00 0.83 H new ATOM 556 N GLY A 35 -7.092 -5.926 -8.280 1.00 0.63 N ATOM 557 CA GLY A 35 -8.187 -5.352 -8.999 1.00 0.68 C ATOM 558 C GLY A 35 -9.057 -4.417 -8.232 1.00 0.76 C ATOM 559 O GLY A 35 -10.253 -4.685 -8.126 1.00 1.12 O ATOM 0 H GLY A 35 -6.223 -5.392 -8.283 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.789 -4.819 -9.863 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.808 -6.162 -9.382 1.00 0.68 H new ATOM 563 N ILE A 36 -8.505 -3.414 -7.528 1.00 0.70 N ATOM 564 CA ILE A 36 -9.113 -2.417 -6.703 1.00 0.76 C ATOM 565 C ILE A 36 -8.721 -1.117 -7.316 1.00 0.71 C ATOM 566 O ILE A 36 -7.508 -0.997 -7.481 1.00 0.73 O ATOM 567 CB ILE A 36 -8.605 -2.550 -5.298 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.741 -3.972 -4.727 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.319 -1.475 -4.460 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.346 -4.052 -3.254 1.00 1.16 C ATOM 0 H ILE A 36 -7.493 -3.290 -7.543 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.198 -2.509 -6.648 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.528 -2.384 -5.273 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.771 -4.309 -4.842 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.116 -4.653 -5.305 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.979 -1.534 -3.426 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.089 -0.488 -4.862 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.396 -1.640 -4.498 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.461 -5.077 -2.902 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.307 -3.743 -3.139 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.988 -3.393 -2.669 1.00 1.16 H new ATOM 582 N PRO A 37 -9.534 -0.155 -7.639 1.00 0.75 N ATOM 583 CA PRO A 37 -9.121 1.109 -8.175 1.00 0.79 C ATOM 584 C PRO A 37 -8.288 1.955 -7.275 1.00 0.75 C ATOM 585 O PRO A 37 -8.573 1.887 -6.081 1.00 0.75 O ATOM 586 CB PRO A 37 -10.407 1.830 -8.574 1.00 0.95 C ATOM 587 CG PRO A 37 -11.468 1.263 -7.617 1.00 1.02 C ATOM 588 CD PRO A 37 -10.912 -0.101 -7.174 1.00 0.85 C ATOM 0 HA PRO A 37 -8.452 0.923 -9.015 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.309 2.910 -8.465 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.666 1.637 -9.615 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.623 1.923 -6.763 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.432 1.154 -8.115 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.960 -0.206 -6.090 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.498 -0.916 -7.600 1.00 0.85 H new ATOM 596 N PRO A 38 -7.364 2.728 -7.766 1.00 0.81 N ATOM 597 CA PRO A 38 -6.400 3.437 -6.978 1.00 0.85 C ATOM 598 C PRO A 38 -6.974 4.608 -6.257 1.00 0.89 C ATOM 599 O PRO A 38 -6.273 5.036 -5.341 1.00 0.99 O ATOM 600 CB PRO A 38 -5.219 3.747 -7.894 1.00 1.01 C ATOM 601 CG PRO A 38 -5.787 3.622 -9.317 1.00 1.25 C ATOM 602 CD PRO A 38 -6.816 2.502 -9.095 1.00 0.98 C ATOM 0 HA PRO A 38 -6.047 2.823 -6.150 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.827 4.747 -7.710 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.398 3.048 -7.732 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.246 4.547 -9.665 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.025 3.350 -10.048 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.599 2.534 -9.852 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.347 1.520 -9.163 1.00 0.98 H new ATOM 610 N ASP A 39 -8.224 5.044 -6.496 1.00 0.96 N ATOM 611 CA ASP A 39 -8.725 6.034 -5.593 1.00 1.11 C ATOM 612 C ASP A 39 -9.382 5.435 -4.396 1.00 1.00 C ATOM 613 O ASP A 39 -9.587 6.153 -3.419 1.00 1.14 O ATOM 614 CB ASP A 39 -9.780 6.933 -6.261 1.00 1.39 C ATOM 615 CG ASP A 39 -9.344 7.425 -7.633 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.422 8.280 -7.703 1.00 2.25 O ATOM 617 OD2 ASP A 39 -10.141 7.157 -8.572 1.00 2.23 O ATOM 0 H ASP A 39 -8.844 4.743 -7.248 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.848 6.610 -5.296 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.715 6.380 -6.357 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -9.981 7.790 -5.619 1.00 1.39 H new ATOM 622 N GLN A 40 -9.767 4.147 -4.410 1.00 0.87 N ATOM 623 CA GLN A 40 -10.377 3.474 -3.306 1.00 0.84 C ATOM 624 C GLN A 40 -9.423 3.038 -2.248 1.00 0.67 C ATOM 625 O GLN A 40 -9.825 2.754 -1.120 1.00 0.80 O ATOM 626 CB GLN A 40 -11.237 2.259 -3.695 1.00 0.95 C ATOM 627 CG GLN A 40 -12.214 1.677 -2.671 1.00 1.32 C ATOM 628 CD GLN A 40 -12.958 0.426 -3.115 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.573 -0.444 -3.894 