USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 135:sc= 1.84 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.13 USER MOD Set 2.1: A 22 THR OG1 : rot -50:sc= 1.25 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.75 K(o=3,f=-6.2!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 153:sc= 0.89 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 161:sc= 0.791 USER MOD Single : A 1 MET CE :methyl -142:sc= 0 (180deg=-0.482) USER MOD Single : A 1 MET N :NH3+ -172:sc= 2.44 (180deg=2.25) USER MOD Single : A 2 GLN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 1.27 (180deg=1.13) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -102:sc= 0.0594 USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 2.39 (180deg=2.28) USER MOD Single : A 29 LYS NZ :NH3+ -114:sc= 1.34 (180deg=0.0321) USER MOD Single : A 31 GLN : amide:sc= -0.346 K(o=-0.35,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ -103:sc= 1.31 (180deg=-0.0336) USER MOD Single : A 40 GLN : amide:sc= -0.46 K(o=-0.46,f=-3.2!) USER MOD Single : A 41 GLN : amide:sc= 1.1 K(o=1.1,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.21) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.86 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.33) 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 106:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.982 -7.080 -5.331 1.00 9.67 N ATOM 2 CA MET A 1 11.006 -7.547 -3.901 1.00 10.38 C ATOM 3 C MET A 1 9.680 -7.911 -3.247 1.00 9.62 C ATOM 4 O MET A 1 8.617 -7.526 -3.718 1.00 9.62 O ATOM 5 CB MET A 1 11.667 -6.436 -3.038 1.00 13.77 C ATOM 6 CG MET A 1 10.859 -5.190 -2.659 1.00 16.29 C ATOM 7 SD MET A 1 11.812 -3.719 -2.063 1.00 17.17 S ATOM 8 CE MET A 1 10.329 -2.751 -1.553 1.00 16.11 C ATOM 0 H1 MET A 1 11.956 -6.998 -5.686 1.00 9.67 H new ATOM 0 H2 MET A 1 10.458 -7.766 -5.911 1.00 9.67 H new ATOM 0 H3 MET A 1 10.515 -6.152 -5.385 1.00 9.67 H new ATOM 0 HA MET A 1 11.557 -8.486 -3.942 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.004 -6.900 -2.111 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.558 -6.098 -3.568 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.277 -4.886 -3.529 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.148 -5.471 -1.882 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.483 -1.698 -1.789 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.453 -3.119 -2.087 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.173 -2.863 -0.480 1.00 16.11 H new ATOM 20 N GLN A 2 9.695 -8.614 -2.092 1.00 9.27 N ATOM 21 CA GLN A 2 8.485 -8.909 -1.363 1.00 9.07 C ATOM 22 C GLN A 2 8.139 -7.919 -0.224 1.00 8.72 C ATOM 23 O GLN A 2 8.935 -7.519 0.641 1.00 8.22 O ATOM 24 CB GLN A 2 8.547 -10.346 -0.774 1.00 14.46 C ATOM 25 CG GLN A 2 8.800 -11.471 -1.854 1.00 17.01 C ATOM 26 CD GLN A 2 7.611 -12.004 -2.691 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.340 -13.204 -2.813 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.931 -11.158 -3.403 1.00 19.49 N ATOM 0 H GLN A 2 10.544 -8.979 -1.661 1.00 9.27 H new ATOM 0 HA GLN A 2 7.690 -8.811 -2.103 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.340 -10.388 -0.027 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.611 -10.557 -0.257 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.547 -11.092 -2.552 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.246 -12.323 -1.340 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.125 -10.159 -3.331 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.203 -11.492 -4.035 1.00 19.49 H new ATOM 37 N ILE A 3 6.843 -7.458 -0.252 1.00 5.87 N ATOM 38 CA ILE A 3 6.224 -6.744 0.845 1.00 5.07 C ATOM 39 C ILE A 3 4.791 -7.266 1.230 1.00 4.01 C ATOM 40 O ILE A 3 4.115 -7.951 0.465 1.00 4.61 O ATOM 41 CB ILE A 3 6.230 -5.222 0.650 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.295 -4.774 -0.488 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.706 -4.703 0.531 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.075 -3.232 -0.632 1.00 10.83 C ATOM 0 H ILE A 3 6.225 -7.588 -1.053 1.00 5.87 H new ATOM 0 HA ILE A 3 6.864 -6.967 1.699 1.00 5.07 H new ATOM 0 HB ILE A 3 5.807 -4.746 1.534 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.694 -5.153 -1.429 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.324 -5.247 -0.340 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.701 -3.622 0.393 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.253 -4.950 1.441 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.190 -5.176 -0.323 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.400 -3.037 -1.465 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.640 -2.839 0.287 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.032 -2.744 -0.819 1.00 10.83 H new ATOM 56 N PHE A 4 4.297 -6.916 2.449 1.00 4.55 N ATOM 57 CA PHE A 4 3.248 -7.595 3.143 1.00 4.68 C ATOM 58 C PHE A 4 2.213 -6.557 3.451 1.00 5.30 C ATOM 59 O PHE A 4 2.451 -5.604 4.210 1.00 5.58 O ATOM 60 CB PHE A 4 3.767 -8.369 4.408 1.00 4.83 C ATOM 61 CG PHE A 4 4.958 -9.244 4.145 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.004 -10.221 3.128 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.144 -9.144 4.928 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.149 -10.973 2.854 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.287 -9.878 4.683 1.00 10.61 C ATOM 66 CZ PHE A 4 7.271 -10.823 3.655 1.00 8.90 C ATOM 0 H PHE A 4 4.656 -6.115 2.968 1.00 4.55 H new ATOM 0 HA PHE A 4 2.812 -8.384 2.530 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.024 -7.646 5.183 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.958 -8.984 4.802 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.117 -10.395 2.537 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.149 -8.455 5.760 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.160 -11.665 2.025 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.177 -9.724 5.275 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.139 -11.442 3.482 1.00 8.90 H new ATOM 76 N VAL A 5 0.934 -6.781 3.048 1.00 4.44 N ATOM 77 CA VAL A 5 -0.167 -5.835 3.309 1.00 3.87 C ATOM 78 C VAL A 5 -1.173 -6.502 4.222 1.00 4.93 C ATOM 79 O VAL A 5 -1.735 -7.570 3.929 1.00 6.84 O ATOM 80 CB VAL A 5 -0.852 -5.343 1.998 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.995 -4.431 2.276 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.215 -4.702 1.090 1.00 9.13 C ATOM 0 H VAL A 5 0.646 -7.616 2.538 1.00 4.44 H new ATOM 0 HA VAL A 5 0.247 -4.948 3.789 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.287 -6.195 1.474 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.443 -4.112 1.335 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.741 -4.954 2.874 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.639 -3.558 2.823 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.253 -4.354 0.169 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.673 -3.858 1.606 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.981 -5.440 0.851 1.00 9.13 H new ATOM 92 N LYS A 6 -1.499 -5.811 5.395 1.00 6.04 N ATOM 93 CA LYS A 6 -2.332 -6.407 6.406 1.00 6.12 C ATOM 94 C LYS A 6 -3.711 -5.674 6.479 1.00 6.57 C ATOM 95 O LYS A 6 -3.767 -4.469 6.687 1.00 5.76 O ATOM 96 CB LYS A 6 -1.714 -6.366 7.808 1.00 7.45 C ATOM 97 CG LYS A 6 -0.324 -7.004 7.852 1.00 11.12 C ATOM 98 CD LYS A 6 -0.402 -8.555 7.973 1.00 14.54 C ATOM 99 CE LYS A 6 0.956 -9.163 8.089 1.00 18.84 C ATOM 100 NZ LYS A 6 0.792 -10.558 8.420 1.00 20.55 N ATOM 0 H LYS A 6 -1.180 -4.866 5.610 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.447 -7.450 6.109 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.646 -5.331 8.142 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.371 -6.884 8.507 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.227 -6.737 6.950 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.234 -6.601 8.697 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.998 -8.824 8.845 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.912 -8.964 7.101 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.503 -9.055 7.153 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.537 -8.654 8.858 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.612 -11.096 8.073 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.720 -10.664 9.452 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.074 -10.921 7.974 1.00 20.55 H new ATOM 114 N THR A 7 -4.864 -6.372 6.358 1.00 7.41 N ATOM 115 CA THR A 7 -6.222 -5.908 6.305 1.00 7.48 C ATOM 116 C THR A 7 -6.972 -6.184 7.618 1.00 8.75 C ATOM 117 O THR A 7 -6.570 -7.000 8.472 1.00 8.58 O ATOM 118 CB THR A 7 -6.993 -6.460 5.109 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.428 -7.807 5.309 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.089 -6.445 3.944 1.00 9.17 C ATOM 0 H THR A 7 -4.833 -7.389 6.289 1.00 7.41 H new ATOM 0 HA THR A 7 -6.163 -4.828 6.171 1.00 7.48 H new ATOM 0 HB THR A 7 -7.878 -5.840 4.964 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.917 -8.114 4.517 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.613 -6.835 3.072 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.767 -5.423 3.747 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.218 -7.066 4.151 1.00 9.17 H new ATOM 128 N LEU A 8 -8.074 -5.471 7.751 1.00 9.84 N ATOM 129 CA LEU A 8 -8.945 -5.562 8.896 1.00 14.15 C ATOM 130 C LEU A 8 -9.529 -6.977 9.111 1.00 17.37 C ATOM 131 O LEU A 8 -9.710 -7.358 10.259 1.00 17.01 O ATOM 132 CB LEU A 8 -10.066 -4.536 8.603 1.00 16.63 C ATOM 133 CG LEU A 8 -11.130 -4.319 9.697 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.580 -3.600 10.945 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.382 -3.573 9.145 1.00 18.59 C ATOM 0 H LEU A 8 -8.391 -4.801 7.050 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.401 -5.355 9.818 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.597 -3.575 