USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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+ 170:sc= 0.313 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot -176:sc= 0.305 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.575 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 175:sc= -0.0642 (180deg=-0.154) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.28 (180deg=1.1) USER MOD Single : A 2 GLN : amide:sc=-0.00674 K(o=-0.0067,f=-0.89) USER MOD Single : A 11 LYS NZ :NH3+ -140:sc= 0.72 (180deg=-0.0123) USER MOD Single : A 14 THR OG1 : rot -95:sc= 0.366 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 25 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.5!) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 1.16 (180deg=-0.148) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.231 K(o=-0.23,f=-0.85) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0518 K(o=-0.052,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 1.06 K(o=1.1,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.905 K(o=-0.9,f=-2.6!) USER MOD Single : A 55 THR OG1 : rot -57:sc= 1.29 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.594 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 118:sc= 0.6 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.78 K(o=0.78,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.891 -4.772 -3.954 1.00 0.78 N ATOM 2 CA MET A 1 12.638 -5.452 -2.664 1.00 0.70 C ATOM 3 C MET A 1 11.200 -5.822 -2.535 1.00 0.62 C ATOM 4 O MET A 1 10.344 -5.144 -3.101 1.00 0.68 O ATOM 5 CB MET A 1 13.038 -4.632 -1.426 1.00 0.75 C ATOM 6 CG MET A 1 12.323 -3.298 -1.205 1.00 0.79 C ATOM 7 SD MET A 1 13.171 -2.239 0.005 1.00 1.10 S ATOM 8 CE MET A 1 11.741 -1.122 -0.076 1.00 0.84 C ATOM 0 H1 MET A 1 13.741 -4.178 -3.873 1.00 0.78 H new ATOM 0 H2 MET A 1 13.035 -5.483 -4.699 1.00 0.78 H new ATOM 0 H3 MET A 1 12.075 -4.176 -4.198 1.00 0.78 H new ATOM 0 HA MET A 1 13.273 -6.338 -2.688 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.875 -5.252 -0.544 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.108 -4.435 -1.484 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.248 -2.769 -2.155 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.305 -3.488 -0.865 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.862 -0.322 0.655 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.671 -0.693 -1.075 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.831 -1.680 0.144 1.00 0.84 H new ATOM 20 N GLN A 2 10.892 -6.852 -1.728 1.00 0.59 N ATOM 21 CA GLN A 2 9.523 -7.213 -1.520 1.00 0.56 C ATOM 22 C GLN A 2 8.950 -6.444 -0.379 1.00 0.50 C ATOM 23 O GLN A 2 9.729 -6.079 0.499 1.00 0.60 O ATOM 24 CB GLN A 2 9.452 -8.737 -1.327 1.00 0.71 C ATOM 25 CG GLN A 2 9.200 -9.490 -2.635 1.00 1.15 C ATOM 26 CD GLN A 2 9.279 -11.004 -2.517 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.076 -11.493 -1.717 1.00 1.87 O ATOM 28 NE2 GLN A 2 8.534 -11.722 -3.399 1.00 1.72 N ATOM 0 H GLN A 2 11.573 -7.424 -1.229 1.00 0.59 H new ATOM 0 HA GLN A 2 8.913 -6.954 -2.385 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.386 -9.087 -0.886 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.657 -8.972 -0.619 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.214 -9.219 -3.011 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.927 -9.158 -3.376 1.00 1.15 H new ATOM 0 HE21 GLN A 2 7.893 -11.244 -4.033 1.00 1.72 H new ATOM 0 HE22 GLN A 2 8.616 -12.738 -3.427 1.00 1.72 H new ATOM 37 N ILE A 3 7.641 -6.137 -0.362 1.00 0.44 N ATOM 38 CA ILE A 3 6.927 -5.495 0.698 1.00 0.42 C ATOM 39 C ILE A 3 5.616 -6.201 0.762 1.00 0.40 C ATOM 40 O ILE A 3 5.141 -6.786 -0.210 1.00 0.50 O ATOM 41 CB ILE A 3 6.656 -4.021 0.643 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.123 -3.573 -0.729 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.011 -3.368 0.962 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.458 -2.200 -0.640 1.00 0.72 C ATOM 0 H ILE A 3 7.035 -6.356 -1.153 1.00 0.44 H new ATOM 0 HA ILE A 3 7.587 -5.566 1.562 1.00 0.42 H new ATOM 0 HB ILE A 3 5.877 -3.730 1.348 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.942 -3.538 -1.447 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.405 -4.305 -1.100 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.906 -2.283 0.943 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.343 -3.683 1.951 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.746 -3.674 0.218 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.091 -1.909 -1.624 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.624 -2.245 0.060 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.185 -1.466 -0.292 1.00 0.72 H new ATOM 56 N PHE A 4 5.113 -6.340 2.001 1.00 0.37 N ATOM 57 CA PHE A 4 3.834 -6.979 2.007 1.00 0.38 C ATOM 58 C PHE A 4 2.769 -5.960 2.233 1.00 0.39 C ATOM 59 O PHE A 4 2.900 -5.048 3.047 1.00 0.60 O ATOM 60 CB PHE A 4 3.794 -8.022 3.135 1.00 0.45 C ATOM 61 CG PHE A 4 4.952 -8.960 3.179 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.069 -9.956 2.238 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.930 -8.851 4.138 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.204 -10.730 2.181 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.035 -9.669 4.165 1.00 1.40 C ATOM 66 CZ PHE A 4 7.080 -10.685 3.240 1.00 0.85 C ATOM 0 H PHE A 4 5.523 -6.054 2.890 1.00 0.37 H new ATOM 0 HA PHE A 4 3.666 -7.470 1.049 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.736 -7.498 4.089 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.879 -8.606 3.035 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.264 -10.131 1.539 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.827 -8.093 4.900 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.403 -11.358 1.325 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.831 -9.520 4.880 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.819 -11.465 3.347 1.00 0.85 H new ATOM 76 N VAL A 5 1.619 -6.026 1.539 1.00 0.35 N ATOM 77 CA VAL A 5 0.422 -5.293 1.813 1.00 0.35 C ATOM 78 C VAL A 5 -0.651 -6.234 2.243 1.00 0.35 C ATOM 79 O VAL A 5 -1.228 -7.005 1.479 1.00 0.46 O ATOM 80 CB VAL A 5 0.136 -4.379 0.658 1.00 0.44 C ATOM 81 CG1 VAL A 5 -0.974 -3.402 1.083 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.454 -3.673 0.298 1.00 0.56 C ATOM 0 H VAL A 5 1.520 -6.636 0.728 1.00 0.35 H new ATOM 0 HA VAL A 5 0.515 -4.617 2.663 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.219 -4.907 -0.227 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.199 -2.726 0.258 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.870 -3.963 1.348 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.640 -2.824 1.944 1.00 0.58 H new ATOM 0 HG21 VAL A 5 1.287 -2.997 -0.541 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.809 -3.104 1.158 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.201 -4.417 0.022 1.00 0.56 H new ATOM 92 N LYS A 6 -1.036 -6.199 3.531 1.00 0.36 N ATOM 93 CA LYS A 6 -2.027 -7.073 4.079 1.00 0.39 C ATOM 94 C LYS A 6 -3.387 -6.470 3.987 1.00 0.46 C ATOM 95 O LYS A 6 -3.503 -5.276 4.258 1.00 0.53 O ATOM 96 CB LYS A 6 -1.669 -7.352 5.548 1.00 0.54 C ATOM 97 CG LYS A 6 -0.627 -8.456 5.742 1.00 1.22 C ATOM 98 CD LYS A 6 -0.441 -8.722 7.238 1.00 1.37 C ATOM 99 CE LYS A 6 0.068 -10.068 7.760 1.00 1.93 C ATOM 100 NZ LYS A 6 1.252 -10.564 7.024 1.00 2.09 N ATOM 0 H LYS A 6 -0.648 -5.545 4.210 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.042 -8.003 3.510 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.296 -6.433 6.000 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.577 -7.626 6.086 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.948 -9.367 5.237 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.321 -8.159 5.293 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.243 -7.960 7.611 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.406 -8.544 7.712 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.318 -9.970 8.816 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.732 -10.805 7.689 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.652 -11.384 7.523 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.970 -10.846 6.063 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 1.967 -9.810 6.968 1.00 2.09 H new ATOM 114 N THR A 7 -4.438 -7.224 3.621 1.00 0.58 N ATOM 115 CA THR A 7 -5.741 -6.634 3.588 1.00 0.78 C ATOM 116 C THR A 7 -6.443 -6.566 4.900 1.00 0.94 C ATOM 117 O THR A 7 -5.946 -6.886 5.980 1.00 0.99 O ATOM 118 CB THR A 7 -6.512 -7.231 2.448 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.706 -8.625 2.637 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.774 -7.135 1.102 1.00 0.92 C ATOM 0 H THR A 7 -4.393 -8.208 3.356 1.00 0.58 H new ATOM 0 HA THR A 7 -5.637 -5.568 3.387 1.00 0.78 H new ATOM 0 HB THR A 7 -7.443 -6.665 2.429 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.212 -8.990 1.882 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.385 -7.585 0.319 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.590 -6.088 0.862 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.824 -7.664 1.170 1.00 0.92 H new ATOM 128 N LEU A 8 -7.708 -6.117 4.979 1.00 1.17 N ATOM 129 CA LEU A 8 -8.688 -6.183 6.018 1.00 1.39 C ATOM 130 C LEU A 8 -8.804 -7.587 6.501 1.00 1.44 C ATOM 131 O LEU A 8 -8.634 -7.911 7.675 1.00 1.60 O ATOM 132 CB LEU A 8 -10.044 -5.561 5.643 1.00 1.66 C ATOM 133 CG LEU A 8 -10.110 -4.028 5.752 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.209 -3.354 4.914 1.00 2.53 C ATOM 135 CD2 LEU A 8 -10.111 -3.519 7.203 1.00 2.43 C ATOM 0 H LEU A 8 -8.101 -5.627 4.175 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.340 -5.557 6.840 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.288 -5.848 4.620 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.813 -5.989 6.286 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.172 -3.711 5.295 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.169 -2.275 5.062 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.053 -3.581 3.859 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.185 -3.727 5.226 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -10.159 -2.430 7.207 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.976 -3.922 7.729 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -9.199 -3.844 7.703 1.00 2.43 H new ATOM 147 N THR A 9 -9.087 -8.549 5.603 1.00 1.41 N ATOM 148 CA THR A 9 -9.294 -9.894 6.044 1.00 1.51 C ATOM 149 C THR A 9 -8.003 -10.507 6.463 1.00 1.37 C ATOM 150 O THR A 9 -7.959 -11.280 7.420 1.00 1.62 O ATOM 151 CB THR A 9 -9.928 -10.915 5.146 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.258 -10.827 3.897 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.371 -10.478 4.844 1.00 2.08 C ATOM 0 H THR A 9 -9.171 -8.402 4.597 1.00 1.41 H new ATOM 0 HA THR A 9 -10.030 -9.704 6.825 1.00 1.51 H new ATOM 0 HB THR A 9 -9.886 -11.903 5.605 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.639 -11.481 3.274 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.844 -11.212 4.192 1.00 2.08 H new ATOM 0 HG22 THR A 9 -11.932 -10.406 5.776 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.361 -9.506 4.350 1.00 2.08 H new ATOM 161 N GLY A 10 -6.894 -10.089 5.827 1.00 1.18 N ATOM 162 CA GLY A 10 -5.572 -10.463 6.223 1.00 1.22 C ATOM 163 C GLY A 10 -4.835 -11.081 5.086 1.00 0.99 C ATOM 164 O GLY A 10 -3.870 -11.811 5.303 1.00 1.31 O ATOM 0 H GLY A 10 -6.918 -9.473 5.014 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.032 -9.585 6.578 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -5.622 -11.165 7.055 1.00 1.22 H new ATOM 168 N LYS A 11 -5.150 -10.813 3.806 1.00 0.73 N ATOM 169 CA LYS A 11 -4.414 -11.431 2.747 1.00 0.60 C ATOM 170 C LYS A 11 -3.094 -10.755 2.604 1.00 0.51 C ATOM 171 O LYS A 11 -3.021 -9.593 2.209 1.00 0.63 O ATOM 172 CB LYS A 11 -5.123 -11.279 1.390 1.00 0.75 C ATOM 173 CG LYS A 11 -4.682 -12.203 0.253 1.00 0.87 C ATOM 174 CD LYS A 11 -5.829 -12.382 -0.745 1.00 1.04 C ATOM 175 CE LYS A 11 -6.053 -11.111 -1.567 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.718 -11.535 -2.820 1.00 1.40 N ATOM 0 H LYS A 11 -5.896 -10.184 3.508 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.318 -12.487 3.002 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.191 -11.429 1.550 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.992 -10.250 1.056 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.811 -11.784 -0.251 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.383 -13.171 0.654 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.607 -13.215 -1.412 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.743 -12.637 -0.210 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.672 -10.399 -1.021 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.106 -10.614 -1.779 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -6.326 -10.998 -3.620 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.556 -12.551 -2.972 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -7.740 -11.354 -2.749 1.00 1.40 H new ATOM 190 N THR A 12 -1.996 -11.502 2.821 1.00 0.49 N ATOM 191 CA THR A 12 -0.669 -11.005 2.631 1.00 0.48 C ATOM 192 C THR A 12 -0.284 -10.878 1.198 1.00 0.52 C ATOM 193 O THR A 12 0.332 -11.713 0.538 1.00 0.72 O ATOM 194 CB THR A 12 0.371 -11.829 3.332 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.057 -11.956 4.679 1.00 0.77 O ATOM 196 CG2 THR A 12 1.732 -11.113 3.381 1.00 0.78 C ATOM 0 H THR A 12 -2.032 -12.472 3.135 1.00 0.49 H new ATOM 0 HA THR A 12 -0.698 -10.010 3.075 1.00 0.48 H new ATOM 0 HB THR A 12 0.484 -12.777 2.805 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.624 -12.436 5.195 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.456 -11.743 3.897 1.00 0.78 H new ATOM 0 HG22 THR A 12 2.078 -10.919 2.366 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.627 -10.169 3.915 1.00 0.78 H new ATOM 204 N ILE A 13 -0.551 -9.700 0.606 1.00 0.48 N ATOM 205 CA ILE A 13 -0.228 -9.474 -0.768 1.00 0.55 C ATOM 206 C ILE A 13 1.207 -9.082 -0.857 1.00 0.51 C ATOM 207 O ILE A 13 1.641 -8.128 -0.216 1.00 0.56 O ATOM 208 CB ILE A 13 -1.104 -8.462 -1.447 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.589 -8.433 -1.047 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.860 -8.697 -2.947 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.394 -7.389 -1.821 1.00 1.55 C ATOM 0 H ILE A 13 -0.988 -8.908 1.076 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.411 -10.405 -1.305 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.827 -7.459 -1.121 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -3.025 -9.418 -1.215 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.668 -8.227 0.020 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.462 -7.998 -3.527 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.195 -8.541 -3.173 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.140 -9.718 -3.205 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.434 -7.416 -1.495 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.981 -6.398 -1.633 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.342 -7.607 -2.888 1.00 1.55 H new ATOM 223 N THR A 14 2.034 -9.766 -1.668 1.00 0.55 N ATOM 224 CA THR A 14 3.414 -9.444 -1.867 1.00 0.54 C ATOM 225 C THR A 14 3.685 -8.713 -3.136 1.00 0.55 C ATOM 226 O THR A 14 3.132 -9.139 -4.148 1.00 0.72 O ATOM 227 CB THR A 14 4.442 -10.535 -1.808 1.00 0.67 C ATOM 228 OG1 THR A 14 4.294 -11.370 -0.669 1.00 1.08 O ATOM 229 CG2 THR A 14 5.884 -10.014 -1.694 1.00 1.03 C ATOM 0 H THR A 14 1.729 -10.576 -2.207 1.00 0.55 H new ATOM 0 HA THR A 14 3.543 -8.832 -0.974 1.00 0.54 H new ATOM 0 HB THR A 14 4.276 -11.069 -2.743 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.883 -11.054 0.047 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.574 -10.857 -1.656 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.116 -9.394 -2.560 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.986 -9.421 -0.785 1.00 1.03 H new ATOM 237 N LEU A 15 4.392 -7.573 -3.042 1.00 0.50 N ATOM 238 CA LEU A 15 4.638 -6.746 -4.182 1.00 0.55 C ATOM 239 C LEU A 15 6.108 -6.505 -4.191 1.00 0.52 C ATOM 240 O LEU A 15 6.732 -6.697 -3.147 1.00 0.58 O ATOM 241 CB LEU A 15 3.937 -5.382 -4.059 1.00 0.69 C ATOM 242 CG LEU A 15 2.441 -5.321 -4.407 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.475 -5.990 -3.414 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.023 -3.847 -4.527 1.00 1.55 C ATOM 0 H LEU A 15 4.795 -7.223 -2.173 1.00 0.50 H new ATOM 0 HA LEU A 15 4.266 -7.232 -5.084 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.059 -5.032 -3.034 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.461 -4.675 -4.702 1.00 0.69 H new ATOM 0 HG LEU A 15 2.355 -5.887 -5.334 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.451 -5.879 -3.771 1.00 1.38 H new ATOM 0 HD12 LEU A 15 1.717 -7.049 -3.329 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.572 -5.516 -2.437 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.963 -3.788 -4.774 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.204 -3.339 -3.580 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.606 -3.366 -5.313 1.00 1.55 H new ATOM 256 N GLU A 16 6.698 -6.221 -5.365 1.00 0.59 N ATOM 257 CA GLU A 16 8.057 -5.805 -5.521 1.00 0.63 C ATOM 258 C GLU A 16 8.022 -4.326 -5.704 1.00 0.65 C ATOM 259 O GLU A 16 7.202 -3.891 -6.511 1.00 0.81 O ATOM 260 CB GLU A 16 8.849 -6.295 -6.746 1.00 0.76 C ATOM 261 CG GLU A 16 9.070 -7.808 -6.730 1.00 1.41 C ATOM 262 CD GLU A 16 10.183 -8.229 -7.680 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.376 -7.897 -7.448 1.00 1.92 O ATOM 264 OE2 GLU A 16 9.793 -8.866 -8.694 1.00 1.95 O ATOM 0 H GLU A 16 6.200 -6.285 -6.253 1.00 0.59 H new ATOM 0 HA GLU A 16 8.554 -6.220 -4.644 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.315 -6.018 -7.655 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.814 -5.790 -6.777 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.316 -8.128 -5.718 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.145 -8.313 -7.008 1.00 1.41 H new ATOM 271 N VAL A 17 8.847 -3.625 -4.904 1.00 0.61 N ATOM 272 CA VAL A 17 8.976 -2.202 -4.914 1.00 0.63 C ATOM 273 C VAL A 17 