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.195 0.302 -2.564 1.00 2.02 N ATOM 0 H GLN A 40 -9.648 3.548 -5.227 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.025 4.254 -2.905 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.813 2.534 -4.578 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.559 1.459 -3.993 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.663 1.447 -1.759 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.946 2.443 -2.417 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.537 1.010 -1.915 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.780 -0.499 -2.800 1.00 2.02 H new ATOM 639 N GLN A 41 -8.149 2.829 -2.623 1.00 0.56 N ATOM 640 CA GLN A 41 -7.135 2.229 -1.812 1.00 0.51 C ATOM 641 C GLN A 41 -6.501 3.187 -0.864 1.00 0.49 C ATOM 642 O GLN A 41 -5.731 4.069 -1.240 1.00 0.65 O ATOM 643 CB GLN A 41 -6.050 1.697 -2.763 1.00 0.67 C ATOM 644 CG GLN A 41 -6.453 0.699 -3.850 1.00 0.69 C ATOM 645 CD GLN A 41 -5.250 0.187 -4.628 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.253 -0.243 -4.051 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.362 0.167 -5.984 1.00 0.61 N ATOM 0 H GLN A 41 -7.807 3.094 -3.546 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.597 1.445 -1.212 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.592 2.555 -3.255 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.277 1.228 -2.154 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.975 -0.142 -3.394 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.153 1.174 -4.537 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.203 0.532 -6.432 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.605 -0.213 -6.553 1.00 0.61 H new ATOM 656 N ARG A 42 -6.857 3.143 0.433 1.00 0.47 N ATOM 657 CA ARG A 42 -6.147 3.892 1.422 1.00 0.55 C ATOM 658 C ARG A 42 -5.027 3.122 2.031 1.00 0.46 C ATOM 659 O ARG A 42 -5.333 2.071 2.593 1.00 0.52 O ATOM 660 CB ARG A 42 -7.135 4.210 2.556 1.00 0.73 C ATOM 661 CG ARG A 42 -8.234 5.240 2.284 1.00 1.04 C ATOM 662 CD ARG A 42 -8.931 5.545 3.612 1.00 1.28 C ATOM 663 NE ARG A 42 -9.833 6.654 3.194 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.891 7.087 3.940 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.454 6.429 4.995 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.563 8.224 3.596 1.00 2.78 N ATOM 0 H ARG A 42 -7.634 2.590 0.795 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.735 4.778 0.939 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.617 3.278 2.850 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.558 4.556 3.414 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.808 6.149 1.859 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.949 4.853 1.558 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.480 4.687 3.999 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.230 5.851 4.388 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.650 7.115 2.302 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -11.083 5.526 5.290 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.246 6.840 5.489 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.276 8.758 2.776 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.352 8.540 4.159 1.00 2.78 H new ATOM 680 N LEU A 43 -3.721 3.439 1.983 1.00 0.46 N ATOM 681 CA LEU A 43 -2.704 2.618 2.566 1.00 0.42 C ATOM 682 C LEU A 43 -2.183 3.139 3.860 1.00 0.43 C ATOM 683 O LEU A 43 -1.624 4.228 3.984 1.00 0.55 O ATOM 684 CB LEU A 43 -1.434 2.531 1.704 1.00 0.55 C ATOM 685 CG LEU A 43 -1.724 1.855 0.353 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.542 2.021 -0.619 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.901 0.337 0.524 1.00 1.12 C ATOM 0 H LEU A 43 -3.364 4.281 1.531 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.217 1.662 2.675 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.037 3.532 1.535 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.667 1.969 2.237 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.628 2.328 -0.032 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.777 1.533 -1.565 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.361 3.082 -0.794 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.350 1.566 -0.188 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.105 -0.117 -0.446 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.989 -0.091 0.940 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.735 0.142 1.199 1.00 1.12 H new ATOM 699 N ILE A 44 -2.462 2.362 4.921 1.00 0.42 N ATOM 700 CA ILE A 44 -2.124 2.671 6.275 1.00 0.46 C ATOM 701 C ILE A 44 -0.859 1.974 6.647 1.00 0.42 C ATOM 