8.393 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.578 -4.846 7.692 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.432 -5.317 10.013 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.379 -3.478 11.676 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.776 -4.192 11.381 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.196 -2.620 10.661 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.109 -3.439 9.946 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.084 -2.598 8.759 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.830 -4.159 8.343 1.00 18.59 H new ATOM 147 N THR A 9 -9.860 -7.822 8.048 1.00 18.33 N ATOM 148 CA THR A 9 -10.495 -9.068 8.229 1.00 19.24 C ATOM 149 C THR A 9 -9.396 -10.095 8.293 1.00 19.48 C ATOM 150 O THR A 9 -9.642 -11.294 8.202 1.00 23.14 O ATOM 151 CB THR A 9 -11.505 -9.403 7.097 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.947 -9.269 5.792 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.651 -8.371 7.190 1.00 19.70 C ATOM 0 H THR A 9 -9.666 -7.597 7.072 1.00 18.33 H new ATOM 0 HA THR A 9 -11.090 -9.052 9.142 1.00 19.24 H new ATOM 0 HB THR A 9 -11.822 -10.437 7.231 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.626 -9.494 5.121 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.385 -8.571 6.409 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.130 -8.446 8.166 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.248 -7.367 7.060 1.00 19.70 H new ATOM 161 N GLY A 10 -8.110 -9.694 8.570 1.00 19.43 N ATOM 162 CA GLY A 10 -7.012 -10.611 9.039 1.00 18.74 C ATOM 163 C GLY A 10 -6.236 -11.268 7.847 1.00 17.62 C ATOM 164 O GLY A 10 -5.445 -12.170 8.065 1.00 19.74 O ATOM 0 H GLY A 10 -7.806 -8.725 8.474 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.313 -10.050 9.659 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.438 -11.393 9.667 1.00 18.74 H new ATOM 168 N LYS A 11 -6.471 -10.855 6.606 1.00 13.56 N ATOM 169 CA LYS A 11 -5.677 -11.238 5.436 1.00 11.91 C ATOM 170 C LYS A 11 -4.199 -10.708 5.514 1.00 10.18 C ATOM 171 O LYS A 11 -3.891 -9.620 6.025 1.00 9.10 O ATOM 172 CB LYS A 11 -6.362 -10.875 4.108 1.00 13.43 C ATOM 173 CG LYS A 11 -5.745 -11.702 2.906 1.00 16.69 C ATOM 174 CD LYS A 11 -6.821 -11.779 1.781 1.00 17.92 C ATOM 175 CE LYS A 11 -6.479 -12.772 0.640 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.607 -12.800 -0.375 1.00 21.93 N ATOM 0 H LYS A 11 -7.241 -10.226 6.376 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.615 -12.326 5.456 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.431 -11.074 4.180 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.249 -9.808 3.916 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.839 -11.221 2.536 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.464 -12.702 3.235 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.774 -12.067 2.225 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.956 -10.785 1.354 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.549 -12.476 0.155 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.321 -13.770 1.049 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.559 -13.683 -0.923 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.520 -12.748 0.120 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.515 -11.988 -1.019 1.00 21.93 H new ATOM 190 N THR A 12 -3.307 -11.458 4.831 1.00 9.63 N ATOM 191 CA THR A 12 -1.976 -10.987 4.447 1.00 9.85 C ATOM 192 C THR A 12 -1.925 -11.187 2.962 1.00 11.66 C ATOM 193 O THR A 12 -2.000 -12.273 2.418 1.00 12.33 O ATOM 194 CB THR A 12 -0.779 -11.619 5.072 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.892 -11.684 6.484 1.00 10.91 O ATOM 196 CG2 THR A 12 0.468 -10.750 4.766 1.00 9.63 C ATOM 0 H THR A 12 -3.501 -12.414 4.532 1.00 9.63 H new ATOM 0 HA THR A 12 -1.891 -9.962 4.807 1.00 9.85 H new ATOM 0 HB THR A 12 -0.695 -12.627 4.665 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.266 -12.353 6.832 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.349 -11.205 5.220 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.609 -10.683 3.687 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.324 -9.750 5.176 1.00 9.63 H new ATOM 204 N ILE A 13 -1.686 -10.066 2.210 1.00 10.42 N ATOM 205 CA ILE A 13 -1.509 -10.000 0.788 1.00 11.84 C ATOM 206 C ILE A 13 -0.012 -9.777 0.614 1.00 10.55 C ATOM 207 O ILE A 13 0.558 -8.863 1.213 1.00 11.92 O ATOM 208 CB ILE A 13 -2.303 -8.921 0.032 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.727 -9.020 0.433 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.126 -9.220 -1.449 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.468 -7.735 -0.057 1.00 16.46 C ATOM 0 H ILE A 13 -1.614 -9.146 2.644 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.901 -10.917 0.347 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.960 -7.911 0.254 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.182 -9.910 -0.002 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.810 -9.116 1.516 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.671 -8.482 -2.037 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.067 -9.178 -1.705 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.513 -10.215 -1.668 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.518 -7.789 0.229 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.013 -6.856 0.399 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.391 -7.662 -1.142 1.00 16.46 H new ATOM 223 N THR A 14 0.654 -10.675 -0.159 1.00 9.39 N ATOM 224 CA THR A 14 2.064 -10.585 -0.422 1.00 9.63 C ATOM 225 C THR A 14 2.344 -10.051 -1.791 1.00 11.20 C ATOM 226 O THR A 14 1.909 -10.606 -2.792 1.00 11.63 O ATOM 227 CB THR A 14 2.847 -11.846 -0.064 1.00 10.38 C ATOM 228 OG1 THR A 14 2.645 -12.228 1.289 1.00 16.30 O ATOM 229 CG2 THR A 14 4.356 -11.566 -0.224 1.00 11.66 C ATOM 0 H THR A 14 0.202 -11.473 -0.605 1.00 9.39 H new ATOM 0 HA THR A 14 2.457 -9.843 0.273 1.00 9.63 H new ATOM 0 HB THR A 14 2.500 -12.640 -0.725 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.160 -13.039 1.480 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.921 -12.463 0.030 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.566 -11.285 -1.256 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.648 -10.753 0.441 1.00 11.66 H new ATOM 237 N LEU A 15 3.100 -8.929 -1.949 1.00 8.29 N ATOM 238 CA LEU A 15 3.292 -8.316 -3.246 1.00 9.03 C ATOM 239 C LEU A 15 4.677 -8.502 -3.736 1.00 8.59 C ATOM 240 O LEU A 15 5.651 -8.685 -2.969 1.00 7.79 O ATOM 241 CB LEU A 15 3.050 -6.754 -3.177 1.00 11.08 C ATOM 242 CG LEU A 15 1.712 -6.299 -2.495 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.689 -4.793 -2.435 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.483 -6.890 -3.233 1.00 15.27 C ATOM 0 H LEU A 15 3.574 -8.451 -1.183 1.00 8.29 H new ATOM 0 HA LEU A 15 2.578 -8.797 -3.915 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.882 -6.300 -2.639 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.072 -6.357 -4.192 1.00 11.08 H new ATOM 0 HG LEU A 15 1.660 -6.683 -1.476 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.764 -4.462 -1.963 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.540 -4.439 -1.853 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.746 -4.388 -3.445 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.431 -6.559 -2.740 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.481 -6.548 -4.268 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.534 -7.979 -3.210 1.00 15.27 H new ATOM 256 N GLU A 16 4.858 -8.358 -5.064 1.00 11.04 N ATOM 257 CA GLU A 16 6.130 -8.307 -5.749 1.00 11.50 C ATOM 258 C GLU A 16 6.286 -6.955 -6.419 1.00 10.13 C ATOM 259 O GLU A 16 5.480 -6.657 -7.301 1.00 9.83 O ATOM 260 CB GLU A 16 6.243 -9.423 -6.824 1.00 17.22 C ATOM 261 CG GLU A 16 7.375 -9.270 -7.851 1.00 23.33 C ATOM 262 CD GLU A 16 8.747 -9.354 -7.261 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.210 -10.455 -6.882 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.447 -8.315 -7.191 1.00 28.90 O ATOM 0 H GLU A 16 4.070 -8.271 -5.705 1.00 11.04 H new ATOM 0 HA GLU A 16 6.918 -8.461 -5.011 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.372 -10.377 -6.313 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.297 -9.475 -7.363 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.269 -10.044 -8.611 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.266 -8.310 -8.356 1.00 23.33 H new ATOM 271 N VAL A 17 7.107 -6.109 -5.912 1.00 8.99 N ATOM 272 CA VAL A 17 7.159 -4.723 -6.274 1.00 8.85 C ATOM 273 C VAL A 17 8.651 -4.312 -6.448 1.00 8.04 C ATOM 274 O VAL A 17 9.559 -4.896 -5.860 1.00 8.99 O ATOM 275 CB VAL A 17 6.574 -3.885 -5.170 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.067 -4.153 -5.011 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.377 -3.970 -3.913 1.00 10.54 C ATOM 0 H VAL A 17 7.794 -6.365 -5.203 1.00 8.99 H new ATOM 0 HA VAL A 17 6.598 -4.569 -7.196 1.00 8.85 H new ATOM 0 HB VAL A 17 6.645 -2.834 -5.451 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.670 -3.534 -4.206 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.554 -3.911 -5.942 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.908 -5.205 -4.772 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.917 -3.349 -3.144 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.410 -5.005 -3.572 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.391 -3.618 -4.104 1.00 10.54 H new ATOM 287 N GLU A 18 8.928 -3.276 -7.238 1.00 7.29 N ATOM 288 CA GLU A 18 10.260 -2.694 -7.346 1.00 7.08 C ATOM 289 C GLU A 18 10.269 -1.412 -6.550 1.00 6.45 C ATOM 290 O GLU A 18 9.151 -0.821 -6.472 1.00 5.28 O ATOM 291 CB GLU A 18 10.709 -2.394 -8.818 1.00 10.28 C ATOM 292 CG GLU A 18 10.667 -3.555 -9.738 1.00 12.65 C ATOM 293 CD GLU A 18 11.569 -4.714 -9.361 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.764 -4.525 -8.941 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.179 -5.879 -9.572 1.00 14.33 O ATOM 0 H GLU A 18 8.230 -2.816 -7.823 1.00 7.29 H new ATOM 0 HA GLU A 18 10.970 -3.426 -6.961 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.072 -1.607 -9.222 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.726 -2.003 -8.798 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.641 -3.918 -9.792 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.938 -3.215 -10.738 1.00 12.65 H new ATOM 302 N PRO A 19 11.382 -0.933 -5.889 1.00 7.24 N ATOM 303 CA PRO A 19 11.395 0.295 -5.094 1.00 7.07 C ATOM 304 C PRO A 19 11.078 1.562 -5.935 1.00 6.65 C ATOM 305 O PRO A 19 10.679 2.579 -5.356 1.00 6.37 O ATOM 306 CB PRO A 19 12.797 0.345 -4.566 1.00 7.61 C ATOM 307 CG PRO A 19 13.719 -0.476 -5.509 1.00 8.16 C ATOM 308 CD PRO A 19 12.692 -1.544 -5.968 1.00 7.49 C ATOM 0 HA PRO A 19 10.630 0.285 -4.318 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.141 1.378 -4.507 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.834 -0.061 -3.555 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.112 0.115 -6.336 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.575 -0.908 -4.991 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.904 -1.871 -6.986 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.744 -2.428 -5.332 1.00 7.49 H new ATOM 316 N SER A 20 11.180 1.458 -7.221 1.00 6.80 N ATOM 317 CA SER A 20 10.852 2.491 -8.178 1.00 6.28 C ATOM 318 C SER A 20 9.460 2.595 -8.723 1.00 8.45 C ATOM 319 O SER A 20 9.070 3.551 -9.440 1.00 7.26 O ATOM 320 CB SER A 20 11.897 2.231 -9.305 1.00 8.57 C ATOM 321 OG SER A 20 11.744 0.919 -9.772 1.00 11.13 O ATOM 0 H SER A 20 11.513 0.604 -7.668 1.00 6.80 H new ATOM 0 HA SER A 20 10.890 3.456 -7.673 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.756 2.940 -10.121 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.907 2.380 -8.924 1.00 8.57 H new ATOM 0 HG SER A 20 12.446 0.352 -9.390 1.00 11.13 H new ATOM 327 N ASP A 21 8.593 1.668 -8.365 1.00 7.50 N ATOM 328 CA ASP A 21 7.172 1.699 -8.435 1.00 7.70 C ATOM 329 C ASP A 21 6.550 2.798 -7.549 1.00 7.08 C ATOM 330 O ASP A 21 7.135 3.127 -6.491 1.00 8.11 O ATOM 331 CB ASP A 21 6.682 0.293 -8.078 1.00 11.00 C ATOM 332 CG ASP A 21 7.004 -0.832 -9.083 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.416 -0.573 -10.226 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.901 -2.014 -8.639 1.00 18.03 O ATOM 0 H ASP A 21 8.920 0.783 -7.977 1.00 7.50 H new ATOM 0 HA ASP A 21 6.849 1.966 -9.441 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.109 0.019 -7.113 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.601 0.333 -7.948 1.00 11.00 H new ATOM 339 N THR A 22 5.469 3.546 -7.971 1.00 5.37 N ATOM 340 CA THR A 22 4.861 4.555 -7.073 1.00 6.01 C ATOM 341 C THR A 22 4.019 3.893 -6.022 1.00 8.01 C ATOM 342 O THR A 22 3.468 2.840 -6.213 1.00 8.11 O ATOM 343 CB THR A 22 4.015 5.685 -7.673 1.00 8.92 C ATOM 344 OG1 THR A 22 2.926 5.287 -8.415 1.00 10.22 O ATOM 345 CG2 THR A 22 4.861 6.563 -8.550 1.00 9.65 C ATOM 0 H THR A 22 5.030 3.464 -8.888 1.00 5.37 H new ATOM 0 HA THR A 22 5.757 5.047 -6.694 1.00 6.01 H new ATOM 0 HB THR A 22 3.629 6.211 -6.800 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.205 4.613 -9.069 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.246 7.360 -8.968 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.667 6.998 -7.960 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.285 5.969 -9.360 1.00 9.65 H new ATOM 353 N ILE A 23 3.724 4.535 -4.850 1.00 8.32 N ATOM 354 CA ILE A 23 2.672 4.082 -3.934 1.00 9.92 C ATOM 355 C ILE A 23 1.319 3.870 -4.633 1.00 10.01 C ATOM 356 O ILE A 23 0.593 2.874 -4.441 1.00 8.71 O ATOM 357 CB ILE A 23 2.361 5.100 -2.853 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.682 5.460 -2.079 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.289 4.598 -1.867 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.408 4.265 -1.443 1.00 12.30 C ATOM 0 H ILE A 23 4.214 5.371 -4.532 1.00 8.32 H new ATOM 0 HA ILE A 23 3.077 3.154 -3.530 1.00 9.92 H new ATOM 0 HB ILE A 23 1.957 5.988 -3.338 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.365 5.956 -2.768 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.442 6.179 -1.296 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.102 5.362 -1.113 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.366 4.389 -2.408 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.639 3.687 -1.381 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.306 4.614 -0.933 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.748 3.779 -0.724 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.686 3.553 -2.220 1.00 12.30 H new ATOM 372 N GLU A 24 0.869 4.760 -5.584 1.00 9.54 N ATOM 373 CA GLU A 24 -0.294 4.567 -6.429 1.00 11.81 C ATOM 374 C GLU A 24 -0.227 3.275 -7.241 1.00 11.14 C ATOM 375 O GLU A 24 -1.227 2.595 -7.336 1.00 10.62 O ATOM 376 CB GLU A 24 -0.475 5.781 -7.341 1.00 19.24 C ATOM 377 CG GLU A 24 -1.834 5.930 -8.046 1.00 27.76 C ATOM 378 CD GLU A 24 -1.954 7.300 -8.682 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.989 8.111 -8.603 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.993 7.584 -9.347 1.00 34.80 O ATOM 0 H GLU A 24 1.342 5.646 -5.763 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.163 4.470 -5.778 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.301 6.679 -6.748 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.301 5.749 -8.106 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.942 5.158 -8.808 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.641 5.784 -7.328 1.00 27.76 H new ATOM 387 N ASN A 25 0.928 2.851 -7.848 1.00 9.43 N ATOM 388 CA ASN A 25 1.158 1.487 -8.362 1.00 10.96 C ATOM 389 C ASN A 25 1.017 0.359 -7.361 1.00 9.68 C ATOM 390 O ASN A 25 0.536 -0.674 -7.763 1.00 9.33 O ATOM 391 CB ASN A 25 2.507 1.391 -9.071 1.00 16.78 C ATOM 392 CG ASN A 25 2.773 2.425 -10.200 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.576 3.372 -10.177 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.116 2.106 -11.338 1.00 24.70 N ATOM 0 H ASN A 25 1.728 3.468 -7.989 1.00 9.43 H new ATOM 0 HA ASN A 25 0.339 1.336 -9.065 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.293 1.493 -8.323 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.599 0.391 -9.496 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.278 2.645 -12.189 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.459 1.326 -11.346 1.00 24.70 H new ATOM 401 N VAL A 26 1.429 0.529 -6.108 1.00 6.52 N ATOM 402 CA VAL A 26 1.327 -0.406 -5.079 1.00 5.53 C ATOM 403 C VAL A 26 -0.135 -0.696 -4.817 1.00 4.42 C ATOM 404 O VAL A 26 -0.515 -1.860 -4.791 1.00 3.40 O ATOM 405 CB VAL A 26 2.177 -0.054 -3.825 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.796 -1.019 -2.651 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.643 -0.172 -4.265 1.00 8.12 C ATOM 0 H VAL A 26 1.868 1.397 -5.801 1.00 6.52 H new ATOM 0 HA VAL A 26 1.786 -1.341 -5.399 1.00 5.53 H new ATOM 0 HB VAL A 26 1.996 0.953 -3.449 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.391 -0.774 -1.771 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.737 -0.906 -2.416 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.994 -2.049 -2.948 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.295 0.064 -3.424 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.841 -1.189 -4.603 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.835 0.525 -5.081 1.00 8.12 H new ATOM 417 N LYS A 27 -0.904 0.422 -4.690 1.00 2.64 N ATOM 418 CA LYS A 27 -2.359 0.292 -4.685 1.00 4.14 C ATOM 419 C LYS A 27 -3.021 -0.358 -5.934 1.00 5.58 C ATOM 420 O LYS A 27 -3.917 -1.243 -5.813 1.00 4.11 O ATOM 421 CB LYS A 27 -3.145 1.579 -4.396 1.00 3.97 C ATOM 422 CG LYS A 27 -2.792 2.078 -3.007 1.00 7.45 C ATOM 423 CD LYS A 27 -3.513 3.280 -2.437 1.00 9.02 C ATOM 424 CE LYS A 27 -3.278 4.522 -3.197 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.329 5.554 -3.007 1.00 15.47 N ATOM 0 H LYS A 27 -0.547 1.373 -4.595 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.439 -0.399 -3.846 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.907 2.339 -5.140 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.216 1.389 -4.466 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.943 1.249 -2.315 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.726 2.306 -3.004 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.583 3.075 -2.414 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.195 3.429 -1.405 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.315 4.940 -2.902 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.209 4.279 -4.257 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.023 6.446 -3.445 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.213 5.235 -3.452 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.488 5.704 -1.990 1.00 15.47 H new ATOM 439 N ALA A 28 -2.637 -0.097 -7.202 1.00 6.61 N ATOM 440 CA ALA A 28 -3.157 -0.954 -8.301 1.00 7.74 C ATOM 441 C ALA A 28 -2.808 -2.407 -8.204 1.00 9.17 C ATOM 442 O ALA A 28 -3.647 -3.288 -8.437 1.00 11.45 O ATOM 443 CB ALA A 28 -2.504 -0.387 -9.595 1.00 7.68 C ATOM 0 H ALA A 28 -2.007 0.653 -7.486 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.246 -0.922 -8.271 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.838 -0.967 -10.455 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.797 0.655 -9.724 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.419 -0.451 -9.513 1.00 7.68 H new ATOM 449 N LYS A 29 -1.543 -2.710 -7.802 1.00 8.96 N ATOM 450 CA LYS A 29 -1.207 -4.141 -7.492 1.00 7.90 C ATOM 451 C LYS A 29 -2.017 -4.838 -6.429 1.00 6.92 C ATOM 452 O LYS A 29 -2.453 -5.963 -6.607 1.00 6.87 O ATOM 453 CB LYS A 29 0.306 -4.207 -7.211 1.00 10.28 C ATOM 454 CG LYS A 29 0.776 -5.651 -7.244 1.00 14.94 C