USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 124:sc= 0.541 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.49 USER MOD Set 2.1: A 7 THR OG1 : rot 121:sc= 0.81 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.2 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 159:sc= 0.79 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 158:sc= 0.696 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.0128 (180deg=-0.0568) USER MOD Single : A 1 MET N :NH3+ -165:sc= 1.18 (180deg=1.06) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 11 LYS NZ :NH3+ -149:sc= -0.167 (180deg=-1.42!) USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.0624 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.00668 USER MOD Single : A 25 ASN : amide:sc= -0.0492 K(o=-0.049,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 2.28 (180deg=2.21) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.309 K(o=-0.31,f=-3.1!) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0444) USER MOD Single : A 40 GLN : amide:sc= -0.545 K(o=-0.55,f=-2.7!) USER MOD Single : A 41 GLN : amide:sc= -0.193 K(o=-0.19,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0635 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.13) USER MOD Single : A 65 SER OG : rot 89:sc= 0.85 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.482 1.183 -6.097 1.00 9.67 N ATOM 2 CA MET A 1 -12.527 1.896 -4.801 1.00 10.38 C ATOM 3 C MET A 1 -11.375 2.840 -4.756 1.00 9.62 C ATOM 4 O MET A 1 -10.325 2.640 -5.364 1.00 9.62 O ATOM 5 CB MET A 1 -12.631 0.966 -3.581 1.00 13.77 C ATOM 6 CG MET A 1 -11.386 0.138 -3.258 1.00 16.29 C ATOM 7 SD MET A 1 -11.674 -1.086 -1.944 1.00 17.17 S ATOM 8 CE MET A 1 -10.057 -1.879 -2.176 1.00 16.11 C ATOM 0 H1 MET A 1 -13.394 0.714 -6.267 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.295 1.863 -6.861 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.725 0.470 -6.075 1.00 9.67 H new ATOM 0 HA MET A 1 -13.453 2.466 -4.735 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.877 1.571 -2.708 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.465 0.283 -3.740 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.053 -0.376 -4.160 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.580 0.806 -2.955 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.014 -2.796 -1.588 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.917 -2.117 -3.230 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.269 -1.201 -1.849 1.00 16.11 H new ATOM 20 N GLN A 2 -11.549 3.982 -4.067 1.00 9.27 N ATOM 21 CA GLN A 2 -10.410 4.728 -3.630 1.00 9.07 C ATOM 22 C GLN A 2 -9.828 4.359 -2.309 1.00 8.72 C ATOM 23 O GLN A 2 -10.614 4.230 -1.371 1.00 8.22 O ATOM 24 CB GLN A 2 -10.876 6.188 -3.497 1.00 14.46 C ATOM 25 CG GLN A 2 -11.340 6.792 -4.824 1.00 17.01 C ATOM 26 CD GLN A 2 -12.156 8.041 -4.520 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.783 8.729 -3.572 1.00 21.89 O ATOM 28 NE2 GLN A 2 -13.267 8.402 -5.217 1.00 19.49 N ATOM 0 H GLN A 2 -12.454 4.381 -3.817 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.630 4.530 -4.365 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.692 6.239 -2.776 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.059 6.789 -3.097 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.482 7.041 -5.449 