702 O ILE A 44 -0.693 0.840 6.201 1.00 0.53 O ATOM 703 CB ILE A 44 -3.205 2.440 7.289 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.519 3.148 6.919 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.768 2.828 8.713 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.378 4.617 6.524 1.00 1.27 C ATOM 0 H ILE A 44 -2.949 1.471 4.829 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.983 3.752 6.303 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.391 1.366 7.278 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.983 2.609 6.093 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.201 3.080 7.767 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.586 2.641 9.408 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.903 2.232 9.003 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.505 3.886 8.737 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.360 5.024 6.282 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -3.947 5.177 7.354 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.726 4.699 5.654 1.00 1.27 H new ATOM 718 N PHE A 45 0.074 2.610 7.377 1.00 0.42 N ATOM 719 CA PHE A 45 1.287 2.026 7.858 1.00 0.46 C ATOM 720 C PHE A 45 1.720 2.845 9.026 1.00 0.68 C ATOM 721 O PHE A 45 1.757 4.074 8.968 1.00 1.50 O ATOM 722 CB PHE A 45 2.301 1.899 6.709 1.00 0.56 C ATOM 723 CG PHE A 45 3.700 1.571 7.101 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.006 0.264 7.404 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.704 2.508 7.175 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.246 -0.083 7.886 1.00 1.20 C ATOM 727 CE2 PHE A 45 5.987 2.203 7.568 1.00 1.33 C ATOM 728 CZ PHE A 45 6.195 0.908 7.981 1.00 1.02 C ATOM 0 H PHE A 45 -0.025 3.589 7.647 1.00 0.42 H new ATOM 0 HA PHE A 45 1.168 1.001 8.210 1.00 0.46 H new ATOM 0 HB2 PHE A 45 1.948 1.129 6.023 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.311 2.838 6.156 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.259 -0.503 7.261 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.475 3.530 6.913 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.467 -1.098 8.180 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.781 2.935 7.553 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.156 0.655 8.403 1.00 1.02 H new ATOM 738 N ALA A 46 2.023 2.204 10.168 1.00 0.81 N ATOM 739 CA ALA A 46 2.348 2.816 11.419 1.00 0.96 C ATOM 740 C ALA A 46 1.253 3.647 11.995 1.00 0.97 C ATOM 741 O ALA A 46 1.425 4.303 13.021 1.00 1.21 O ATOM 742 CB ALA A 46 3.603 3.703 11.353 1.00 1.20 C ATOM 0 H ALA A 46 2.042 1.186 10.220 1.00 0.81 H new ATOM 0 HA ALA A 46 2.526 1.957 12.065 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.794 4.137 12.335 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.459 3.100 11.050 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.447 4.501 10.628 1.00 1.20 H new ATOM 748 N GLY A 47 0.052 3.577 11.394 1.00 0.99 N ATOM 749 CA GLY A 47 -1.044 4.394 11.814 1.00 1.10 C ATOM 750 C GLY A 47 -1.494 5.455 10.869 1.00 1.03 C ATOM 751 O GLY A 47 -2.689 5.743 10.862 1.00 1.30 O ATOM 0 H GLY A 47 -0.161 2.953 10.615 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.893 3.743 12.022 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.770 4.871 12.755 1.00 1.10 H new ATOM 755 N LYS A 48 -0.551 5.951 10.048 1.00 0.98 N ATOM 756 CA LYS A 48 -0.865 6.964 9.089 1.00 1.05 C ATOM 757 C LYS A 48 -1.158 6.523 7.696 1.00 0.84 C ATOM 758 O LYS A 48 -0.661 5.538 7.152 1.00 0.81 O ATOM 759 CB LYS A 48 0.357 7.884 8.926 1.00 1.42 C ATOM 760 CG LYS A 48 1.677 7.326 8.391 1.00 1.61 C ATOM 761 CD LYS A 48 2.664 8.494 8.336 1.00 1.87 C ATOM 762 CE LYS A 48 4.078 7.986 8.053 1.00 2.22 C ATOM 763 NZ LYS A 48 5.068 9.014 8.444 1.00 2.55 N ATOM 0 H LYS A 48 0.424 5.652 10.048 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.770 7.414 9.498 1.00 1.05 H new ATOM 0 HB2 LYS A 48 0.061 8.700 8.267 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.564 8.322 9.903 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.052 6.534 9.039 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.539 6.890 7.402 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.362 9.197 7.560 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.648 9.036 9.281 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.260 7.064 8.605 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.184 7.750 6.994 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.028 8.664 8.250 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.900 9.883 7.898 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.973 9.219 