ATOM 455 CD LYS A 29 2.322 -5.682 -7.587 1.00 19.69 C ATOM 456 CE LYS A 29 2.593 -5.427 -9.047 1.00 22.63 C ATOM 457 NZ LYS A 29 4.042 -5.476 -9.322 1.00 24.98 N ATOM 0 H LYS A 29 -0.782 -2.041 -7.688 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.493 -4.718 -8.371 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.848 -3.622 -7.954 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.523 -3.767 -6.238 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.594 -6.128 -6.281 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.214 -6.213 -7.989 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.839 -4.932 -6.988 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.734 -6.652 -7.308 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.077 -6.171 -9.654 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.196 -4.453 -9.331 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.373 -4.532 -9.607 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.548 -5.777 -8.465 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.227 -6.154 -10.089 1.00 24.98 H new ATOM 471 N ILE A 30 -2.351 -4.193 -5.288 1.00 4.57 N ATOM 472 CA ILE A 30 -3.454 -4.680 -4.372 1.00 5.58 C ATOM 473 C ILE A 30 -4.859 -4.811 -4.941 1.00 7.26 C ATOM 474 O ILE A 30 -5.657 -5.670 -4.628 1.00 9.46 O ATOM 475 CB ILE A 30 -3.489 -3.826 -3.116 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.051 -3.714 -2.535 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.372 -4.526 -2.036 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.062 -2.638 -1.434 1.00 2.00 C ATOM 0 H ILE A 30 -1.890 -3.342 -4.966 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.171 -5.714 -4.175 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.889 -2.843 -3.366 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.730 -4.672 -2.127 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.343 -3.448 -3.320 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.398 -3.914 -1.134 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.385 -4.651 -2.419 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -3.951 -5.503 -1.799 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.062 -2.541 -1.010 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.369 -1.683 -1.861 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.762 -2.927 -0.650 1.00 2.00 H new ATOM 490 N GLN A 31 -5.263 -3.879 -5.852 1.00 7.06 N ATOM 491 CA GLN A 31 -6.528 -4.032 -6.560 1.00 8.67 C ATOM 492 C GLN A 31 -6.593 -5.352 -7.487 1.00 10.90 C ATOM 493 O GLN A 31 -7.560 -6.090 -7.573 1.00 9.63 O ATOM 494 CB GLN A 31 -6.743 -2.828 -7.525 1.00 9.12 C ATOM 495 CG GLN A 31 -8.038 -2.997 -8.325 1.00 10.76 C ATOM 496 CD GLN A 31 -8.178 -1.784 -9.294 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.145 -1.389 -9.854 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.370 -1.317 -9.597 1.00 14.76 N ATOM 0 H GLN A 31 -4.733 -3.042 -6.095 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.287 -4.098 -5.781 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.782 -1.901 -6.954 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.897 -2.747 -8.207 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.018 -3.931 -8.887 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.895 -3.047 -7.653 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.195 -1.670 -9.111 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.470 -0.602 -10.318 1.00 14.76 H new ATOM 507 N ASP A 32 -5.450 -5.594 -8.174 1.00 10.93 N ATOM 508 CA ASP A 32 -5.206 -6.820 -8.925 1.00 14.01 C ATOM 509 C ASP A 32 -5.160 -8.063 -8.073 1.00 14.04 C ATOM 510 O ASP A 32 -5.679 -9.112 -8.457 1.00 13.39 O ATOM 511 CB ASP A 32 -3.868 -6.670 -9.637 1.00 18.01 C ATOM 512 CG ASP A 32 -3.875 -7.355 -11.044 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.634 -6.922 -11.907 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.011 -8.257 -11.280 1.00 26.29 O ATOM 0 H ASP A 32 -4.676 -4.931 -8.214 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.040 -6.949 -9.614 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.634 -5.611 -9.750 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.080 -7.107 -9.024 1.00 18.01 H new ATOM 519 N LYS A 33 -4.560 -8.023 -6.887 1.00 14.22 N ATOM 520 CA LYS A 33 -4.623 -9.142 -5.922 1.00 14.00 C ATOM 521 C LYS A 33 -5.989 -9.312 -5.243 1.00 12.37 C ATOM 522 O LYS A 33 -6.337 -10.404 -4.845 1.00 12.17 O ATOM 523 CB LYS A 33 -3.640 -8.857 -4.825 1.00 18.62 C ATOM 524 CG LYS A 33 -2.181 -8.929 -5.337 1.00 24.00 C ATOM 525 CD LYS A 33 -1.625 -10.349 -5.206 1.00 27.61 C ATOM 526 CE LYS A 33 -0.165 -10.426 -5.517 1.00 27.64 C ATOM 527 NZ LYS A 33 0.510 -11.629 -4.946 1.00 30.06 N ATOM 0 H LYS A 33 -4.017 -7.224 -6.559 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.414 -10.050 -6.488 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.833 -7.867 -4.411 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.778 -9.574 -4.016 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.141 -8.614 -6.380 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.558 -8.237 -4.771 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.796 -10.710 -4.192 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.171 -11.012 -5.877 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.033 -10.426 -6.599 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.326 -9.530 -5.136 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.054 -11.355 -4.103 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.206 -12.336 -4.681 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 1.153 -12.036 -5.655 1.00 30.06 H new ATOM 541 N GLU A 34 -6.722 -8.244 -5.059 1.00 10.11 N ATOM 542 CA GLU A 34 -7.952 -8.183 -4.260 1.00 10.07 C ATOM 543 C GLU A 34 -9.121 -7.576 -5.008 1.00 9.32 C ATOM 544 O GLU A 34 -10.098 -8.302 -5.223 1.00 11.61 O ATOM 545 CB GLU A 34 -7.825 -7.356 -2.897 1.00 14.77 C ATOM 546 CG GLU A 34 -7.240 -8.097 -1.726 1.00 18.75 C ATOM 547 CD GLU A 34 -8.178 -9.152 -1.213 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.171 -8.742 -0.552 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.955 -10.350 -1.461 1.00 25.19 O ATOM 0 H GLU A 34 -6.480 -7.345 -5.474 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.127 -9.235 -4.037 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.212 -6.475 -3.086 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.817 -7.001 -2.617 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.298 -8.560 -2.021 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.012 -7.392 -0.926 1.00 18.75 H new ATOM 556 N GLY A 35 -9.116 -6.273 -5.328 1.00 7.22 N ATOM 557 CA GLY A 35 -10.265 -5.706 -6.036 1.00 6.29 C ATOM 558 C GLY A 35 -10.667 -4.294 -5.647 1.00 6.93 C ATOM 559 O GLY A 35 -11.358 -3.640 -6.416 1.00 7.41 O ATOM 0 H GLY A 35 -8.362 -5.619 -5.117 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.048 -5.718 -7.104 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.122 -6.361 -5.878 1.00 6.29 H new ATOM 563 N ILE A 36 -10.303 -3.783 -4.475 1.00 5.86 N ATOM 564 CA ILE A 36 -10.614 -2.481 -3.964 1.00 6.07 C ATOM 565 C ILE A 36 -10.181 -1.377 -4.929 1.00 6.36 C ATOM 566 O ILE A 36 -8.980 -1.349 -5.178 1.00 6.18 O ATOM 567 CB ILE A 36 -10.005 -2.294 -2.614 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.215 -3.466 -1.596 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.468 -1.020 -1.975 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.121 -3.446 -0.434 1.00 9.49 C ATOM 0 H ILE A 36 -9.739 -4.322 -3.818 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.697 -2.408 -3.864 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.937 -2.265 -2.830 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.211 -3.393 -1.159 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.167 -4.419 -2.124 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.005 -0.916 -0.994 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.184 -0.175 -2.602 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.552 -1.042 -1.864 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.302 -4.275 0.251 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.126 -3.545 -0.869 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.186 -2.504 0.111 1.00 9.49 H new ATOM 582 N PRO A 37 -11.037 -0.445 -5.492 1.00 8.65 N ATOM 583 CA PRO A 37 -10.595 0.805 -6.104 1.00 9.18 C ATOM 584 C PRO A 37 -9.280 1.469 -5.490 1.00 9.85 C ATOM 585 O PRO A 37 -9.353 1.630 -4.282 1.00 8.51 O ATOM 586 CB PRO A 37 -11.838 1.740 -5.963 1.00 11.42 C ATOM 587 CG PRO A 37 -13.060 0.792 -5.713 1.00 9.27 C ATOM 588 CD PRO A 37 -12.367 -0.287 -4.970 1.00 8.33 C ATOM 0 HA PRO A 37 -10.279 0.623 -7.131 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.710 2.439 -5.136 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.983 2.336 -6.864 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.849 1.266 -5.129 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.516 0.440 -6.638 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.327 -0.045 -3.908 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.920 -1.222 -5.063 1.00 8.33 H new ATOM 596 N PRO A 38 -8.211 1.859 -6.156 1.00 8.71 N ATOM 597 CA PRO A 38 -7.014 2.487 -5.566 1.00 9.08 C ATOM 598 C PRO A 38 -7.279 3.829 -4.967 1.00 9.28 C ATOM 599 O PRO A 38 -6.500 4.272 -4.131 1.00 6.50 O ATOM 600 CB PRO A 38 -6.021 2.558 -6.711 1.00 10.31 C ATOM 601 CG PRO A 38 -6.372 1.302 -7.594 1.00 10.81 C ATOM 602 CD PRO A 38 -7.904 1.308 -7.491 1.00 12.00 C ATOM 0 HA PRO A 38 -6.640 1.906 -4.723 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.127 3.485 -7.275 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.993 2.519 -6.351 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.025 1.408 -8.622 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.934 0.384 -7.202 