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.940 6.072 -5.380 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -13.581 7.835 -6.005 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -13.786 9.239 -4.952 1.00 19.49 H new ATOM 37 N ILE A 3 -8.494 4.254 -2.175 1.00 5.87 N ATOM 38 CA ILE A 3 -7.740 3.827 -1.038 1.00 5.07 C ATOM 39 C ILE A 3 -6.764 4.920 -0.768 1.00 4.01 C ATOM 40 O ILE A 3 -6.262 5.490 -1.736 1.00 4.61 O ATOM 41 CB ILE A 3 -6.950 2.552 -1.081 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.732 2.455 -2.015 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.946 1.382 -1.013 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.781 1.322 -1.632 1.00 10.83 C ATOM 0 H ILE A 3 -7.879 4.496 -2.952 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.502 3.614 -0.289 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.317 2.509 -0.195 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.076 2.304 -3.038 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.190 3.400 -1.997 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.401 0.438 -1.042 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.516 1.443 -0.086 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.627 1.434 -1.862 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.941 1.302 -2.326 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.412 1.484 -0.619 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.311 0.371 -1.677 1.00 10.83 H new ATOM 56 N PHE A 4 -6.451 5.259 0.496 1.00 4.55 N ATOM 57 CA PHE A 4 -5.475 6.227 0.891 1.00 4.68 C ATOM 58 C PHE A 4 -4.271 5.467 1.330 1.00 5.30 C ATOM 59 O PHE A 4 -4.316 4.363 1.870 1.00 5.58 O ATOM 60 CB PHE A 4 -6.043 7.053 2.057 1.00 4.83 C ATOM 61 CG PHE A 4 -7.266 7.767 1.597 1.00 7.97 C ATOM 62 CD1 PHE A 4 -7.238 8.707 0.594 1.00 6.69 C ATOM 63 CD2 PHE A 4 -8.457 7.386 2.169 1.00 8.34 C ATOM 64 CE1 PHE A 4 -8.395 9.376 0.273 1.00 9.10 C ATOM 65 CE2 PHE A 4 -9.607 8.072 1.856 1.00 10.61 C ATOM 66 CZ PHE A 4 -9.590 8.996 0.838 1.00 8.90 C ATOM 0 H PHE A 4 -6.912 4.826 1.296 1.00 4.55 H new ATOM 0 HA PHE A 4 -5.220 6.907 0.078 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -6.281 6.402 2.898 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -5.300 7.768 2.408 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.320 8.917 0.066 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -8.489 6.555 2.858 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -8.366 10.201 -0.424 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -10.518 7.886 2.406 1.00 10.61 H new ATOM 0 HZ PHE A 4 -10.516 9.424 0.482 1.00 8.90 H new ATOM 76 N VAL A 5 -3.113 6.062 0.991 1.00 4.44 N ATOM 77 CA VAL A 5 -1.844 5.753 1.573 1.00 3.87 C ATOM 78 C VAL A 5 -1.207 6.978 2.133 1.00 4.93 C ATOM 79 O VAL A 5 -1.213 7.991 1.435 1.00 6.84 O ATOM 80 CB VAL A 5 -0.924 5.002 0.657 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.393 4.540 1.303 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.686 3.861 -0.038 1.00 9.13 C ATOM 0 H VAL A 5 -3.059 6.791 0.279 1.00 4.44 H new ATOM 0 HA VAL A 5 -2.040 5.065 2.395 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.593 5.711 -0.101 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.993 4.007 0.565 1.00 5.28 H new ATOM 0 HG12 VAL A 5 0.947 5.408 1.661 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.175 