10.430 -1.882 -4.863 1.00 0.65 C ATOM 274 O VAL A 17 11.248 -2.659 -4.373 1.00 0.76 O ATOM 275 CB VAL A 17 8.275 -1.595 -3.734 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.765 -1.876 -3.814 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.922 -1.947 -2.383 1.00 0.92 C ATOM 0 H VAL A 17 9.453 -4.074 -4.217 1.00 0.61 H new ATOM 0 HA VAL A 17 8.520 -1.792 -5.815 1.00 0.63 H new ATOM 0 HB VAL A 17 8.400 -0.513 -3.787 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.266 -1.431 -2.953 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.362 -1.444 -4.730 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.595 -2.953 -3.816 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.362 -1.473 -1.577 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.912 -3.028 -2.245 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.951 -1.589 -2.368 1.00 0.92 H new ATOM 287 N GLU A 18 10.857 -0.699 -5.340 1.00 0.68 N ATOM 288 CA GLU A 18 12.136 -0.163 -4.993 1.00 0.74 C ATOM 289 C GLU A 18 11.791 0.937 -4.048 1.00 0.71 C ATOM 290 O GLU A 18 10.632 1.344 -3.974 1.00 0.74 O ATOM 291 CB GLU A 18 12.767 0.499 -6.228 1.00 0.88 C ATOM 292 CG GLU A 18 13.383 -0.568 -7.135 1.00 1.16 C ATOM 293 CD GLU A 18 14.731 -1.103 -6.675 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.593 -0.274 -6.276 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.966 -2.340 -6.677 1.00 2.33 O ATOM 0 H GLU A 18 10.312 -0.111 -5.970 1.00 0.68 H new ATOM 0 HA GLU A 18 12.817 -0.918 -4.601 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.011 1.062 -6.776 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.532 1.211 -5.918 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.686 -1.402 -7.215 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.497 -0.151 -8.136 1.00 1.16 H new ATOM 302 N PRO A 19 12.592 1.373 -3.122 1.00 0.74 N ATOM 303 CA PRO A 19 12.188 2.397 -2.203 1.00 0.74 C ATOM 304 C PRO A 19 12.038 3.772 -2.757 1.00 0.70 C ATOM 305 O PRO A 19 11.543 4.686 -2.100 1.00 0.74 O ATOM 306 CB PRO A 19 13.246 2.376 -1.102 1.00 0.86 C ATOM 307 CG PRO A 19 14.455 1.929 -1.939 1.00 0.95 C ATOM 308 CD PRO A 19 13.991 0.978 -3.053 1.00 0.82 C ATOM 0 HA PRO A 19 11.176 2.171 -1.865 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.392 3.352 -0.640 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.007 1.676 -0.301 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.951 2.798 -2.372 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.186 1.430 -1.302 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.521 1.139 -3.992 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.120 -0.072 -2.791 1.00 0.82 H new ATOM 316 N SER A 20 12.536 3.963 -3.991 1.00 0.70 N ATOM 317 CA SER A 20 12.345 5.219 -4.648 1.00 0.74 C ATOM 318 C SER A 20 11.086 5.183 -5.443 1.00 0.71 C ATOM 319 O SER A 20 10.785 6.197 -6.072 1.00 0.80 O ATOM 320 CB SER A 20 13.520 5.484 -5.604 1.00 0.89 C ATOM 321 OG SER A 20 13.942 4.460 -6.492 1.00 1.45 O ATOM 0 H SER A 20 13.058 3.267 -4.524 1.00 0.70 H new ATOM 0 HA SER A 20 12.289 6.007 -3.897 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.260 6.354 -6.208 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.380 5.764 -4.995 1.00 0.89 H new ATOM 0 HG SER A 20 14.694 4.784 -7.031 1.00 1.45 H new ATOM 327 N ASP A 21 10.236 4.144 -5.370 1.00 0.70 N ATOM 328 CA ASP A 21 8.954 4.068 -5.999 1.00 0.73 C ATOM 329 C ASP A 21 7.944 4.792 -5.178 1.00 0.64 C ATOM 330 O ASP A 21 7.903 4.826 -3.949 1.00 0.66 O ATOM 331 CB ASP A 21 8.481 2.605 -6.049 1.00 0.87 C ATOM 332 CG ASP A 21 9.147 1.747 -7.115 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.983 2.316 -7.866 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.847 0.550 -7.366 1.00 1.50 O ATOM 0 H ASP A 21 10.459 3.303 -4.837 1.00 0.70 H new ATOM 0 HA ASP A 21 9.047 4.497 -6.997 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.658 2.149 -5.075 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.404 2.593 -6.216 1.00 0.87 H new ATOM 339 N THR A 22 6.961 5.414 -5.855 1.00 0.63 N ATOM 340 CA THR A 22 6.016 6.235 -5.165 1.00 0.58 C ATOM 341 C THR A 22 4.857 5.444 -4.663 1.00 0.53 C ATOM 342 O THR A 22 4.588 4.344 -5.143 1.00 0.58 O ATOM 343 CB THR A 22 5.405 7.326 -5.993 1.00 0.63 C ATOM 344 OG1 THR A 22 5.265 6.918 -7.345 1.00 0.70 O ATOM 345 CG2 THR A 22 6.448 8.454 -6.085 1.00 0.75 C ATOM 0 H THR A 22 6.822 5.350 -6.863 1.00 0.63 H new ATOM 0 HA THR A 22 6.617 6.668 -4.365 1.00 0.58 H new ATOM 0 HB THR A 22 4.449 7.599 -5.547 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.863 7.644 -7.866 1.00 0.70 H new ATOM 0 HG21 THR A 22 6.046 9.273 -6.681 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.683 8.815 -5.084 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.355 8.074 -6.556 1.00 0.75 H new ATOM 353 N ILE A 23 4.123 5.966 -3.665 1.00 0.51 N ATOM 354 CA ILE A 23 2.930 5.375 -3.143 1.00 0.48 C ATOM 355 C ILE A 23 1.866 5.201 -4.172 1.00 0.48 C ATOM 356 O ILE A 23 1.221 4.154 -4.212 1.00 0.51 O ATOM 357 CB ILE A 23 2.456 6.188 -1.976 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.547 6.359 -0.905 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.217 5.532 -1.344 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.339 5.106 -0.536 1.00 0.73 C ATOM 0 H ILE A 23 4.372 6.839 -3.201 1.00 0.51 H new ATOM 0 HA ILE A 23 3.166 4.365 -2.809 1.00 0.48 H new ATOM 0 HB ILE A 23 2.202 7.178 -2.355 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.249 7.118 -1.251 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.079 6.747 0.000 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.881 6.130 -0.497 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.420 5.471 -2.085 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.471 4.529 -1.001 1.00 0.61 H new ATOM 0 HD11 ILE A 23 5.077 5.354 0.227 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.659 4.346 -0.151 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.847 4.723 -1.421 1.00 0.73 H new ATOM 372 N GLU A 24 1.622 6.190 -5.050 1.00 0.50 N ATOM 373 CA GLU A 24 0.941 6.097 -6.304 1.00 0.53 C ATOM 374 C GLU A 24 1.156 4.928 -7.202 1.00 0.50 C ATOM 375 O GLU A 24 0.246 4.313 -7.757 1.00 0.55 O ATOM 376 CB GLU A 24 1.232 7.331 -7.173 1.00 0.64 C ATOM 377 CG GLU A 24 0.364 7.466 -8.426 1.00 0.95 C ATOM 378 CD GLU A 24 0.195 8.866 -8.998 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.216 9.575 -9.206 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.971 9.209 -9.328 1.00 1.56 O ATOM 0 H GLU A 24 1.932 7.144 -4.862 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.080 5.992 -5.937 1.00 0.53 H new ATOM 0 HB2 GLU A 24 1.101 8.224 -6.562 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.278 7.303 -7.477 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.789 6.831 -9.203 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.626 7.071 -8.197 1.00 0.95 H new ATOM 387 N ASN A 25 2.440 4.538 -7.284 1.00 0.51 N ATOM 388 CA ASN A 25 2.817 3.349 -7.984 1.00 0.52 C ATOM 389 C ASN A 25 2.572 2.127 -7.167 1.00 0.47 C ATOM 390 O ASN A 25 2.353 1.108 -7.819 1.00 0.53 O ATOM 391 CB ASN A 25 4.300 3.320 -8.386 1.00 0.64 C ATOM 392 CG ASN A 25 4.566 3.974 -9.734 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.625 4.423 -10.387 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.891 4.063 -10.027 1.00 1.57 N ATOM 0 H ASN A 25 3.219 5.047 -6.865 1.00 0.51 H new ATOM 0 HA ASN A 25 2.197 3.358 -8.880 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.888 3.827 -7.621 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.642 2.285 -8.417 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.195 4.546 -10.872 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.581 3.647 -9.401 1.00 1.57 H new ATOM 401 N VAL A 26 2.537 2.143 -5.823 1.00 0.45 N ATOM 402 CA VAL A 26 2.158 0.964 -5.107 1.00 0.44 C ATOM 403 C VAL A 26 0.717 0.657 -5.325 1.00 0.40 C ATOM 404 O VAL A 26 0.412 -0.487 -5.658 1.00 0.44 O ATOM 405 CB VAL A 26 2.480 1.103 -3.649 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.276 -0.202 -2.860 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.907 1.569 -3.311 1.00 0.62 C ATOM 0 H VAL A 26 2.765 2.951 -5.243 1.00 0.45 H new ATOM 0 HA VAL A 26 2.735 0.123 -5.492 1.00 0.44 H new ATOM 0 HB VAL A 26 1.774 1.880 -3.357 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.526 -0.036 -1.812 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.235 -0.517 -2.940 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.922 -0.979 -3.268 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.022 1.633 -2.229 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.627 0.855 -3.711 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.084 2.550 -3.753 1.00 0.62 H new ATOM 417 N LYS A 27 -0.212 1.625 -5.241 1.00 0.40 N ATOM 418 CA LYS A 27 -1.570 1.329 -5.577 1.00 0.41 C ATOM 419 C LYS A 27 -1.792 0.830 -6.963 1.00 0.38 C ATOM 420 O LYS A 27 -2.718 0.046 -7.175 1.00 0.42 O ATOM 421 CB LYS A 27 -2.352 2.648 -5.458 1.00 0.51 C ATOM 422 CG LYS A 27 -2.264 3.268 -4.062 1.00 0.76 C ATOM 423 CD LYS A 27 -3.153 4.505 -3.911 1.00 