9.459 1.00 2.55 H new ATOM 777 N GLN A 49 -1.950 7.340 6.977 1.00 0.84 N ATOM 778 CA GLN A 49 -2.442 7.328 5.634 1.00 0.80 C ATOM 779 C GLN A 49 -1.464 7.877 4.653 1.00 0.72 C ATOM 780 O GLN A 49 -1.224 9.080 4.579 1.00 0.83 O ATOM 781 CB GLN A 49 -3.856 7.931 5.601 1.00 1.03 C ATOM 782 CG GLN A 49 -4.487 7.799 4.213 1.00 1.67 C ATOM 783 CD GLN A 49 -5.779 8.584 4.039 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.798 8.364 4.692 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.791 9.665 3.214 1.00 2.48 N ATOM 0 H GLN A 49 -2.311 8.172 7.443 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.550 6.300 5.288 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.484 7.430 6.337 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.811 8.983 5.884 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.768 8.134 3.466 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.685 6.746 4.015 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.969 9.887 2.653 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.622 10.253 3.157 1.00 2.48 H new ATOM 794 N LEU A 50 -0.805 6.987 3.888 1.00 0.69 N ATOM 795 CA LEU A 50 0.235 7.355 2.979 1.00 0.66 C ATOM 796 C LEU A 50 -0.211 8.117 1.779 1.00 0.72 C ATOM 797 O LEU A 50 -1.264 7.967 1.162 1.00 0.90 O ATOM 798 CB LEU A 50 1.084 6.167 2.498 1.00 0.65 C ATOM 799 CG LEU A 50 1.510 5.175 3.595 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.232 4.029 2.867 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.391 5.782 4.699 1.00 0.74 C ATOM 0 H LEU A 50 -1.001 5.986 3.902 1.00 0.69 H new ATOM 0 HA LEU A 50 0.842 8.018 3.596 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.521 5.624 1.739 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.980 6.555 2.014 1.00 0.65 H new ATOM 0 HG LEU A 50 0.626 4.836 4.135 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.562 3.287 3.594 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.550 3.563 2.156 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.097 4.424 2.334 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.643 5.012 5.428 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.306 6.177 4.258 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.850 6.588 5.195 1.00 0.74 H new ATOM 813 N GLU A 51 0.639 9.089 1.404 1.00 0.70 N ATOM 814 CA GLU A 51 0.546 9.956 0.271 1.00 0.76 C ATOM 815 C GLU A 51 1.000 9.345 -1.010 1.00 0.77 C ATOM 816 O GLU A 51 2.046 8.705 -1.106 1.00 1.23 O ATOM 817 CB GLU A 51 1.190 11.350 0.366 1.00 0.88 C ATOM 818 CG GLU A 51 0.695 12.112 1.597 1.00 1.35 C ATOM 819 CD GLU A 51 1.593 13.322 1.812 1.00 1.46 C ATOM 820 OE1 GLU A 51 2.069 13.924 0.812 1.00 1.94 O ATOM 821 OE2 GLU A 51 1.629 13.874 2.944 1.00 1.89 O ATOM 0 H GLU A 51 1.476 9.285 1.952 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.533 10.107 0.278 1.00 0.76 H new ATOM 0 HB2 GLU A 51 2.274 11.249 0.411 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.960 11.921 -0.534 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.339 12.428 1.456 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.714 11.466 2.475 1.00 1.35 H new ATOM 828 N ASP A 52 0.292 9.663 -2.109 1.00 0.66 N ATOM 829 CA ASP A 52 0.520 9.154 -3.426 1.00 0.65 C ATOM 830 C ASP A 52 1.870 9.236 -4.052 1.00 0.60 C ATOM 831 O ASP A 52 2.481 8.181 -4.212 1.00 0.62 O ATOM 832 CB ASP A 52 -0.359 9.897 -4.446 1.00 0.81 C ATOM 833 CG ASP A 52 -1.755 9.317 -4.268 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.497 9.700 -3.325 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.161 8.462 -5.099 1.00 1.44 O ATOM 0 H ASP A 52 -0.489 10.318 -2.074 1.00 0.66 H new ATOM 0 HA ASP A 52 0.314 8.101 -3.235 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.353 10.971 -4.262 1.00 0.81 H new ATOM 0 HB3 ASP A 52 0.004 9.745 -5.463 1.00 0.81 H new ATOM 840 N GLY A 53 2.315 10.481 -4.299 1.00 0.68 N ATOM 841 CA GLY A 53 3.584 10.811 -4.869 1.00 0.73 C ATOM 842 C GLY A 53 4.634 10.974 -3.825 1.00 0.72 C ATOM 843 O GLY A 53 5.301 12.004 -3.745 1.00 0.97 O ATOM 0 H GLY A 53 1.754 11.306 -4.088 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.883 10.029 -5.567 1.00 0.73 H new ATOM 0 HA3 GLY A 53 3.496 11.733 -5.443 1.00 0.73 H new ATOM 847 N ARG A 54 4.789 10.032 -2.876 1.00 0.64 N ATOM 848 CA ARG A 54 5.903 9.985 -1.981 1.00 0.63 C ATOM 849 C ARG A 54 6.565 8.679 -2.264 1.00 0.59 C ATOM 850 O ARG A 54 5.914 7.719 -2.674 1.00 0.62 O ATOM 851 CB ARG A 54 5.496 10.004 -0.498 1.00 0.69 C ATOM 852 CG ARG A 54 4.722 11.291 -0.203 1.00 0.82 C ATOM 853 CD ARG A 54 5.577 12.560 -0.204 1.00 1.18 C ATOM 854 NE ARG A 54 4.857 