3.878 2.141 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.009 3.322 -0.701 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.080 3.176 0.713 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.510 4.275 -0.619 1.00 9.13 H new ATOM 92 N LYS A 6 -0.705 6.984 3.381 1.00 6.04 N ATOM 93 CA LYS A 6 0.129 8.022 3.901 1.00 6.12 C ATOM 94 C LYS A 6 1.571 7.667 3.782 1.00 6.57 C ATOM 95 O LYS A 6 1.937 6.549 4.139 1.00 5.76 O ATOM 96 CB LYS A 6 -0.116 8.455 5.356 1.00 7.45 C ATOM 97 CG LYS A 6 -1.502 9.099 5.423 1.00 11.12 C ATOM 98 CD LYS A 6 -1.764 9.899 6.700 1.00 14.54 C ATOM 99 CE LYS A 6 -3.199 10.387 6.909 1.00 18.84 C ATOM 100 NZ LYS A 6 -3.391 11.624 6.119 1.00 20.55 N ATOM 0 H LYS A 6 -0.887 6.238 4.053 1.00 6.04 H new ATOM 0 HA LYS A 6 -0.151 8.870 3.277 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.061 7.596 6.025 1.00 7.45 H new ATOM 0 HB3 LYS A 6 0.649 9.161 5.679 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.625 9.758 4.564 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.257 8.318 5.336 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.484 9.282 7.554 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.103 10.766 6.703 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.909 9.622 6.595 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.384 10.579 7.966 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -4.406 11.776 5.953 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.001 12.434 6.642 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.901 11.533 5.206 1.00 20.55 H new ATOM 114 N THR A 7 2.383 8.542 3.160 1.00 7.41 N ATOM 115 CA THR A 7 3.747 8.394 2.757 1.00 7.48 C ATOM 116 C THR A 7 4.741 8.802 3.790 1.00 8.75 C ATOM 117 O THR A 7 4.480 9.237 4.910 1.00 8.58 O ATOM 118 CB THR A 7 4.072 8.956 1.405 1.00 9.61 C ATOM 119 OG1 THR A 7 3.885 10.363 1.379 1.00 11.78 O ATOM 120 CG2 THR A 7 3.017 8.475 0.394 1.00 9.17 C ATOM 0 H THR A 7 2.034 9.468 2.911 1.00 7.41 H new ATOM 0 HA THR A 7 3.848 7.314 2.652 1.00 7.48 H new ATOM 0 HB THR A 7 5.096 8.655 1.181 1.00 9.61 H new ATOM 0 HG1 THR A 7 4.730 10.801 1.146 1.00 11.78 H new ATOM 0 HG21 THR A 7 3.247 8.880 -0.592 1.00 9.17 H new ATOM 0 HG22 THR A 7 3.025 7.386 0.350 1.00 9.17 H new ATOM 0 HG23 THR A 7 2.031 8.818 0.706 1.00 9.17 H new ATOM 128 N LEU A 8 6.025 8.592 3.449 1.00 9.84 N ATOM 129 CA LEU A 8 7.085 8.900 4.359 1.00 14.15 C ATOM 130 C LEU A 8 7.412 10.354 4.387 1.00 17.37 C ATOM 131 O LEU A 8 7.346 10.955 5.458 1.00 17.01 O ATOM 132 CB LEU A 8 8.452 8.280 4.024 1.00 16.63 C ATOM 133 CG LEU A 8 9.651 8.449 4.972 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.388 7.808 6.345 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.005 8.073 4.347 1.00 19.31 C ATOM 0 H LEU A 8 6.328 8.213 2.552 1.00 9.84 H new ATOM 0 HA LEU A 8 6.676 8.503 5.288 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.294 7.209 3.896 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.753 8.676 3.054 1.00 16.63 H new ATOM 0 HG LEU A 8 9.749 9.520 5.153 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.259 7.949 6.985 1.00 18.59 H new ATOM 0 HD12 LEU A 8 8.519 8.278 6.806 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.200 6.742 6.219 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.798 8.220 5.080 