0.82 C ATOM 424 CE LYS A 27 -3.341 5.047 -2.492 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.841 6.429 -2.315 1.00 1.11 N ATOM 0 H LYS A 27 -0.032 2.586 -4.949 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.889 0.534 -4.903 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.969 3.359 -6.191 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.398 2.468 -5.705 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.553 2.524 -3.319 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.229 3.541 -3.854 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.735 5.301 -4.527 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.136 4.269 -4.318 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.028 4.379 -1.972 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.380 4.976 -1.982 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.432 6.838 -1.451 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.566 7.006 -3.136 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.878 6.415 -2.234 1.00 1.11 H new ATOM 439 N ALA A 28 -1.102 1.330 -8.003 1.00 0.39 N ATOM 440 CA ALA A 28 -1.203 0.776 -9.317 1.00 0.39 C ATOM 441 C ALA A 28 -0.860 -0.671 -9.408 1.00 0.36 C ATOM 442 O ALA A 28 -1.462 -1.392 -10.203 1.00 0.42 O ATOM 443 CB ALA A 28 -0.310 1.641 -10.224 1.00 0.51 C ATOM 0 H ALA A 28 -0.468 2.126 -7.932 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.245 0.802 -9.635 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.350 1.260 -11.244 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.664 2.672 -10.207 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.718 1.605 -9.864 1.00 0.51 H new ATOM 449 N LYS A 29 0.150 -1.143 -8.656 1.00 0.39 N ATOM 450 CA LYS A 29 0.656 -2.467 -8.458 1.00 0.43 C ATOM 451 C LYS A 29 -0.382 -3.362 -7.875 1.00 0.44 C ATOM 452 O LYS A 29 -0.588 -4.521 -8.232 1.00 0.54 O ATOM 453 CB LYS A 29 1.932 -2.593 -7.610 1.00 0.54 C ATOM 454 CG LYS A 29 3.112 -2.026 -8.400 1.00 0.65 C ATOM 455 CD LYS A 29 4.405 -1.849 -7.602 1.00 1.08 C ATOM 456 CE LYS A 29 5.357 -0.783 -8.147 1.00 1.24 C ATOM 457 NZ LYS A 29 5.896 -1.055 -9.499 1.00 1.44 N ATOM 0 H LYS A 29 0.695 -0.484 -8.100 1.00 0.39 H new ATOM 0 HA LYS A 29 0.933 -2.771 -9.468 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.814 -2.054 -6.670 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.115 -3.637 -7.358 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.313 -2.684 -9.245 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.822 -1.059 -8.811 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.148 -1.595 -6.574 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.930 -2.804 -7.573 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.834 0.173 -8.167 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.192 -0.675 -7.455 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.529 -0.280 -9.783 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.427 -1.949 -9.488 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.111 -1.127 -10.178 1.00 1.44 H new ATOM 471 N ILE A 30 -1.101 -2.858 -6.857 1.00 0.41 N ATOM 472 CA ILE A 30 -2.250 -3.408 -6.208 1.00 0.44 C ATOM 473 C ILE A 30 -3.467 -3.490 -7.065 1.00 0.45 C ATOM 474 O ILE A 30 -4.204 -4.464 -7.201 1.00 0.56 O ATOM 475 CB ILE A 30 -2.650 -2.792 -4.901 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.525 -3.092 -3.895 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.005 -3.194 -4.295 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.704 -2.386 -2.551 1.00 1.32 C ATOM 0 H ILE A 30 -0.844 -1.961 -6.444 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.872 -4.408 -5.996 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.793 -1.733 -5.116 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.476 -4.168 -3.727 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.571 -2.793 -4.329 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.153 -2.667 -3.352 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.805 -2.931 -4.987 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.019 -4.269 -4.116 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.875 -2.643 -1.892 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.723 -1.307 -2.706 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.642 -2.704 -2.095 1.00 1.32 H new ATOM 490 N GLN A 31 -3.725 -2.391 -7.798 1.00 0.41 N ATOM 491 CA GLN A 31 -4.655 -2.297 -8.880 1.00 0.48 C ATOM 492 C GLN A 31 -4.521 -3.356 -9.918 1.00 0.52 C ATOM 493 O GLN A 31 -5.516 -3.951 -10.332 1.00 0.66 O ATOM 494 CB GLN A 31 -4.631 -0.876 -9.468 1.00 0.52 C ATOM 495 CG GLN A 31 -5.697 -0.702 -10.552 1.00 0.70 C ATOM 496 CD GLN A 31 -5.682 0.662 -11.226 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.799 1.490 -11.009 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.620 0.868 -12.189 1.00 1.43 N ATOM 0 H GLN A 31 -3.249 -1.507 -7.620 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.642 -2.489 -8.459 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.796 -0.149 -8.673 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.646 -0.671 -9.888 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.557 -1.472 -11.311 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.680 -0.866 -10.110 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.344 0.169 -12.353 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.599 1.722 -12.747 1.00 1.43 H new ATOM 507 N ASP A 32 -3.282 -3.666 -10.341 1.00 0.50 N ATOM 508 CA ASP A 32 -2.923 -4.704 -11.257 1.00 0.60 C ATOM 509 C ASP A 32 -3.347 -6.012 -10.683 1.00 0.65 C ATOM 510 O ASP A 32 -4.116 -6.675 -11.376 1.00 0.81 O ATOM 511 CB ASP A 32 -1.443 -4.627 -11.666 1.00 0.67 C ATOM 512 CG ASP A 32 -1.134 -5.536 -12.849 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.340 -4.991 -13.966 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.646 -6.685 -12.675 1.00 1.55 O ATOM 0 H ASP A 32 -2.466 -3.147 -10.015 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.454 -4.577 -12.201 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.190 -3.598 -11.922 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.817 -4.908 -10.819 1.00 0.67 H new ATOM 519 N LYS A 33 -2.873 -6.425 -9.494 1.00 0.62 N ATOM 520 CA LYS A 33 -3.095 -7.713 -8.916 1.00 0.73 C ATOM 521 C LYS A 33 -4.489 -8.022 -8.490 1.00 0.69 C ATOM 522 O LYS A 33 -5.003 -9.049 -8.933 1.00 0.83 O ATOM 523 CB LYS A 33 -2.150 -7.667 -7.703 1.00 0.85 C ATOM 524 CG LYS A 33 -1.964 -8.895 -6.812 1.00 1.31 C ATOM 525 CD LYS A 33 -1.710 -10.117 -7.696 1.00 1.71 C ATOM 526 CE LYS A 33 -0.809 -11.118 -6.970 1.00 2.26 C ATOM 527 NZ LYS A 33 -0.847 -12.420 -7.675 1.00 2.62 N ATOM 0 H LYS A 33 -2.301 -5.823 -8.902 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.914 -8.502 -9.646 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.164 -7.388 -8.075 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.490 -6.854 -7.062 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.127 -8.743 -6.131 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -2.851 -9.052 -6.198 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -2.657 -10.591 -7.955 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.242 -9.808 -8.631 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.214 -10.742 -6.933 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -1.141 -11.241 -5.939 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 -0.234 -13.100 -7.181 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -1.823 -12.779 -7.688 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 -0.510 -12.296 -8.651 1.00 2.62 H new ATOM 541 N GLU A 34 -5.189 -7.130 -7.767 1.00 0.63 N ATOM 542 CA GLU A 34 -6.400 -7.345 -7.038 1.00 0.67 C ATOM 543 C GLU A 34 -7.564 -6.862 -7.834 1.00 0.69 C ATOM 544 O GLU A 34 -8.601 -7.521 -7.771 1.00 0.95 O ATOM 545 CB GLU A 34 -6.457 -6.557 -5.719 1.00 0.73 C ATOM 546 CG GLU A 34 -5.650 -7.084 -4.530 1.00 0.83 C ATOM 547 CD GLU A 34 -6.126 -8.463 -4.093 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.313 -8.606 -3.694 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.364 -9.459 -4.220 1.00 1.37 O ATOM 0 H GLU A 34 -4.873 -6.163 -7.687 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.431 -8.416 -6.836 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.124 -5.540 -5.924 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.501 -6.495 -5.412 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.595 -7.132 -4.799 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.735 -6.388 -3.695 1.00 0.83 H new ATOM 556 N GLY A 35 -7.421 -5.648 -8.394 1.00 0.63 N ATOM 557 CA GLY A 35 -8.416 -5.109 -9.269 1.00 0.68 C ATOM 558 C GLY A 35 -9.151 -3.934 -8.721 1.00 0.76 C ATOM 559 O GLY A 35 -10.260 -3.621 -9.151 1.00 1.12 O ATOM 0 H GLY A 35 -6.617 -5.039 -8.241 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.939 -4.819 -10.205 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.135 -5.893 -9.507 1.00 0.68 H new ATOM 563 N ILE A 36 -8.528 -3.241 -7.751 1.00 0.70 N ATOM 564 CA ILE A 36 -9.091 -2.155 -7.010 1.00 0.76 C ATOM 565 C ILE A 36 -8.718 -0.805 -7.519 1.00 