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.347 1.918 -8.278 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.308 0.302 -7.602 1.00 12.00 H new ATOM 610 N ASP A 39 -8.388 4.551 -5.382 1.00 11.20 N ATOM 611 CA ASP A 39 -8.806 5.787 -4.807 1.00 14.96 C ATOM 612 C ASP A 39 -9.487 5.495 -3.493 1.00 13.99 C ATOM 613 O ASP A 39 -9.385 6.223 -2.495 1.00 13.75 O ATOM 614 CB ASP A 39 -9.724 6.471 -5.837 1.00 24.16 C ATOM 615 CG ASP A 39 -9.873 7.925 -5.502 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.805 8.571 -5.408 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.964 8.410 -5.241 1.00 35.55 O ATOM 0 H ASP A 39 -8.992 4.239 -6.143 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.979 6.462 -4.587 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.308 6.360 -6.838 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.701 5.988 -5.843 1.00 24.16 H new ATOM 622 N GLN A 40 -10.279 4.419 -3.352 1.00 11.60 N ATOM 623 CA GLN A 40 -10.842 3.996 -2.091 1.00 10.76 C ATOM 624 C GLN A 40 -9.704 3.483 -1.201 1.00 8.01 C ATOM 625 O GLN A 40 -9.717 3.782 0.000 1.00 8.96 O ATOM 626 CB GLN A 40 -11.905 2.879 -2.293 1.00 11.14 C ATOM 627 CG GLN A 40 -12.735 2.399 -1.077 1.00 14.85 C ATOM 628 CD GLN A 40 -13.770 1.284 -1.281 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.751 0.230 -0.615 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.744 1.434 -2.209 1.00 18.16 N ATOM 0 H GLN A 40 -10.541 3.819 -4.134 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.342 4.843 -1.620 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.606 3.226 -3.052 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.393 2.009 -2.705 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.035 2.063 -0.312 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.259 3.265 -0.672 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.787 2.285 -2.770 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.435 0.696 -2.347 1.00 18.16 H new ATOM 639 N GLN A 41 -8.648 2.829 -1.714 1.00 6.52 N ATOM 640 CA GLN A 41 -7.549 2.303 -0.926 1.00 3.87 C ATOM 641 C GLN A 41 -6.726 3.404 -0.197 1.00 4.79 C ATOM 642 O GLN A 41 -6.303 4.452 -0.730 1.00 6.34 O ATOM 643 CB GLN A 41 -6.644 1.334 -1.648 1.00 4.20 C ATOM 644 CG GLN A 41 -7.192 0.012 -2.111 1.00 3.20 C ATOM 645 CD GLN A 41 -6.105 -0.715 -2.907 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.013 -0.866 -2.371 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.433 -1.219 -4.124 1.00 7.13 N ATOM 0 H GLN A 41 -8.544 2.654 -2.713 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.060 1.713 -0.165 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.248 1.848 -2.524 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.799 1.125 -0.992 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.501 -0.590 -1.256 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.076 0.165 -2.730 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.362 -1.054 -4.511 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.750 -1.762 -4.652 1.00 7.13 H new ATOM 656 N ARG A 42 -6.303 3.124 1.076 1.00 5.73 N ATOM 657 CA ARG A 42 -5.266 3.847 1.785 1.00 6.97 C ATOM 658 C ARG A 42 -4.171 2.855 2.365 1.00 7.15 C ATOM 659 O ARG A 42 -4.545 1.838 2.977 1.00 7.33 O ATOM 660 CB ARG A 42 -5.796 4.680 2.906 1.00 13.23 C ATOM 661 CG ARG A 42 -6.306 6.054 2.398 1.00 21.27 C ATOM 662 CD ARG A 42 -6.938 6.928 3.482 1.00 26.14 C ATOM 663 NE ARG A 42 -7.317 8.256 2.934 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.823 9.250 3.656 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.402 9.027 4.884 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.927 10.493 3.157 1.00 36.39 N ATOM 0 H ARG A 42 -6.702 2.364 1.627 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.818 4.513 1.048 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.608 4.150 3.403 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.014 4.833 3.649 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.472 6.595 1.951 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.039 5.888 1.608 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.820 6.432 3.887 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.237 7.056 4.307 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.179 8.415 1.936 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.450 8.080 5.261 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.783 9.808 5.418 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.614 10.689 2.206 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.319 11.241 3.729 1.00 36.39 H new ATOM 680 N LEU A 43 -2.858 3.216 2.275 1.00 4.65 N ATOM 681 CA LEU A 43 -1.891 2.411 2.855 1.00 3.51 C ATOM 682 C LEU A 43 -1.082 3.210 3.957 1.00 5.56 C ATOM 683 O LEU A 43 -0.610 4.310 3.747 1.00 4.19 O ATOM 684 CB LEU A 43 -0.857 2.048 1.699 1.00 3.74 C ATOM 685 CG LEU A 43 0.014 0.762 1.946 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.886 -0.418 2.377 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.702 0.457 0.627 1.00 6.41 C ATOM 0 H LEU A 43 -2.510 4.051 1.805 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.361 1.539 3.311 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.410 1.917 0.769 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.188 2.896 1.555 1.00 3.74 H new ATOM 0 HG LEU A 43 0.742 0.918 2.742 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.271 -1.302 2.545 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.409 -0.159 3.298 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.614 -0.626 1.593 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.324 -0.431 0.738 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.049 0.280 -0.143 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.325 1.303 0.338 1.00 6.41 H new ATOM 699 N ILE A 44 -0.901 2.649 5.168 1.00 4.58 N ATOM 700 CA ILE A 44 -0.218 3.265 6.319 1.00 5.55 C ATOM 701 C ILE A 44 0.955 2.392 6.636 1.00 5.46 C ATOM 702 O ILE A 44 0.761 1.225 6.871 1.00 6.04 O ATOM 703 CB ILE A 44 -1.111 3.357 7.625 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.402 4.129 7.351 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.230 3.989 8.715 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.412 4.133 8.459 1.00 13.90 C ATOM 0 H ILE A 44 -1.243 1.711 5.379 1.00 4.58 H new ATOM 0 HA ILE A 44 0.045 4.286 6.043 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.445 2.376 7.962 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.142 5.162 7.119 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.870 3.710 6.460 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.801 4.075 9.640 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.644 3.361 8.886 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.092 4.980 8.394 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.285 4.710 8.153 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.713 3.109 8.681 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.973 4.583 9.350 1.00 13.90 H new ATOM 718 N PHE A 45 2.223 2.954 6.691 1.00 6.75 N ATOM 719 CA PHE A 45 3.412 2.244 7.010 1.00 4.70 C ATOM 720 C PHE A 45 4.069 3.022 8.161 1.00 6.34 C ATOM 721 O PHE A 45 4.548 4.093 7.941 1.00 5.45 O ATOM 722 CB PHE A 45 4.409 2.218 5.834 1.00 5.51 C ATOM 723 CG PHE A 45 5.676 1.518 6.193 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.664 0.158 6.627 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.952 2.116 5.970 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.871 -0.544 6.801 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.159 1.428 6.240 1.00 6.64 C ATOM 728 CZ PHE A 45 8.092 0.092 6.644 1.00 6.84 C ATOM 0 H PHE A 45 2.390 3.942 6.501 1.00 6.75 H new ATOM 0 HA PHE A 45 3.164 1.212 7.259 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.949 1.721 4.980 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.633 3.239 5.526 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.723 -0.335 6.823 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.998 3.123 5.584 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.845 -1.592 7.060 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.112 1.925 6.136 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.005 -0.452 6.837 1.00 6.84 H new ATOM 738 N ALA A 46 4.187 2.335 9.321 1.00 6.53 N ATOM 739 CA ALA A 46 4.921 2.709 10.572 1.00 7.15 C ATOM 740 C ALA A 46 4.451 4.111 11.054 1.00 9.00 C ATOM 741 O ALA A 46 5.208 5.040 11.292 1.00 11.15 O ATOM 742 CB ALA A 46 6.478 2.542 10.570 1.00 8.99 C ATOM 0 H ALA A 46 3.736 1.426 9.424 1.00 6.53 H new ATOM 0 HA ALA A 46 4.640 1.951 11.304 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.878 2.849 11.536 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.732 1.498 10.387 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.910 3.163 9.785 1.00 8.99 H new ATOM 748 N GLY A 47 3.111 4.330 11.181 1.00 9.35 N ATOM 749 CA GLY A 47 2.469 5.527 11.616 1.00 11.68 C ATOM 750 C GLY A 47 2.256 6.589 10.514 1.00 11.14 C ATOM 751 O GLY A 47 1.656 7.673 10.725 1.00 13.93 O ATOM 0 H GLY A 47 2.435 3.599 10.957 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.500 5.268 12.042 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.062 5.969 12.417 1.00 11.68 H new ATOM 755 N LYS A 48 2.790 6.396 9.280 1.00 10.47 N ATOM 756 CA LYS A 48 2.722 7.334 8.168 1.00 8.82 C ATOM 757 C LYS A 48 1.825 6.879 7.070 1.00 7.68 C ATOM 758 O LYS A 48 2.125 5.921 6.376 1.00 6.47 O ATOM 759 CB LYS A 48 4.096 7.499 7.501 1.00 9.74 C ATOM 760 CG LYS A 48 5.202 8.174 8.365 1.00 14.14 C ATOM 761 CD LYS A 48 6.464 8.509 7.603 1.00 16.32 C ATOM 762 CE LYS A 48 7.631 8.763 8.602 1.00 20.04 C ATOM 763 NZ LYS A 48 8.809 9.198 7.896 1.00 23.92 N ATOM 0 H LYS A 48 3.296 5.544 9.040 1.00 10.47 H new ATOM 0 HA LYS A 48 2.351 8.256 8.615 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.451 6.514 7.199 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.967 