13.566 0.625 1.00 1.50 N ATOM 855 CZ ARG A 54 5.410 14.565 1.372 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.765 14.659 1.512 1.00 2.49 N ATOM 857 NH2 ARG A 54 4.523 15.385 2.009 1.00 2.48 N ATOM 0 H ARG A 54 4.117 9.279 -2.727 1.00 0.64 H new ATOM 0 HA ARG A 54 6.535 10.859 -2.137 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.881 9.135 -0.267 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.381 9.945 0.135 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.930 11.401 -0.943 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.239 11.195 0.769 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.567 12.359 0.206 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.721 12.928 -1.220 1.00 1.18 H new ATOM 0 HE ARG A 54 3.839 13.501 0.636 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.373 13.979 1.056 1.00 2.49 H new ATOM 0 HH12 ARG A 54 7.169 15.409 2.072 1.00 2.49 H new ATOM 0 HH21 ARG A 54 3.520 15.228 1.908 1.00 2.48 H new ATOM 0 HH22 ARG A 54 4.863 16.154 2.586 1.00 2.48 H new ATOM 871 N THR A 55 7.899 8.681 -2.102 1.00 0.63 N ATOM 872 CA THR A 55 8.578 7.433 -2.268 1.00 0.61 C ATOM 873 C THR A 55 8.511 6.515 -1.097 1.00 0.59 C ATOM 874 O THR A 55 7.982 6.827 -0.032 1.00 0.64 O ATOM 875 CB THR A 55 9.992 7.511 -2.763 1.00 0.68 C ATOM 876 OG1 THR A 55 10.801 8.149 -1.785 1.00 0.75 O ATOM 877 CG2 THR A 55 10.054 8.307 -4.077 1.00 0.76 C ATOM 0 H THR A 55 8.478 9.488 -1.871 1.00 0.63 H new ATOM 0 HA THR A 55 7.984 7.000 -3.072 1.00 0.61 H new ATOM 0 HB THR A 55 10.359 6.501 -2.944 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.249 8.756 -1.249 1.00 0.75 H new ATOM 0 HG21 THR A 55 11.086 8.356 -4.425 1.00 0.76 H new ATOM 0 HG22 THR A 55 9.440 7.814 -4.831 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.680 9.317 -3.909 1.00 0.76 H new ATOM 885 N LEU A 56 9.010 5.272 -1.229 1.00 0.58 N ATOM 886 CA LEU A 56 9.167 4.334 -0.161 1.00 0.59 C ATOM 887 C LEU A 56 10.297 4.700 0.738 1.00 0.64 C ATOM 888 O LEU A 56 10.465 4.277 1.880 1.00 0.70 O ATOM 889 CB LEU A 56 9.325 2.901 -0.698 1.00 0.60 C ATOM 890 CG LEU A 56 8.089 2.490 -1.515 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.506 1.347 -2.455 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.923 2.026 -0.624 1.00 1.03 C ATOM 0 H LEU A 56 9.320 4.903 -2.128 1.00 0.58 H new ATOM 0 HA LEU A 56 8.256 4.370 0.436 1.00 0.59 H new ATOM 0 HB2 LEU A 56 10.217 2.837 -1.321 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.465 2.209 0.132 1.00 0.60 H new ATOM 0 HG LEU A 56 7.735 3.358 -2.072 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.648 1.033 -3.049 1.00 1.05 H new ATOM 0 HD12 LEU A 56 9.300 1.692 -3.118 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.867 0.504 -1.865 1.00 1.05 H new ATOM 0 HD21 LEU A 56 6.075 1.747 -1.250 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.237 1.165 -0.033 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.630 2.837 0.043 1.00 1.03 H new ATOM 904 N SER A 57 11.224 5.529 0.224 1.00 0.68 N ATOM 905 CA SER A 57 12.371 6.066 0.888 1.00 0.75 C ATOM 906 C SER A 57 11.971 7.064 1.919 1.00 0.76 C ATOM 907 O SER A 57 12.415 6.987 3.063 1.00 0.84 O ATOM 908 CB SER A 57 13.370 6.757 -0.056 1.00 0.84 C ATOM 909 OG SER A 57 14.666 6.852 0.515 1.00 1.19 O ATOM 0 H SER A 57 11.163 5.850 -0.742 1.00 0.68 H new ATOM 0 HA SER A 57 12.861 5.202 1.337 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.427 6.202 -0.992 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.007 7.756 -0.299 1.00 0.84 H new ATOM 0 HG SER A 57 15.270 7.295 -0.117 1.00 1.19 H new ATOM 915 N ASP A 58 11.101 8.022 1.551 1.00 0.75 N ATOM 916 CA ASP A 58 10.535 9.013 2.413 1.00 0.78 C ATOM 917 C ASP A 58 9.803 8.452 3.584 1.00 0.77 C ATOM 918 O ASP A 58 10.047 8.878 4.710 1.00 0.86 O ATOM 919 CB ASP A 58 9.441 9.789 1.660 1.00 0.83 C ATOM 920 CG ASP A 58 10.005 10.581 0.489 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.388 11.769 0.660 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.718 10.155 -0.660 1.00 1.86 O ATOM 0 H ASP A 58 10.772 8.109 0.589 1.00 0.75 H new ATOM 0 HA ASP A 58 11.387 9.610 2.737 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.687 9.091 1.296 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.939 10.469 2.349 1.00 0.83 H new ATOM 927 N TYR A 59 9.093 7.318 3.442 1.00 0.72 N ATOM 928 CA TYR A 59 8.373 6.618 4.460 1.00 0.73 C ATOM 929 C TYR A 59 9.133 5.536 5.150 1.00 0.76 C ATOM 930 O TYR A 59 8.632 4.874 6.058 1.00 0.89 O ATOM 931 CB TYR A 59 7.036 6.048 3.958 1.00 0.73 C ATOM 932 CG TYR A 59 6.060 7.134 3.662 