0.71 C ATOM 566 O ILE A 36 -7.545 -0.463 -7.387 1.00 0.73 O ATOM 567 CB ILE A 36 -8.826 -2.327 -5.544 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.822 -3.805 -5.116 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.940 -1.505 -4.875 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.686 -3.985 -3.605 1.00 1.16 C ATOM 0 H ILE A 36 -7.572 -3.453 -7.467 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.169 -2.197 -7.165 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.834 -1.983 -5.252 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.745 -4.278 -5.452 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.000 -4.320 -5.614 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.836 -1.565 -3.792 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.863 -0.464 -5.190 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.912 -1.902 -5.169 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.689 -5.048 -3.363 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.750 -3.539 -3.268 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.522 -3.496 -3.104 1.00 1.16 H new ATOM 582 N PRO A 37 -9.615 0.041 -7.930 1.00 0.75 N ATOM 583 CA PRO A 37 -9.136 1.254 -8.528 1.00 0.79 C ATOM 584 C PRO A 37 -8.657 2.261 -7.540 1.00 0.75 C ATOM 585 O PRO A 37 -8.939 2.136 -6.349 1.00 0.75 O ATOM 586 CB PRO A 37 -10.347 1.745 -9.318 1.00 0.95 C ATOM 587 CG PRO A 37 -11.534 1.168 -8.531 1.00 1.02 C ATOM 588 CD PRO A 37 -11.029 -0.230 -8.145 1.00 0.85 C ATOM 0 HA PRO A 37 -8.253 1.087 -9.145 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.384 2.833 -9.363 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.331 1.383 -10.346 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.771 1.770 -7.654 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.438 1.120 -9.138 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.517 -0.613 -7.249 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.194 -0.962 -8.936 1.00 0.85 H new ATOM 596 N PRO A 38 -7.873 3.241 -7.876 1.00 0.81 N ATOM 597 CA PRO A 38 -7.245 4.121 -6.932 1.00 0.85 C ATOM 598 C PRO A 38 -8.110 4.975 -6.070 1.00 0.89 C ATOM 599 O PRO A 38 -7.644 5.472 -5.046 1.00 0.99 O ATOM 600 CB PRO A 38 -6.500 5.105 -7.831 1.00 1.01 C ATOM 601 CG PRO A 38 -5.995 4.233 -8.992 1.00 1.25 C ATOM 602 CD PRO A 38 -7.061 3.130 -9.078 1.00 0.98 C ATOM 0 HA PRO A 38 -6.692 3.491 -6.235 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -7.157 5.900 -8.184 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -5.676 5.584 -7.303 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.922 4.799 -9.921 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.005 3.824 -8.790 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.673 3.252 -9.972 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.596 2.146 -9.142 1.00 0.98 H new ATOM 610 N ASP A 39 -9.371 5.176 -6.492 1.00 0.96 N ATOM 611 CA ASP A 39 -10.399 5.907 -5.819 1.00 1.11 C ATOM 612 C ASP A 39 -10.878 5.269 -4.560 1.00 1.00 C ATOM 613 O ASP A 39 -11.426 5.885 -3.647 1.00 1.14 O ATOM 614 CB ASP A 39 -11.466 6.117 -6.906 1.00 1.39 C ATOM 615 CG ASP A 39 -10.878 6.974 -8.019 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.862 8.228 -7.898 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.371 6.373 -9.004 1.00 2.25 O ATOM 0 H ASP A 39 -9.697 4.794 -7.380 1.00 0.96 H new ATOM 0 HA ASP A 39 -10.047 6.860 -5.424 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.793 5.156 -7.303 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -12.345 6.602 -6.482 1.00 1.39 H new ATOM 622 N GLN A 40 -10.742 3.930 -4.564 1.00 0.87 N ATOM 623 CA GLN A 40 -11.228 3.018 -3.576 1.00 0.84 C ATOM 624 C GLN A 40 -10.220 2.676 -2.534 1.00 0.67 C ATOM 625 O GLN A 40 -10.593 2.630 -1.363 1.00 0.80 O ATOM 626 CB GLN A 40 -11.735 1.742 -4.269 1.00 0.95 C ATOM 627 CG GLN A 40 -13.157 1.855 -4.821 1.00 1.32 C ATOM 628 CD GLN A 40 -13.698 0.482 -5.194 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.709 0.237 -6.399 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.947 -0.413 -4.201 1.00 2.02 N ATOM 0 H GLN A 40 -10.253 3.449 -5.319 1.00 0.87 H new ATOM 0 HA GLN A 40 -12.043 3.518 -3.052 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.058 1.492 -5.086 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.697 0.916 -3.559 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.806 2.318 -4.077 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.162 2.504 -5.697 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.915 -0.115 -3.226 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.166 -1.382 -4.431 1.00 2.02 H new ATOM 639 N GLN A 41 -8.924 2.504 -2.853 1.00 0.56 N ATOM 640 CA GLN A 41 -7.942 1.989 -1.950 1.00 0.51 C ATOM 641 C GLN A 41 -7.044 3.011 -1.340 1.00 0.49 C ATOM 642 O GLN A 41 -6.430 3.882 -1.954 1.00 0.65 O ATOM 643 CB GLN A 41 -7.163 0.817 -2.567 1.00 0.67 C ATOM 644 CG GLN A 41 -6.759 1.141 -4.007 1.00 0.69 C ATOM 645 CD GLN A 41 -5.417 0.516 -4.357 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.475 0.506 -3.564 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.282 0.164 -5.664 1.00 0.61 N ATOM 0 H GLN A 41 -8.547 2.732 -3.773 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.514 1.606 -1.105 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -6.274 0.610 -1.971 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -7.776 -0.084 -2.549 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.523 0.775 -4.693 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -6.705 2.222 -4.138 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.091 0.187 -6.285 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.372 -0.123 -6.023 1.00 0.61 H new ATOM 656 N ARG A 42 -6.827 2.865 -0.021 1.00 0.47 N ATOM 657 CA ARG A 42 -5.875 3.584 0.767 1.00 0.55 C ATOM 658 C ARG A 42 -4.918 2.656 1.433 1.00 0.46 C ATOM 659 O ARG A 42 -5.271 1.531 1.785 1.00 0.52 O ATOM 660 CB ARG A 42 -6.693 4.334 1.832 1.00 0.73 C ATOM 661 CG ARG A 42 -7.207 5.633 1.207 1.00 1.04 C ATOM 662 CD ARG A 42 -7.975 6.459 2.241 1.00 1.28 C ATOM 663 NE ARG A 42 -8.349 7.823 1.771 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.129 8.668 2.504 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.431 8.593 3.835 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.512 9.826 1.892 1.00 2.78 N ATOM 0 H ARG A 42 -7.357 2.194 0.535 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.287 4.259 0.145 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.526 3.720 2.174 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.076 4.549 2.704 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.370 6.213 0.819 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.855 5.405 0.361 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.881 5.921 2.520 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.368 6.550 3.142 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.007 8.138 0.863 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.055 7.832 4.401 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.032 9.298 4.262 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.214 10.020 0.936 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.096 10.497 2.391 1.00 2.78 H new ATOM 680 N LEU A 43 -3.648 3.084 1.538 1.00 0.46 N ATOM 681 CA LEU A 43 -2.610 2.332 2.171 1.00 0.42 C ATOM 682 C LEU A 43 -2.165 2.949 3.451 1.00 0.43 C ATOM 683 O LEU A 43 -2.068 4.158 3.660 1.00 0.55 O ATOM 684 CB LEU A 43 -1.393 2.206 1.239 1.00 0.55 C ATOM 685 CG LEU A 43 -1.701 1.535 -0.110 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.571 1.444 -1.150 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.234 0.120 0.172 1.00 1.12 C ATOM 0 H LEU A 43 -3.333 3.982 1.171 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.027 1.349 2.388 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.987 3.200 1.053 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.617 1.634 1.748 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.423 2.201 -0.582 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.941 0.947 -2.047 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.230 2.447 -1.406 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.260 0.874 -0.735 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.460 -0.378 -0.771 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.480 -0.452 0.713 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.140 0.186 0.774 1.00 1.12 H new ATOM 699 N ILE A 44 -2.133 2.030 4.433 1.00 0.42 N ATOM 700 CA ILE A 44 -1.706 2.413 5.743 1.00 0.46 C ATOM 701 C ILE A 44 -0.375 1.780 5.957 1.00 0.42 C ATOM 702 O ILE A 44 -0.191 0.620 5.591 1.00 0.53 O ATOM 703 CB ILE A 44 -2.670 1.980 6.807 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.125 2.323 6.443 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.286 2.513 8.197 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.332 3.770 5.995 1.00 1.27 C ATOM 0 H ILE A 44 -2.394 1.050 4.327 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.653 3.499 5.813 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.603 0.893 6.860 