8.085 6.591 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.800 9.089 8.800 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.456 7.512 9.193 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.721 7.691 6.929 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.303 9.392 6.985 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.337 9.518 9.331 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.848 7.851 9.158 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.579 9.364 8.575 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.097 8.465 7.217 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.602 10.080 7.386 1.00 23.92 H new ATOM 777 N GLN A 49 0.680 7.554 6.877 1.00 8.89 N ATOM 778 CA GLN A 49 -0.104 7.376 5.722 1.00 7.18 C ATOM 779 C GLN A 49 0.528 7.845 4.397 1.00 8.23 C ATOM 780 O GLN A 49 0.872 9.005 4.292 1.00 9.70 O ATOM 781 CB GLN A 49 -1.435 8.076 5.903 1.00 11.67 C ATOM 782 CG GLN A 49 -2.417 7.655 4.753 1.00 15.82 C ATOM 783 CD GLN A 49 -3.825 8.076 5.161 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.420 7.572 6.127 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.395 9.041 4.332 1.00 20.67 N ATOM 0 H GLN A 49 0.302 8.231 7.540 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.211 6.296 5.625 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.863 7.819 6.872 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.292 9.157 5.895 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.133 8.132 3.815 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.373 6.578 4.589 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.861 9.422 3.551 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.346 9.366 4.506 1.00 20.67 H new ATOM 794 N LEU A 50 0.707 6.921 3.405 1.00 6.51 N ATOM 795 CA LEU A 50 1.540 7.134 2.263 1.00 7.41 C ATOM 796 C LEU A 50 0.729 7.779 1.170 1.00 8.27 C ATOM 797 O LEU A 50 -0.449 7.573 0.990 1.00 8.34 O ATOM 798 CB LEU A 50 2.230 5.761 1.869 1.00 7.13 C ATOM 799 CG LEU A 50 2.816 4.925 3.067 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.274 3.555 2.598 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.970 5.686 3.788 1.00 9.11 C ATOM 0 H LEU A 50 0.254 6.007 3.411 1.00 6.51 H new ATOM 0 HA LEU A 50 2.354 7.829 2.471 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.500 5.146 1.343 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.037 5.969 1.166 1.00 7.13 H new ATOM 0 HG LEU A 50 2.015 4.785 3.793 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.675 2.996 3.444 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.428 3.014 2.174 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.048 3.670 1.839 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.349 5.078 4.609 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.775 5.882 3.080 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.594 6.631 4.180 1.00 9.11 H new ATOM 813 N GLU A 51 1.353 8.698 0.361 1.00 9.43 N ATOM 814 CA GLU A 51 0.680 9.432 -0.722 1.00 11.90 C ATOM 815 C GLU A 51 1.007 8.974 -2.046 1.00 11.49 C ATOM 816 O GLU A 51 2.062 8.415 -2.235 1.00 9.88 O ATOM 817 CB GLU A 51 1.130 10.893 -0.661 1.00 16.56 C ATOM 818 CG GLU A 51 0.611 11.710 0.526 1.00 26.06 C ATOM 819 CD GLU A 51 -0.918 11.672 0.623 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.571 11.873 -0.430 1.00 32.13 O ATOM 821 OE2 GLU A 51 -1.433 11.243 1.682 1.00 33.44 O ATOM 0 H GLU A 51 2.340 8.937 0.458 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.388 9.282 -0.565 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.220 10.916 -0.643 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.816 11.387 -1.581 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.043 11.323 1.449 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.943 12.744 0.428 1.00 26.06 H new ATOM 828 N ASP A 52 0.056 9.054 -2.958 1.00 12.71 N ATOM 829 CA ASP A 52 -0.046 8.389 -4.223 1.00 16.56 C ATOM 830 C ASP A 52 1.093 8.611 -5.221 1.00 15.83 C ATOM 831 O ASP A 52 1.579 7.619 -5.715 1.00 17.21 O ATOM 832 CB ASP A 52 -1.390 8.866 -4.841 1.00 21.05 C ATOM 833 CG ASP A 52 -2.505 8.500 -3.963 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.730 9.119 -2.882 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.283 7.562 -4.384 1.00 25.82 O ATOM 0 H ASP A 52 -0.751 9.658 -2.802 1.00 12.71 H new ATOM 0 HA ASP A 52 0.012 7.318 -4.028 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.370 9.946 -4.985 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.528 8.415 -5.824 1.00 21.05 H new ATOM 840 N GLY A 53 1.609 9.849 -5.374 1.00 15.00 N ATOM 841 CA GLY A 53 2.573 10.273 -6.394 1.00 11.77 C ATOM 842 C GLY A 53 3.979 10.267 -5.912 1.00 11.10 C ATOM 843 O GLY A 53 4.676 11.256 -6.102 1.00 11.25 O ATOM 0 H GLY A 53 1.346 10.615 -4.753 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.490 9.615 -7.259 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.316 11.277 -6.732 1.00 11.77 H new ATOM 847 N ARG A 54 4.410 9.217 -5.323 1.00 8.53 N ATOM 848 CA ARG A 54 5.766 9.093 -4.790 1.00 9.05 C ATOM 849 C ARG A 54 6.163 7.633 -4.676 1.00 8.96 C ATOM 850 O ARG A 54 5.287 6.739 -4.645 1.00 11.60 O ATOM 851 CB ARG A 54 5.905 9.631 -3.281 1.00 7.97 C ATOM 852 CG ARG A 54 5.182 10.932 -2.899 1.00 9.62 C ATOM 853 CD ARG A 54 5.636 11.361 -1.472 1.00 12.20 C ATOM 854 NE ARG A 54 4.683 12.400 -1.004 1.00 18.23 N ATOM 855 CZ ARG A 54 4.833 13.024 0.155 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.811 12.545 0.968 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.905 13.925 0.463 1.00 23.38 N ATOM 0 H ARG A 54 3.838 8.385 -5.181 1.00 8.53 H new ATOM 0 HA ARG A 54 6.382 9.670 -5.480 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.549 8.845 -2.614 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.966 9.768 -3.074 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.412 11.717 -3.620 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.102 10.784 -2.923 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.637 10.507 -0.795 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.653 11.753 -1.493 1.00 12.20 H new ATOM 0 HE ARG A 54 3.887 12.641 -1.594 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.377 11.750 0.671 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.979 12.980 1.875 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.133 14.102 -0.180 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.965 14.439 1.342 1.00 23.38 H new ATOM 871 N THR A 55 7.449 7.269 -4.708 1.00 9.05 N ATOM 872 CA THR A 55 7.884 5.852 -4.815 1.00 9.03 C ATOM 873 C THR A 55 8.059 5.212 -3.506 1.00 8.15 C ATOM 874 O THR A 55 8.165 5.889 -2.513 1.00 5.91 O ATOM 875 CB THR A 55 9.155 5.793 -5.598 1.00 11.15 C ATOM 876 OG1 THR A 55 10.156 6.639 -5.046 1.00 11.95 O ATOM 877 CG2 THR A 55 8.940 6.223 -7.078 1.00 11.71 C ATOM 0 H THR A 55 8.221 7.934 -4.662 1.00 9.05 H new ATOM 0 HA THR A 55 7.097 5.297 -5.326 1.00 9.03 H new ATOM 0 HB THR A 55 9.480 4.754 -5.554 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.011 6.160 -5.019 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.887 6.167 -7.614 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.216 5.558 -7.549 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.566 7.246 -7.109 1.00 11.71 H new ATOM 885 N LEU A 56 8.174 3.903 -3.442 1.00 6.91 N ATOM 886 CA LEU A 56 8.689 3.182 -2.315 1.00 8.29 C ATOM 887 C LEU A 56 10.096 3.619 -1.885 1.00 8.05 C ATOM 888 O LEU A 56 10.459 3.800 -0.735 1.00 10.17 O ATOM 889 CB LEU A 56 8.672 1.695 -2.695 1.00 6.60 C ATOM 890 CG LEU A 56 7.281 1.013 -2.919 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.510 -0.381 -3.626 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.339 0.731 -1.695 1.00 8.64 C ATOM 0 H LEU A 56 7.897 3.293 -4.211 1.00 6.91 H new ATOM 0 HA LEU A 56 8.061 3.390 -1.449 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.254 1.577 -3.609 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.193 1.144 -1.912 1.00 6.60 H new ATOM 0 HG LEU A 56 6.755 1.773 -3.496 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.549 -0.869 -3.789 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.005 -0.226 -4.585 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.134 -1.012 -2.993 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.422 0.255 -2.043 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.845 0.071 -0.991 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.095 1.671 -1.200 1.00 8.64 H new ATOM 904 N SER A 57 10.952 3.900 -2.884 1.00 8.92 N ATOM 905 CA SER A 57 12.307 4.459 -2.785 1.00 9.00 C ATOM 906 C SER A 57 12.306 5.818 -2.112 1.00 9.44 C ATOM 907 O SER A 57 13.219 6.031 -1.282 1.00 10.91 O ATOM 908 CB SER A 57 13.113 4.484 -4.163 1.00 10.32 C ATOM 909 OG SER A 57 12.485 5.308 -5.183 1.00 13.59 O ATOM 0 H SER A 57 10.692 3.728 -3.855 1.00 8.92 H new ATOM 0 HA SER A 57 12.854 3.764 -2.148 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.122 4.853 -3.979 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.209 3.465 -4.538 1.00 10.32 H new ATOM 0 HG SER A 57 13.025 5.284 -6.001 1.00 13.59 H new ATOM 915 N ASP A 58 11.324 6.764 -2.399 1.00 9.11 N ATOM 916 CA ASP A 58 11.118 8.034 -1.699 1.00 7.91 C ATOM 917 C ASP A 58 10.674 7.897 -0.258 1.00 9.12 C ATOM 918 O ASP A 58 10.986 8.745 0.618 1.00 8.61 O ATOM 919 CB ASP A 58 10.110 8.746 -2.522 1.00 8.41 C ATOM 920 CG ASP A 58 9.946 10.188 -2.042 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.960 10.950 -2.201 1.00 10.05 O ATOM 922 OD2 ASP A 58 8.850 10.538 -1.546 1.00 11.70 O ATOM 0 H ASP A 58 10.652 6.625 -3.153 1.00 9.11 H new ATOM 0 HA ASP A 58 12.060 8.575 -1.607 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.415 8.738 -3.568 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.153 8.227 -2.465 1.00 8.41 H new ATOM 927 N TYR A 59 9.947 6.832 0.067 1.00 7.97 N ATOM 928 CA TYR A 59 9.410 