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.663 8.001 4.652 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.428 7.122 2.440 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.664 8.909 4.391 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.365 7.967 2.224 1.00 0.70 C ATOM 937 CZ TYR A 59 3.995 8.872 3.190 1.00 0.74 C ATOM 938 OH TYR A 59 3.032 9.869 2.926 1.00 0.86 O ATOM 0 H TYR A 59 9.018 6.853 2.537 1.00 0.72 H new ATOM 0 HA TYR A 59 8.189 7.397 5.200 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.206 5.454 3.060 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.620 5.377 4.709 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.131 7.969 5.625 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.763 6.456 1.659 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.404 9.652 5.130 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.820 7.919 1.293 1.00 0.70 H new ATOM 0 HH TYR A 59 3.481 10.730 2.790 1.00 0.86 H new ATOM 948 N ASN A 60 10.433 5.412 4.833 1.00 0.74 N ATOM 949 CA ASN A 60 11.367 4.431 5.293 1.00 0.79 C ATOM 950 C ASN A 60 10.925 3.009 5.321 1.00 0.75 C ATOM 951 O ASN A 60 11.134 2.340 6.333 1.00 0.86 O ATOM 952 CB ASN A 60 12.203 4.932 6.483 1.00 0.95 C ATOM 953 CG ASN A 60 13.034 6.195 6.313 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.710 7.316 6.704 1.00 1.84 O ATOM 955 ND2 ASN A 60 14.201 5.897 5.682 1.00 1.83 N ATOM 0 H ASN A 60 10.874 6.068 4.188 1.00 0.74 H new ATOM 0 HA ASN A 60 12.076 4.332 4.471 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.523 5.094 7.319 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.879 4.128 6.773 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.885 6.632 5.501 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.392 4.939 5.390 1.00 1.83 H new ATOM 962 N ILE A 61 10.235 2.559 4.257 1.00 0.67 N ATOM 963 CA ILE A 61 9.679 1.245 4.168 1.00 0.65 C ATOM 964 C ILE A 61 10.814 0.376 3.748 1.00 0.66 C ATOM 965 O ILE A 61 11.467 0.651 2.742 1.00 0.75 O ATOM 966 CB ILE A 61 8.488 1.201 3.258 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.357 2.065 3.838 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.906 -0.218 3.136 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.445 2.642 2.757 1.00 0.82 C ATOM 0 H ILE A 61 10.058 3.130 3.431 1.00 0.67 H new ATOM 0 HA ILE A 61 9.270 0.894 5.115 1.00 0.65 H new ATOM 0 HB ILE A 61 8.831 1.556 2.286 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.763 1.465 4.527 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.789 2.881 4.417 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.045 -0.202 2.467 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.665 -0.889 2.734 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.595 -0.569 4.120 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.664 3.243 3.223 1.00 0.82 H new ATOM 0 HD12 ILE A 61 7.030 3.267 2.082 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.989 1.828 2.194 1.00 0.82 H new ATOM 981 N GLN A 62 10.954 -0.691 4.555 1.00 0.67 N ATOM 982 CA GLN A 62 12.058 -1.587 4.405 1.00 0.70 C ATOM 983 C GLN A 62 11.636 -2.875 3.785 1.00 0.62 C ATOM 984 O GLN A 62 10.440 -3.122 3.639 1.00 0.64 O ATOM 985 CB GLN A 62 12.936 -1.725 5.660 1.00 0.85 C ATOM 986 CG GLN A 62 13.170 -0.422 6.429 1.00 1.27 C ATOM 987 CD GLN A 62 14.370 -0.576 7.353 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.482 -0.127 7.082 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.057 -1.323 8.445 1.00 2.16 N ATOM 0 H GLN A 62 10.308 -0.932 5.306 1.00 0.67 H new ATOM 0 HA GLN A 62 12.741 -1.125 3.692 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.473 -2.448 6.332 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.902 -2.135 5.366 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.340 0.397 5.731 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.283 -0.167 7.009 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.101 -1.650 8.582 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.778 -1.556 9.127 1.00 2.16 H new ATOM 998 N LYS A 63 12.613 -3.781 3.604 1.00 0.64 N ATOM 999 CA LYS A 63 12.403 -5.142 3.217 1.00 0.62 C ATOM 1000 C LYS A 63 11.748 -5.943 4.289 1.00 0.59 C ATOM 1001 O LYS A 63 12.188 -5.887 5.436 1.00 0.66 O ATOM 1002 CB LYS A 63 13.675 -5.783 2.638 1.00 0.74 C ATOM 1003 CG LYS A 63 14.891 -5.717 3.565 1.00 0.89 C ATOM 1004 CD LYS A 63 15.811 -6.886 3.209 1.00 1.11 C ATOM 1005 CE LYS A 63 16.910 -7.317 4.182 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.248 -7.657 5.461 1.00 2.12 N ATOM 0 H LYS A 63 13.599 -3.553 3.734 1.00 0.64 H new ATOM 0 HA