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.456 1.657 5.646 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.760 2.127 7.307 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.015 2.172 8.932 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.297 2.143 8.468 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.273 3.603 8.178 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.384 3.930 5.757 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.035 4.445 6.797 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.726 3.968 5.111 1.00 1.27 H new ATOM 718 N PHE A 45 0.592 2.495 6.561 1.00 0.42 N ATOM 719 CA PHE A 45 1.809 2.039 7.157 1.00 0.46 C ATOM 720 C PHE A 45 1.827 2.433 8.594 1.00 0.68 C ATOM 721 O PHE A 45 1.933 3.624 8.881 1.00 1.50 O ATOM 722 CB PHE A 45 3.065 2.690 6.554 1.00 0.56 C ATOM 723 CG PHE A 45 4.356 2.233 7.144 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.694 0.903 7.076 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.211 3.177 7.664 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.959 0.533 7.470 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.376 2.729 8.241 1.00 1.33 C ATOM 728 CZ PHE A 45 6.732 1.401 8.203 1.00 1.02 C ATOM 0 H PHE A 45 0.507 3.509 6.638 1.00 0.42 H new ATOM 0 HA PHE A 45 1.833 0.962 6.991 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.081 2.490 5.483 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.990 3.771 6.675 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.986 0.168 6.723 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.976 4.230 7.621 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.345 -0.440 7.203 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.026 3.436 8.735 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.601 1.048 8.738 1.00 1.02 H new ATOM 738 N ALA A 46 1.646 1.488 9.534 1.00 0.81 N ATOM 739 CA ALA A 46 1.634 1.689 10.950 1.00 0.96 C ATOM 740 C ALA A 46 0.447 2.447 11.437 1.00 0.97 C ATOM 741 O ALA A 46 -0.649 1.983 11.746 1.00 1.21 O ATOM 742 CB ALA A 46 3.056 2.070 11.395 1.00 1.20 C ATOM 0 H ALA A 46 1.497 0.510 9.284 1.00 0.81 H new ATOM 0 HA ALA A 46 1.431 0.774 11.506 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.070 2.228 12.473 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.746 1.266 11.137 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.362 2.986 10.890 1.00 1.20 H new ATOM 748 N GLY A 47 0.603 3.778 11.561 1.00 0.99 N ATOM 749 CA GLY A 47 -0.390 4.682 12.052 1.00 1.10 C ATOM 750 C GLY A 47 -0.582 5.840 11.135 1.00 1.03 C ATOM 751 O GLY A 47 -1.229 6.835 11.460 1.00 1.30 O ATOM 0 H GLY A 47 1.471 4.248 11.304 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.335 4.153 12.173 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.098 5.043 13.038 1.00 1.10 H new ATOM 755 N LYS A 48 0.028 5.806 9.936 1.00 0.98 N ATOM 756 CA LYS A 48 -0.024 6.859 8.968 1.00 1.05 C ATOM 757 C LYS A 48 -0.689 6.315 7.751 1.00 0.84 C ATOM 758 O LYS A 48 -0.404 5.240 7.226 1.00 0.81 O ATOM 759 CB LYS A 48 1.426 7.229 8.615 1.00 1.42 C ATOM 760 CG LYS A 48 2.384 7.267 9.807 1.00 1.61 C ATOM 761 CD LYS A 48 3.823 7.720 9.550 1.00 1.87 C ATOM 762 CE LYS A 48 4.651 7.464 10.811 1.00 2.22 C ATOM 763 NZ LYS A 48 5.921 8.122 10.432 1.00 2.55 N ATOM 0 H LYS A 48 0.583 5.008 9.627 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.563 7.729 9.342 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.803 6.511 7.886 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.430 8.206 8.132 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.955 7.926 10.561 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.420 6.268 10.240 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.245 7.177 8.704 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.845 8.779 9.292 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.202 7.908 11.700 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.779 6.401 11.015 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.605 8.030 11.210 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.305 7.669 9.578 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.747 9.129 10.241 1.00 2.55 H new ATOM 777 N GLN A 49 -1.556 7.186 7.202 1.00 0.84 N ATOM 778 CA GLN A 49 -2.111 7.093 5.887 1.00 0.80 C ATOM 779 C GLN A 49 -1.156 7.503 4.820 1.00 0.72 C ATOM 780 O GLN A 49 -0.734 8.658 4.822 1.00 0.83 O ATOM 781 CB GLN A 49 -3.484 7.785 5.921 1.00 1.03 C ATOM 782 CG GLN A 49 -4.250 7.536 4.620 1.00 1.67 C ATOM 783 CD GLN A 49 -5.610 8.202 4.761 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.591 7.508 5.022 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.647 9.550 4.587 1.00 2.48 N ATOM 0 H GLN A 49 -1.889 8.006 7.709 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.289 6.059 5.592 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.063 7.413 6.766 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.353 8.857 6.072 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.707 7.948 3.769 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.363 6.467 4.439 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.790 10.060 4.372 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.531 10.051 4.672 1.00 2.48 H new ATOM 794 N LEU A 50 -0.683 6.559 3.987 1.00 0.69 N ATOM 795 CA LEU A 50 0.323 6.828 3.008 1.00 0.66 C ATOM 796 C LEU A 50 -0.173 7.758 1.954 1.00 0.72 C ATOM 797 O LEU A 50 -0.983 7.360 1.118 1.00 0.90 O ATOM 798 CB LEU A 50 0.929 5.584 2.335 1.00 0.65 C ATOM 799 CG LEU A 50 1.542 4.552 3.296 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.315 3.439 2.570 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.481 5.236 4.305 1.00 0.74 C ATOM 0 H LEU A 50 -1.005 5.591 3.994 1.00 0.69 H new ATOM 0 HA LEU A 50 1.125 7.293 3.581 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.152 5.094 1.748 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.700 5.908 1.636 1.00 0.65 H new ATOM 0 HG LEU A 50 0.702 4.091 3.815 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.723 2.742 3.302 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.641 2.906 1.899 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.129 3.878 1.993 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.903 4.487 4.975 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.286 5.739 3.770 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.920 5.967 4.886 1.00 0.74 H new ATOM 813 N GLU A 51 0.355 8.989 1.832 1.00 0.70 N ATOM 814 CA GLU A 51 0.036 9.962 0.833 1.00 0.76 C ATOM 815 C GLU A 51 0.651 9.662 -0.490 1.00 0.77 C ATOM 816 O GLU A 51 1.805 9.300 -0.715 1.00 1.23 O ATOM 817 CB GLU A 51 0.537 11.335 1.313 1.00 0.88 C ATOM 818 CG GLU A 51 0.200 12.468 0.342 1.00 1.35 C ATOM 819 CD GLU A 51 0.829 13.820 0.646 1.00 1.46 C ATOM 820 OE1 GLU A 51 2.043 13.823 0.988 1.00 1.94 O ATOM 821 OE2 GLU A 51 0.115 14.858 0.678 1.00 1.89 O ATOM 0 H GLU A 51 1.061 9.330 2.485 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.045 9.950 0.696 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.098 11.556 2.286 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.617 11.293 1.452 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.506 12.164 -0.659 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.883 12.591 0.320 1.00 1.35 H new ATOM 828 N ASP A 52 -0.181 9.679 -1.546 1.00 0.66 N ATOM 829 CA ASP A 52 0.157 9.289 -2.880 1.00 0.65 C ATOM 830 C ASP A 52 1.420 9.677 -3.568 1.00 0.60 C ATOM 831 O ASP A 52 2.219 8.840 -3.988 1.00 0.62 O ATOM 832 CB ASP A 52 -0.983 9.640 -3.850 1.00 0.81 C ATOM 833 CG ASP A 52 -2.361 9.184 -3.394 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.812 9.784 -2.382 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.023 8.396 -4.122 1.00 1.56 O ATOM 0 H ASP A 52 -1.151 9.984 -1.463 1.00 0.66 H new ATOM 0 HA ASP A 52 0.337 8.237 -2.659 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.001 10.720 -3.994 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.768 9.192 -4.820 1.00 0.81 H new ATOM 840 N GLY A 53 1.731 10.984 -3.619 1.00 0.68 N ATOM 841 CA GLY A 53 2.941 11.510 -4.168 1.00 0.73 C ATOM 842 C GLY A 53 4.081 11.616 -3.214 1.00 0.72 C ATOM 843 O GLY A 53 4.813 12.603 -3.161 1.00 0.97 O ATOM 0 H GLY A 53 1.109 11.708 -3.260 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.245 10.880 -5.003 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.736 12.500 -4.574 1.00 0.73 H new ATOM 847 N ARG A 54 4.292 10.566 -2.400 1.00 0.64 N ATOM 848 CA ARG A 54 5.541 10.318 -1.748 1.00 0.63 C ATOM 849 C ARG A 54 6.143 9.020 -2.166 1.00 0.59 C ATOM 850 O ARG A 54 5.610 8.206 -2.917 1.00 0.62 O ATOM 851 CB ARG A 54 5.216 10.068 -0.266 1.00 0.69 C ATOM 852 CG ARG A 54 4.671 11.259 0.525 1.00 0.82 C ATOM 853 CD ARG A 54 5.652 12.415 0.733 1.00 1.18 C ATOM 854 NE ARG A 54 4.829 13.372 1.524 1.00 1.50 N ATOM 855 CZ ARG A 54 5.268 14.471 2.205 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.584 14.703 2.486 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.356 15.373 2.668 1.00 2.49 N ATOM 0 H ARG A 54 3.576 9.871 -2.190 1.00 0.64 H new ATOM 0 HA ARG A 54 6.203 11.155 -1.970 