6.555 1.368 1.00 8.45 C ATOM 929 C TYR A 59 10.323 5.720 2.262 1.00 10.98 C ATOM 930 O TYR A 59 9.961 5.472 3.399 1.00 12.95 O ATOM 931 CB TYR A 59 7.968 5.918 1.323 1.00 7.94 C ATOM 932 CG TYR A 59 6.879 6.957 1.350 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.644 7.734 2.537 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.087 7.131 0.213 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.621 8.661 2.556 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.977 8.000 0.300 1.00 6.52 C ATOM 937 CZ TYR A 59 4.772 8.771 1.452 1.00 6.76 C ATOM 938 OH TYR A 59 3.711 9.708 1.424 1.00 7.63 O ATOM 0 H TYR A 59 9.712 6.110 -0.615 1.00 7.97 H new ATOM 0 HA TYR A 59 9.334 7.542 1.824 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.868 5.315 0.420 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.845 5.245 2.171 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.265 7.593 3.409 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.317 6.615 -0.708 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.478 9.296 3.418 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.283 8.071 -0.525 1.00 6.52 H new ATOM 0 HH TYR A 59 3.839 10.325 0.673 1.00 7.63 H new ATOM 948 N ASN A 60 11.516 5.327 1.804 1.00 12.38 N ATOM 949 CA ASN A 60 12.485 4.495 2.486 1.00 13.94 C ATOM 950 C ASN A 60 11.914 3.163 2.913 1.00 14.16 C ATOM 951 O ASN A 60 11.985 2.771 4.081 1.00 14.26 O ATOM 952 CB ASN A 60 13.120 5.182 3.698 1.00 19.23 C ATOM 953 CG ASN A 60 13.662 6.581 3.354 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.135 6.806 2.242 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.537 7.555 4.265 1.00 24.09 N ATOM 0 H ASN A 60 11.843 5.608 0.880 1.00 12.38 H new ATOM 0 HA ASN A 60 13.264 4.321 1.743 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.381 5.266 4.495 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.932 4.563 4.080 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.837 8.504 4.041 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.142 7.348 5.182 1.00 24.09 H new ATOM 962 N ILE A 61 11.167 2.367 2.013 1.00 11.08 N ATOM 963 CA ILE A 61 10.378 1.185 2.304 1.00 11.78 C ATOM 964 C ILE A 61 11.181 0.163 1.465 1.00 13.74 C ATOM 965 O ILE A 61 11.064 0.085 0.216 1.00 14.60 O ATOM 966 CB ILE A 61 8.948 1.151 1.768 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.055 2.336 2.429 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.301 -0.280 1.991 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.823 2.611 1.537 1.00 11.42 C ATOM 0 H ILE A 61 11.136 2.597 1.020 1.00 11.08 H new ATOM 0 HA ILE A 61 10.253 1.055 3.379 1.00 11.78 H new ATOM 0 HB ILE A 61 8.974 1.331 0.693 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.735 2.049 3.431 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.652 3.242 2.532 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.283 -0.283 1.602 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.892 -1.032 1.468 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.284 -0.509 3.056 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.223 3.406 1.980 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.153 2.916 0.544 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.222 1.705 1.457 1.00 11.42 H new ATOM 981 N GLN A 62 11.954 -0.677 2.173 1.00 13.97 N ATOM 982 CA GLN A 62 12.628 -1.859 1.657 1.00 15.52 C ATOM 983 C GLN A 62 11.897 -3.188 1.862 1.00 13.94 C ATOM 984 O GLN A 62 10.871 -3.237 2.489 1.00 12.15 O ATOM 985 CB GLN A 62 14.026 -1.943 2.252 1.00 19.53 C ATOM 986 CG GLN A 62 14.956 -0.731 1.857 1.00 26.38 C ATOM 987 CD GLN A 62 16.253 -0.864 2.637 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.217 -1.563 2.304 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.370 0.032 3.674 1.00 32.71 N ATOM 0 H GLN A 62 12.128 -0.535 3.168 1.00 13.97 H new ATOM 0 HA GLN A 62 12.655 -1.722 0.576 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.947 -1.990 3.338 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.495 -2.871 1.926 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.153 -0.735 0.785 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.467 0.216 2.088 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.571 0.606 3.944 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.255 0.122 4.173 1.00 32.71 H new ATOM 998 N LYS A 63 12.423 -4.248 1.297 1.00 11.73 N ATOM 999 CA LYS A 63 11.953 -5.635 1.355 1.00 11.97 C ATOM 1000 C LYS A 63 11.671 -6.174 2.778 1.00 10.41 C ATOM 1001 O LYS A 63 12.300 -5.925 3.784 1.00 9.59 O ATOM 1002 CB LYS A 63 13.068 -6.506 0.646 1.00 13.73 C ATOM 1003 CG LYS A 63 14.467 -6.488 1.288 1.00 16.98 C ATOM 1004 CD LYS A 63 15.579 -7.154 0.494 1.00 20.19 C ATOM 1005 CE LYS A 63 15.251 -8.622 0.163 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.233 -9.136 -0.831 1.00 25.97 N ATOM 0 H LYS A 63 13.268 -4.168 0.731 1.00 11.73 H new ATOM 0 HA LYS A 63 10.984 -5.690 0.859 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.722 -7.539 0.611 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.162 -6.166 -0.385 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.748 -5.450 1.467 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.403 -6.974 2.262 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.745 -6.602 -0.431 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.508 -7.109 1.063 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.284 -9.227 1.069 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.239 -8.699 -0.235 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.013 -10.127 -1.056 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.181 -8.565 -1.698 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.192 -9.076 -0.434 1.00 25.97 H new ATOM 1020 N GLU A 64 10.657 -7.046 2.793 1.00 10.04 N ATOM 1021 CA GLU A 64 10.117 -7.703 3.934 1.00 10.94 C ATOM 1022 C GLU A 64 9.570 -6.778 4.969 1.00 9.74 C ATOM 1023 O GLU A 64 9.746 -6.915 6.191 1.00 9.42 O ATOM 1024 CB GLU A 64 11.073 -8.769 4.654 1.00 18.31 C ATOM 1025 CG GLU A 64 11.378 -9.979 3.735 1.00 24.16 C ATOM 1026 CD GLU A 64 12.362 -10.998 4.280 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.048 -11.542 5.361 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.422 -11.251 3.681 1.00 32.61 O ATOM 0 H GLU A 64 10.175 -7.313 1.935 1.00 10.04 H new ATOM 0 HA GLU A 64 9.300 -8.261 3.477 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.007 -8.285 4.940 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.601 -9.119 5.572 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.440 -10.490 3.517 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.763 -9.602 2.788 1.00 24.16 H new ATOM 1035 N SER A 65 8.826 -5.808 4.530 1.00 6.85 N ATOM 1036 CA SER A 65 8.184 -4.736 5.264 1.00 6.90 C ATOM 1037 C SER A 65 6.724 -4.809 5.280 1.00 4.72 C ATOM 1038 O SER A 65 6.100 -5.216 4.295 1.00 3.91 O ATOM 1039 CB SER A 65 8.378 -3.407 4.604 1.00 7.28 C ATOM 1040 OG SER A 65 9.755 -3.055 4.825 1.00 10.56 O ATOM 0 H SER A 65 8.625 -5.732 3.533 1.00 6.85 H new ATOM 0 HA SER A 65 8.633 -4.840 6.252 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.155 -3.464 3.538 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.710 -2.658 5.030 1.00 7.28 H new ATOM 0 HG SER A 65 10.259 -3.165 3.992 1.00 10.56 H new ATOM 1046 N THR A 66 6.119 -4.482 6.387 1.00 4.48 N ATOM 1047 CA THR A 66 4.692 -4.712 6.747 1.00 3.80 C ATOM 1048 C THR A 66 3.880 -3.477 6.859 1.00 4.60 C ATOM 1049 O THR A 66 4.074 -2.647 7.736 1.00 5.33 O ATOM 1050 CB THR A 66 4.434 -5.554 7.967 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.094 -6.834 7.811 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.918 -5.786 8.216 1.00 3.40 C ATOM 0 H THR A 66 6.623 -4.010 7.138 1.00 4.48 H new ATOM 0 HA THR A 66 4.371 -5.288 5.879 1.00 3.80 H new ATOM 0 HB THR A 66 4.830 -5.016 8.828 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.930 -7.385 8.604 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.785 -6.399 9.107 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.422 -4.826 8.358 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.482 -6.296 7.357 1.00 3.40 H new ATOM 1060 N LEU A 67 3.009 -3.302 5.875 1.00 4.17 N ATOM 1061 CA LEU A 67 2.118 -2.160 5.670 1.00 3.85 C ATOM 1062 C LEU A 67 0.656 -2.460 5.922 1.00 3.80 C ATOM 1063 O LEU A 67 0.153 -3.591 5.870 1.00 5.54 O ATOM 1064 CB LEU A 67 2.394 -1.602 4.232 1.00 7.18 C ATOM 1065 CG LEU A 67 3.925 -1.363 3.862 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.592 -2.513 3.104 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.122 -0.238 2.895 1.00 11.66 C ATOM 0 H LEU A 67 2.896 -4.004 5.144 1.00 4.17 H new ATOM 0 HA LEU A 67 2.339 -1.398 6.418 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.968 -2.295 3.506 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.861 -0.657 4.121 1.00 7.18 H new ATOM 0 HG LEU A 67 4.353 -1.200 4.851 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.631 -2.258 2.897 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.554 -3.418 3.710 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.066 -2.683 2.165 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.185 -0.124 2.681 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.587 -0.455 1.970 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.737 0.685 3.328 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.092 -1.391 6.394 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.425 -1.592 7.034 1.00 4.17 C ATOM 1081 C HIS A 68 -2.399 -1.010 6.044 1.00 5.32 C ATOM 1082 O HIS A 68 -2.397 0.187 5.794 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.606 -0.839 8.374 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.613 -1.334 9.274 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.620 -0.817 9.400 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.623 -2.448 10.072 