LYS A 63 11.687 -5.138 2.395 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.467 -6.827 2.404 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.922 -5.289 1.698 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.414 -4.768 3.443 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.581 -5.778 4.608 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.177 -7.755 3.030 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.293 -6.643 2.262 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.456 -8.175 3.791 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.635 -6.516 4.324 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.908 -8.189 6.063 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.964 -6.783 5.948 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.406 -8.238 5.273 1.00 2.12 H new ATOM 1020 N GLU A 64 10.664 -6.643 3.912 1.00 0.57 N ATOM 1021 CA GLU A 64 9.887 -7.527 4.727 1.00 0.58 C ATOM 1022 C GLU A 64 8.818 -6.797 5.463 1.00 0.56 C ATOM 1023 O GLU A 64 8.065 -7.319 6.284 1.00 0.70 O ATOM 1024 CB GLU A 64 10.744 -8.350 5.704 1.00 0.72 C ATOM 1025 CG GLU A 64 10.155 -9.628 6.302 1.00 0.96 C ATOM 1026 CD GLU A 64 11.291 -10.494 6.829 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.445 -10.022 7.015 1.00 1.71 O ATOM 1028 OE2 GLU A 64 11.005 -11.710 6.998 1.00 1.69 O ATOM 0 H GLU A 64 10.302 -6.586 2.960 1.00 0.57 H new ATOM 0 HA GLU A 64 9.418 -8.230 4.039 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.665 -8.621 5.188 1.00 0.72 H new ATOM 0 HB3 GLU A 64 11.022 -7.696 6.531 1.00 0.72 H new ATOM 0 HG2 GLU A 64 9.463 -9.383 7.107 1.00 0.96 H new ATOM 0 HG3 GLU A 64 9.586 -10.171 5.547 1.00 0.96 H new ATOM 1035 N SER A 65 8.533 -5.513 5.181 1.00 0.51 N ATOM 1036 CA SER A 65 7.636 -4.638 5.870 1.00 0.51 C ATOM 1037 C SER A 65 6.235 -4.799 5.389 1.00 0.43 C ATOM 1038 O SER A 65 5.997 -4.829 4.183 1.00 0.50 O ATOM 1039 CB SER A 65 7.967 -3.146 5.701 1.00 0.65 C ATOM 1040 OG SER A 65 7.162 -2.292 6.498 1.00 1.04 O ATOM 0 H SER A 65 8.976 -5.044 4.391 1.00 0.51 H new ATOM 0 HA SER A 65 7.748 -4.924 6.916 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.015 -2.984 5.954 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.846 -2.872 4.653 1.00 0.65 H new ATOM 0 HG SER A 65 7.517 -1.379 6.461 1.00 1.04 H new ATOM 1046 N THR A 66 5.251 -4.875 6.303 1.00 0.45 N ATOM 1047 CA THR A 66 3.867 -5.074 6.001 1.00 0.45 C ATOM 1048 C THR A 66 3.129 -3.781 6.047 1.00 0.43 C ATOM 1049 O THR A 66 2.982 -3.115 7.071 1.00 0.58 O ATOM 1050 CB THR A 66 3.202 -6.051 6.925 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.696 -7.379 6.838 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.688 -6.239 6.736 1.00 0.78 C ATOM 0 H THR A 66 5.430 -4.793 7.304 1.00 0.45 H new ATOM 0 HA THR A 66 3.833 -5.491 4.995 1.00 0.45 H new ATOM 0 HB THR A 66 3.432 -5.568 7.875 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.213 -7.950 7.471 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.319 -6.967 7.458 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.181 -5.286 6.890 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.489 -6.597 5.726 1.00 0.78 H new ATOM 1060 N LEU A 67 2.527 -3.462 4.886 1.00 0.38 N ATOM 1061 CA LEU A 67 1.650 -2.334 4.852 1.00 0.38 C ATOM 1062 C LEU A 67 0.229 -2.746 5.029 1.00 0.37 C ATOM 1063 O LEU A 67 -0.084 -3.935 5.059 1.00 0.50 O ATOM 1064 CB LEU A 67 1.731 -1.623 3.491 1.00 0.46 C ATOM 1065 CG LEU A 67 3.041 -0.979 3.004 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.834 -0.327 1.626 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.665 0.108 3.894 1.00 1.31 C ATOM 0 H LEU A 67 2.640 -3.962 4.004 1.00 0.38 H new ATOM 0 HA LEU A 67 1.964 -1.676 5.662 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.433 -2.349 2.735 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.974 -0.839 3.496 1.00 0.46 H new ATOM 0 HG LEU A 67 3.729 -1.824 3.004 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.768 0.125 1.293 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.522 -1.085 0.908 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.065 0.442 1.699 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.582 0.474 3.432 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.962 0.933 4.008 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.895 -0.311 4.874 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.711 -1.807 5.236 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.052 -2.189 5.550 1.00 0.37 C ATOM 1081 C HIS A 68 -3.072 -1.578 4.654 1.00 0.35 C ATOM 1082 O HIS A 68 -3.326 -0.376 4.720 