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.488 9.259 -0.208 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.122 9.717 0.227 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.789 11.642 0.011 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.342 10.904 1.502 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.546 12.101 1.272 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.984 12.845 -0.212 1.00 1.18 H new ATOM 0 HE ARG A 54 3.827 13.186 1.561 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.295 14.037 2.183 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.856 15.542 2.999 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.361 15.222 2.504 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.669 16.199 3.178 1.00 2.49 H new ATOM 871 N THR A 55 7.396 8.776 -1.740 1.00 0.63 N ATOM 872 CA THR A 55 8.005 7.483 -1.748 1.00 0.61 C ATOM 873 C THR A 55 7.909 6.663 -0.507 1.00 0.59 C ATOM 874 O THR A 55 7.632 7.208 0.560 1.00 0.64 O ATOM 875 CB THR A 55 9.443 7.490 -2.174 1.00 0.68 C ATOM 876 OG1 THR A 55 10.258 8.168 -1.228 1.00 0.75 O ATOM 877 CG2 THR A 55 9.743 8.235 -3.485 1.00 0.76 C ATOM 0 H THR A 55 8.007 9.507 -1.377 1.00 0.63 H new ATOM 0 HA THR A 55 7.374 6.999 -2.494 1.00 0.61 H new ATOM 0 HB THR A 55 9.654 6.426 -2.282 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.928 9.083 -1.108 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.810 8.178 -3.700 1.00 0.76 H new ATOM 0 HG22 THR A 55 9.184 7.776 -4.300 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.448 9.280 -3.386 1.00 0.76 H new ATOM 885 N LEU A 56 8.376 5.403 -0.556 1.00 0.58 N ATOM 886 CA LEU A 56 8.683 4.490 0.501 1.00 0.59 C ATOM 887 C LEU A 56 9.843 4.883 1.351 1.00 0.64 C ATOM 888 O LEU A 56 9.784 4.614 2.549 1.00 0.70 O ATOM 889 CB LEU A 56 8.910 3.098 -0.112 1.00 0.60 C ATOM 890 CG LEU A 56 7.672 2.438 -0.742 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.825 0.956 -1.126 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.483 2.511 0.232 1.00 1.03 C ATOM 0 H LEU A 56 8.562 4.971 -1.461 1.00 0.58 H new ATOM 0 HA LEU A 56 7.831 4.494 1.181 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.684 3.179 -0.875 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.296 2.438 0.665 1.00 0.60 H new ATOM 0 HG LEU A 56 7.519 3.002 -1.662 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.893 0.595 -1.560 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.630 0.850 -1.854 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.061 0.372 -0.236 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.611 2.041 -0.223 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.736 1.989 1.155 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.258 3.554 0.455 1.00 1.03 H new ATOM 904 N SER A 57 10.900 5.535 0.835 1.00 0.68 N ATOM 905 CA SER A 57 12.026 6.098 1.514 1.00 0.75 C ATOM 906 C SER A 57 11.692 7.238 2.414 1.00 0.76 C ATOM 907 O SER A 57 12.245 7.385 3.503 1.00 0.84 O ATOM 908 CB SER A 57 13.141 6.516 0.541 1.00 0.84 C ATOM 909 OG SER A 57 14.406 6.807 1.117 1.00 1.19 O ATOM 0 H SER A 57 10.970 5.682 -0.172 1.00 0.68 H new ATOM 0 HA SER A 57 12.386 5.288 2.148 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.274 5.718 -0.189 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.804 7.396 -0.006 1.00 0.84 H new ATOM 0 HG SER A 57 15.037 7.059 0.411 1.00 1.19 H new ATOM 915 N ASP A 58 10.703 8.044 1.989 1.00 0.75 N ATOM 916 CA ASP A 58 10.222 9.148 2.758 1.00 0.78 C ATOM 917 C ASP A 58 9.513 8.651 3.970 1.00 0.77 C ATOM 918 O ASP A 58 9.829 9.135 5.055 1.00 0.86 O ATOM 919 CB ASP A 58 9.231 9.977 1.924 1.00 0.83 C ATOM 920 CG ASP A 58 9.920 10.840 0.877 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.692 11.785 1.194 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.598 10.577 -0.312 1.00 1.90 O ATOM 0 H ASP A 58 10.229 7.926 1.094 1.00 0.75 H new ATOM 0 HA ASP A 58 11.073 9.764 3.048 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.528 9.306 1.430 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.649 10.615 2.589 1.00 0.83 H new ATOM 927 N TYR A 59 8.658 7.623 3.815 1.00 0.72 N ATOM 928 CA TYR A 59 7.963 7.003 4.899 1.00 0.73 C ATOM 929 C TYR A 59 8.778 5.983 5.615 1.00 0.76 C ATOM 930 O TYR A 59 8.223 5.399 6.543 1.00 0.89 O ATOM 931 CB TYR A 59 6.718 6.262 4.380 1.00 0.73 C ATOM 932 CG TYR A 59 5.679 7.309 4.163 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.083 7.842 5.280 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.180 7.593 2.913 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.981 8.654 5.152 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.109 8.447 2.798 1.00 0.70 C ATOM 937 CZ TYR A 59 3.559 9.049 3.904 1.00 0.74 C ATOM 938 OH TYR A 59 2.471 9.925 3.702 1.00 0.86 O ATOM 0 H TYR A 59 8.444 7.211 2.907 1.00 0.72 H new ATOM 0 HA TYR A 59 7.714 7.816 5.581 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.937 5.732 3.453 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.378 5.518 5.100 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.481 7.623 6.260 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.624 7.151 2.033 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.447 8.982 6.031 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.693 8.648 1.822 1.00 0.70 H new ATOM 0 HH TYR A 59 2.779 10.726 3.229 1.00 0.86 H new ATOM 948 N ASN A 60 10.065 5.728 5.313 1.00 0.74 N ATOM 949 CA ASN A 60 10.869 4.824 6.076 1.00 0.79 C ATOM 950 C ASN A 60 10.333 3.437 6.158 1.00 0.75 C ATOM 951 O ASN A 60 10.130 2.738 7.150 1.00 0.86 O ATOM 952 CB ASN A 60 11.053 5.406 7.488 1.00 0.95 C ATOM 953 CG ASN A 60 12.241 4.815 8.234 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.186 4.320 7.620 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.169 4.900 9.589 1.00 1.83 N ATOM 0 H ASN A 60 10.554 6.156 4.527 1.00 0.74 H new ATOM 0 HA ASN A 60 11.821 4.730 5.554 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.180 6.486 7.414 1.00 0.95 H new ATOM 0 HB3 ASN A 60 10.146 5.231 8.067 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.931 4.540 10.164 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.353 5.324 10.031 1.00 1.83 H new ATOM 962 N ILE A 61 10.029 2.965 4.935 1.00 0.67 N ATOM 963 CA ILE A 61 9.536 1.696 4.497 1.00 0.65 C ATOM 964 C ILE A 61 10.654 0.947 3.858 1.00 0.66 C ATOM 965 O ILE A 61 11.210 1.336 2.833 1.00 0.75 O ATOM 966 CB ILE A 61 8.255 1.776 3.720 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.224 2.636 4.470 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.723 0.350 3.501 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.887 2.721 3.736 1.00 0.82 C ATOM 0 H ILE A 61 10.152 3.579 4.130 1.00 0.67 H new ATOM 0 HA ILE A 61 9.212 1.109 5.356 1.00 0.65 H new ATOM 0 HB ILE A 61 8.437 2.248 2.754 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.063 2.219 5.464 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.624 3.641 4.606 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.791 0.392 2.937 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.458 -0.231 2.944 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.542 -0.123 4.466 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.196 3.340 4.309 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.040 3.164 2.752 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.470 1.720 3.623 1.00 0.82 H new ATOM 981 N GLN A 62 10.926 -0.153 4.584 1.00 0.67 N ATOM 982 CA GLN A 62 11.941 -1.148 4.428 1.00 0.70 C ATOM 983 C GLN A 62 11.466 -2.316 3.634 1.00 0.62 C ATOM 984 O GLN A 62 10.291 -2.600 3.407 1.00 0.64 O ATOM 985 CB GLN A 62 12.503 -1.652 5.768 1.00 0.85 C ATOM 986 CG GLN A 62 12.713 -0.562 6.821 1.00 1.27 C ATOM 987 CD GLN A 62 13.085 -1.213 8.146 1.00 1.57 C ATOM 988 OE1 GLN A 62 12.147 -1.318 8.934 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.339 -1.642 8.453 1.00 2.16 N ATOM 0 H GLN A 62 10.347 -0.369 5.395 1.00 0.67 H new ATOM 0 HA GLN A 62 12.743 -0.645 3.887 1.00 0.70 H new ATOM 0 HB2 GLN A 62 11.824 -2.403 6.172 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.455 -2.149 5.584 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.501 0.121 6.503 1.00 1.27 H new ATOM 0 HG3 GLN A 62 11.805 0.030 6.935 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.094 -1.539 7.775 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.525 -2.067 9.362 1.00 2.16 H new ATOM 998 N LYS A 63 12.428 -3.205 3.329 1.00 0.64 N ATOM 999 CA LYS A 63 11.972 -4.439 2.768 1.00 0.62 C ATOM 1000 C LYS A 63 11.290 -5.337 3.742 1.00 0.59 C ATOM 1001 O LYS A 63 11.636 -5.356 4.923 1.00 0.66 O ATOM 1002 CB LYS A 63 13.143 -5.144 2.063 1.00 0.74 C ATOM 1003 CG LYS A 63 14.117 -5.848 3.009 1.00 0.89 C ATOM 1004 CD LYS A 63 15.271 -6.422 2.185 1.00 1.11 C ATOM 1005 CE LYS A 63 16.427 -6.983 3.016 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.036 -8.250 3.673 1.00 2.12 N ATOM 0 H LYS A 63 13.434 -3.091 3.455 1.00 0.64 H new ATOM 0 HA LYS A 63 11.200 -4.193 2.039 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.742 -5.877 1.363 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.693 -4.409 1.475 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.496 -5.147 3.752 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.608 -6.644 3.552 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.884 -7.214 1.543 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.657 -5.641 1.530 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.292 -7.152 2.375 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.726 -6.255 3.770 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.835 -8.613 4.231 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.224 -8.080 4.301 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.773 -8.950 2.950 1.00 2.12 H new ATOM 1020 N GLU A 64 10.261 -6.082 3.300 1.00 0.57 N ATOM 1021 CA GLU A 64 9.600 -7.007 4.167 1.00 0.58 C ATOM 1022 C GLU A 64 8.749 -6.365 5.209 1.00 0.56 C ATOM 1023 O GLU A 64 8.402 -6.946 6.235 1.00 0.70 O ATOM 1024 CB GLU A 64 10.477 -8.183 4.626 1.00 0.72 C ATOM 1025 CG GLU A 64 11.123 -8.900 3.438 1.00 0.96 C ATOM 1026 CD GLU A 64 11.724 -10.251 3.798 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.618 -10.742 4.953 1.00 1.69 O ATOM 1028 OE2 GLU A 64 12.206 -10.856 2.803 1.00 1.71 O ATOM 0 H GLU A 64 9.889 -6.045 2.351 1.00 0.57 H new ATOM 0 HA GLU A 64 8.861 -7.507 3.541 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.254 -7.818 5.298 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.871 -8.890 5.193 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.375 -9.040 2.658 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.903 -8.264 3.020 1.00 0.96 H new ATOM 1035 N SER A 65 8.299 -5.122 4.962 1.00 0.51 N ATOM 1036 CA SER A 65 7.606 -4.306 5.911 1.00 0.51 C ATOM 1037 C SER A 65 6.173 -4.669 5.721 1.00 0.43 C ATOM 1038 O SER A 65 5.733 -5.151 4.679 1.00 0.50 O ATOM 1039 CB SER A 65 7.734 -2.849 5.434 1.00 0.65 C ATOM 1040 OG SER A 65 9.033 -2.356 5.720 1.00 1.04 O ATOM 0 H SER A 65 8.424 -4.664 4.059 1.00 0.51 H new ATOM 0 HA SER A 65 7.971 -4.429 6.931 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.542 -2.790 4.363 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.985 -2.229 5.927 1.00 0.65 H new ATOM 0 HG SER A 65 9.485 -2.121 4.883 1.00 1.04 H new ATOM 1046 N THR A 66 5.369 -4.503 6.787 1.00 0.45 N ATOM 1047 CA THR A 66 3.992 -4.863 6.657 1.00 0.45 C ATOM 1048 C THR A 66 3.228 -3.593 6.500 1.00 0.43 C ATOM 1049 O THR A 66 3.105 -2.717 7.354 1.00 0.58 O ATOM 1050 CB THR A 66 3.358 -5.473 7.872 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.159 -6.626 8.090 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.938 -6.050 7.744 1.00 0.78 C ATOM 0 H THR A 66 5.653 -4.138 7.696 1.00 0.45 H new ATOM 0 HA THR A 66 3.963 -5.581 5.838 1.00 0.45 H new ATOM 0 HB THR A 66 3.294 -4.683 8.621 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.829 -7.109 8.876 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.621 -6.453 8.706 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.251 -5.261 7.437 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.934 -6.845 6.998 1.00 0.78 H new ATOM 1060 N LEU A 67 2.617 -3.441 5.311 1.00 0.38 N ATOM 1061 CA LEU A 67 1.742 -2.346 5.029 1.00 0.38 C ATOM 1062 C LEU A 67 0.389 -2.965 5.120 1.00 0.37 C ATOM 1063 O LEU A 67 0.178 -4.177 5.112 1.00 0.50 O ATOM 1064 CB LEU A 67 1.954 -1.797 3.609 1.00 0.46 C ATOM 1065 CG LEU A 67 3.220 -0.971 3.322 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.448 -1.887 3.451 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.172 -0.249 1.965 1.00 1.31 C ATOM 0 H LEU A 67 2.733 -4.090 4.532 1.00 0.38 H new ATOM 0 HA LEU A 67 1.903 -1.507 5.706 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.948 -2.643 2.922 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.091 -1.179 3.361 1.00 0.46 H new ATOM 0 HG LEU A 67 3.287 -0.171 4.060 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.353 -1.313 3.250 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.494 -2.294 4.461 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.369 -2.704 2.734 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.093 0.316 1.821 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.068 -0.983 1.166 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.321 0.432 1.945 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.631 -2.095 5.215 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.010 -2.472 5.271 1.00 0.37 C ATOM 1081 C HIS A 68 -2.839 -1.693 4.309 1.00 0.35 C ATOM 1082 O HIS A 68 -2.747 -0.473 4.183 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.504 -2.320 6.720 1.00 0.49 C ATOM 1084 CG HIS A 68 -3.881 -2.744 7.138 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -4.472 -3.875 6.613 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -4.822 -2.129 7.903 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -5.660 -4.021 7.259 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -5.903 -2.978 8.029 1.00 1.51 N ATOM 0 H HIS A 68 -0.490 -1.086 5.255 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.112 -3.514 4.968 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -1.802 -2.866 7.351 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -2.409 -1.265 6.976 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -4.093 -4.481 5.885 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -4.738 -1.144 8.338 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -6.314 -4.874 7.156 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.764 -2.405 3.641 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.680 -1.975 2.631 1.00 0.38 C ATOM 1098 C LEU A 69 -6.043 -1.925 3.230 1.00 0.41 C ATOM 1099 O LEU A 69 -6.577 -2.957 3.633 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.689 -2.959 1.448 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.660 -2.612 0.307 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.164 -1.545 -0.683 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.115 -3.834 -0.510 1.00 1.14 C ATOM 0 H LEU A 69 -3.880 -3.400 3.835 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.377 -0.995 2.264 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.680 -3.017 1.039 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.938 -3.951 1.825 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.502 -2.195 0.860 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.923 -1.376 -1.446 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.972 -0.614 -0.149 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.244 -1.888 -1.156 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.798 -3.512 -1.296 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.246 -4.316 -0.958 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.624 -4.541 0.145 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.632 -0.715 3.260 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.027 -0.551 3.522 1.00 0.56 C ATOM 1117 C VAL A 70 -8.641 0.018 2.289 1.00 0.55 C ATOM 1118 O VAL A 70 -7.941 0.229 1.301 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.278 0.373 4.677 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.488 -0.094 5.910 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.797 1.808 4.406 1.00 0.97 C ATOM 0 H VAL A 70 -6.133 0.160 3.100 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.461 -1.516 3.785 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.357 0.358 4.833 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.678 0.584 6.742 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -7.803 -1.101 6.184 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.423 -0.097 5.680 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -8.004 2.432 5.276 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.725 1.802 4.212 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.321 2.210 3.538 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.976 0.177 2.237 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.655 0.601 1.051 1.00 0.84 C ATOM 1133 C LEU A 71 -11.987 1.160 1.416 1.00 0.85 C ATOM 1134 O LEU A 71 -12.420 1.098 2.566 1.00 1.03 O ATOM 1135 CB LEU A 71 -10.769 -0.410 -0.102 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.242 -1.815 0.308 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.692 -1.911 0.812 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.905 -2.852 -0.778 1.00 2.78 C ATOM 0 H LEU A 71 -10.594 0.009 3.031 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.004 1.364 0.624 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.460 -0.013 -0.846 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -9.796 -0.498 -0.586 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.666 -2.060 1.200 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.919 -2.945 1.073 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.814 -1.279 1.692 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -13.372 -1.577 0.029 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -11.251 -3.836 -0.461 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -11.399 -2.576 -1.710 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.826 -2.879 -0.933 1.00 2.78 H new