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.345 -1.573 10.216 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.613 -2.605 10.708 1.00 16.30 N ATOM 0 H HIS A 68 0.207 -0.417 6.339 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.561 -2.649 7.265 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.493 0.236 8.230 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.606 -1.004 8.776 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.467 -3.111 10.193 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.382 -1.391 10.457 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.895 -3.320 11.378 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.348 -1.826 5.600 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.339 -1.381 4.666 1.00 3.97 C ATOM 1098 C LEU A 69 -5.524 -0.926 5.392 1.00 5.07 C ATOM 1099 O LEU A 69 -6.071 -1.596 6.239 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.737 -2.511 3.696 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.544 -2.107 2.429 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.721 -1.314 1.409 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.125 -3.398 1.786 1.00 9.96 C ATOM 0 H LEU A 69 -3.440 -2.802 5.882 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.917 -0.561 4.085 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.826 -3.014 3.371 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.324 -3.242 4.252 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.344 -1.436 2.740 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.346 -1.066 0.551 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.356 -0.396 1.870 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.874 -1.915 1.079 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.695 -3.136 0.895 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.309 -4.066 1.511 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.779 -3.898 2.501 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.003 0.256 4.970 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.270 0.855 5.464 1.00 6.26 C ATOM 1117 C VAL A 70 -8.060 1.434 4.306 1.00 9.22 C ATOM 1118 O VAL A 70 -7.549 1.465 3.183 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.019 1.929 6.589 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.072 1.372 7.737 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.510 3.290 6.000 1.00 8.54 C ATOM 0 H VAL A 70 -5.527 0.830 4.275 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.860 0.062 5.923 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.983 2.137 7.054 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.924 2.143 8.493 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.533 0.497 8.196 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.109 1.093 7.310 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.350 4.000 6.811 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.572 3.129 5.469 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.254 3.689 5.310 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.416 1.701 4.496 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.188 2.358 3.482 1.00 16.06 C ATOM 1133 C LEU A 71 -10.472 3.812 3.744 1.00 18.09 C ATOM 1134 O LEU A 71 -9.997 4.384 4.751 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.446 1.522 3.120 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.114 0.122 2.521 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.428 -0.660 2.292 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.307 0.160 1.274 1.00 19.57 C ATOM 0 H LEU A 71 -9.937 1.457 5.338 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.557 2.399 2.594 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.054 1.390 4.015 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.049 2.080 2.404 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.484 -0.385 3.252 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.200 -1.640 1.873 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.948 -0.784 3.242 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.064 -0.108 1.599 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.124 -0.857 0.928 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.849 0.712 0.506 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.355 0.653 1.471 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.078 4.516 2.787 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.206 5.945 2.841 1.00 25.83 C ATOM 1152 C ARG A 72 -12.676 6.372 3.164 1.00 27.74 C ATOM 1153 O ARG A 72 -13.573 5.946 2.466 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.795 6.645 1.494 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.948 8.206 1.444 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.129 8.866 0.287 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.265 10.386 0.408 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.242 11.194 0.194 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.231 10.859 -0.571 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.261 12.437 0.617 1.00 35.02 N ATOM 0 H ARG A 72 -11.491 4.095 1.955 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.528 6.264 3.632 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.755 6.397 1.284 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.394 6.217 0.690 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.002 8.458 1.325 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.625 8.627 2.396 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.081 8.573 0.348 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.499 8.528 -0.681 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.169 10.785 0.660 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.216 9.946 -1.026 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.460 11.511 -0.711 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.074 12.792 1.120 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.462 13.047 0.443 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.885 7.259 4.132 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.081 7.999 4.285 1.00 30.76 C ATOM 1176 C LEU A 73 -13.781 9.535 4.033 1.00 32.18 C ATOM 1177 O LEU A 73 -12.844 10.157 4.535 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.715 7.866 5.657 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.036 6.411 5.976 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.158 6.065 7.454 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.173 5.897 5.180 1.00 29.11 C ATOM 0 H LEU A 73 -12.186 7.472 4.844 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.784 7.591 3.559 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.040 8.267 6.413 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.628 8.460 5.698 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.140 5.876 5.662 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.388 5.005 7.562 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.217 6.285 7.958 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -15.957 6.657 7.901 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.361 4.857 5.445 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.062 6.492 5.390 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.934 5.964 4.119 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.575 10.151 3.116 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.386 11.478 2.598 1.00 35.33 C ATOM 1195 C ARG A 74 -14.526 12.615 3.568 1.00 36.22 C ATOM 1196 O ARG A 74 -15.293 12.564 4.510 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.356 11.753 1.400 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.104 10.760 0.208 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.214 11.249 -0.937 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.990 10.094 -1.877 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.987 10.040 -2.814 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.367 11.215 -3.185 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -12.710 8.907 -3.331 1.00 41.93 N ATOM 0 H ARG A 74 -15.394 9.691 2.718 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.338 11.466 2.298 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.388 11.660 1.739 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.225 12.778 1.054 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.661 9.851 0.614 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.072 10.484 -0.211 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.688 12.080 -1.460 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.263 11.616 -0.551 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.625 9.299 -1.814 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.656 12.099 -2.765 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -11.620 11.200 -3.879 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.228 8.076 -3.046 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -11.971 8.832 -4.030 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.696 13.636 3.340 1.00 36.31 N ATOM 1218 CA GLY A 75 -13.610 14.766 4.303 1.00 36.07 C ATOM 1219 C GLY A 75 -12.731 14.518 5.480 1.00 36.16 C ATOM 1220 O GLY A 75 -12.698 15.235 6.478 1.00 36.26 O ATOM 0 H GLY A 75 -13.086 13.716 2.526 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -13.247 15.648 3.775 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -14.614 14.999 4.659 1.00 36.07 H new ATOM 1224 N GLY A 76 -11.874 13.463 5.315 1.00 36.05 N ATOM 1225 CA GLY A 76 -10.729 13.136 6.163 1.00 36.19 C ATOM 1226 C GLY A 76 -9.889 12.167 5.439 1.00 36.20 C ATOM 1227 O GLY A 76 -9.154 12.505 4.468 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.896 10.973 5.789 1.00 0.00 O ATOM 0 H GLY A 76 -11.986 12.801 4.547 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -10.159 14.035 6.397 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.065 12.716 7.111 1.00 36.19 H new TER 1232 GLY A 76