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.408 -1.910 7.020 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.372 -2.307 8.029 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.369 -1.387 8.260 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.147 -3.323 8.903 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.474 -1.931 9.179 1.00 1.41 C ATOM 1088 NE2 HIS A 68 0.003 -3.080 9.626 1.00 1.51 N ATOM 0 H HIS A 68 -0.548 -0.801 5.187 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.079 -3.266 5.382 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.606 -0.844 7.130 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.336 -2.432 7.255 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.277 -0.470 7.823 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -1.776 -4.193 9.015 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.403 -1.483 9.499 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.737 -2.364 3.787 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.666 -1.839 2.836 1.00 0.38 C ATOM 1098 C LEU A 69 -6.010 -1.753 3.475 1.00 0.41 C ATOM 1099 O LEU A 69 -6.714 -2.743 3.669 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.666 -2.756 1.602 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.724 -2.444 0.531 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.624 -1.003 0.000 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.639 -3.420 -0.656 1.00 1.14 C ATOM 0 H LEU A 69 -3.628 -3.377 3.746 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.387 -0.836 2.513 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.681 -2.706 1.137 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.809 -3.783 1.937 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.686 -2.562 1.030 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.395 -0.838 -0.753 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.765 -0.302 0.822 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.642 -0.847 -0.446 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.403 -3.166 -1.391 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.654 -3.348 -1.117 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.800 -4.438 -0.302 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.470 -0.507 3.680 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.767 -0.073 4.099 1.00 0.56 C ATOM 1117 C VAL A 70 -8.533 0.556 2.987 1.00 0.55 C ATOM 1118 O VAL A 70 -7.995 1.319 2.187 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.597 0.919 5.212 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -8.871 1.482 5.864 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.525 0.501 6.233 1.00 0.97 C ATOM 0 H VAL A 70 -5.854 0.292 3.533 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.332 -0.944 4.431 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.220 1.792 4.679 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.597 2.185 6.651 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.469 1.995 5.111 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.451 0.665 6.293 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.450 1.259 7.012 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.802 -0.454 6.681 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.563 0.401 5.730 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.799 0.149 2.783 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.556 0.673 1.687 1.00 0.84 C ATOM 1133 C LEU A 71 -11.632 1.587 2.161 1.00 0.85 C ATOM 1134 O LEU A 71 -11.772 1.763 3.370 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.201 -0.405 0.799 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.279 -1.571 0.404 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.055 -2.771 -0.165 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.143 -1.091 -0.516 1.00 2.78 C ATOM 0 H LEU A 71 -10.292 -0.530 3.364 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.826 1.213 1.084 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.068 -0.810 1.320 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.569 0.070 -0.111 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.810 -1.943 1.315 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.356 -3.565 -0.427 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.757 -3.138 0.584 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.603 -2.461 -1.055 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.507 -1.936 -0.780 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.567 -0.659 -1.423 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.550 -0.337 0.002 1.00 2.78 H new