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.986 7.028 4.039 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.193 8.704 3.478 1.00 19.31 H new ATOM 147 N THR A 9 7.706 10.902 3.195 1.00 18.33 N ATOM 148 CA THR A 9 7.702 12.285 2.831 1.00 19.24 C ATOM 149 C THR A 9 6.634 13.160 3.391 1.00 19.48 C ATOM 150 O THR A 9 6.835 13.914 4.342 1.00 23.14 O ATOM 151 CB THR A 9 7.704 12.478 1.344 1.00 18.97 C ATOM 152 OG1 THR A 9 6.673 11.729 0.717 1.00 20.24 O ATOM 153 CG2 THR A 9 9.039 12.000 0.749 1.00 19.70 C ATOM 0 H THR A 9 7.974 10.313 2.406 1.00 18.33 H new ATOM 0 HA THR A 9 8.630 12.612 3.301 1.00 19.24 H new ATOM 0 HB THR A 9 7.549 13.542 1.164 1.00 18.97 H new ATOM 0 HG1 THR A 9 6.702 11.879 -0.251 1.00 20.24 H new ATOM 0 HG21 THR A 9 9.029 12.145 -0.331 1.00 19.70 H new ATOM 0 HG22 THR A 9 9.857 12.573 1.184 1.00 19.70 H new ATOM 0 HG23 THR A 9 9.179 10.942 0.972 1.00 19.70 H new ATOM 161 N GLY A 10 5.369 13.051 2.949 1.00 19.43 N ATOM 162 CA GLY A 10 4.305 13.693 3.656 1.00 18.74 C ATOM 163 C GLY A 10 3.130 13.993 2.790 1.00 17.62 C ATOM 164 O GLY A 10 2.507 15.050 2.881 1.00 19.74 O ATOM 0 H GLY A 10 5.086 12.530 2.119 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.988 13.056 4.482 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.674 14.621 4.093 1.00 18.74 H new ATOM 168 N LYS A 11 2.755 12.976 1.994 1.00 13.56 N ATOM 169 CA LYS A 11 1.641 13.099 1.106 1.00 11.91 C ATOM 170 C LYS A 11 0.637 12.071 1.502 1.00 10.18 C ATOM 171 O LYS A 11 1.009 10.970 1.905 1.00 9.10 O ATOM 172 CB LYS A 11 1.970 12.851 -0.376 1.00 13.43 C ATOM 173 CG LYS A 11 2.668 13.999 -1.108 1.00 16.69 C ATOM 174 CD LYS A 11 2.777 14.011 -2.634 1.00 17.92 C ATOM 175 CE LYS A 11 1.465 14.020 -3.421 1.00 20.81 C ATOM 176 NZ LYS A 11 1.685 13.486 -4.783 1.00 21.93 N ATOM 0 H LYS A 11 3.222 12.070 1.965 1.00 13.56 H new ATOM 0 HA LYS A 11 1.290 14.128 1.190 1.00 11.91 H new ATOM 0 HB2 LYS A 11 2.602 11.965 -0.444 1.00 13.43 H new ATOM 0 HB3 LYS A 11 1.042 12.622 -0.901 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.160 14.919 -0.817 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.683 14.058 -0.715 1.00 16.69 H new ATOM 0 HD2 LYS A 11 3.354 14.888 -2.926 1.00 17.92 H new ATOM 0 HD3 LYS A 11 3.350 13.136 -2.940 1.00 17.92 H new ATOM 0 HE2 LYS A 11 0.717 13.420 -2.903 1.00 20.81 H new ATOM 0 HE3 LYS A 11 1.074 15.036 -3.479 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 1.026 13.943 -5.446 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 2.663 13.680 -5.078 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 1.520 12.459 -4.784 1.00 21.93 H new ATOM 190 N THR A 12 -0.661 12.354 1.296 1.00 9.63 N ATOM 191 CA THR A 12 -1.748 11.437 1.447 1.00 9.85 C ATOM 192 C THR A 12 -2.222 11.197 0.054 1.00 11.66 C ATOM 193 O THR A 12 -2.855 12.025 -0.598 1.00 12.33 O ATOM 194 CB THR A 12 -2.919 11.942 2.236 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.457 12.322 3.524 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.932 10.793 2.378 1.00 9.63 C ATOM 0 H THR A 12 -0.970 13.282 1.006 1.00 9.63 H new ATOM 0 HA THR A 12 -1.387 10.566 1.995 1.00 9.85 H new ATOM 0 HB THR A 12 -3.386 12.794 1.742 1.00 10.85 H new ATOM 0 HG1 THR A 12 -3.086 12.959 3.922 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.794 11.137 2.949 1.00 9.63 H new ATOM 0 HG22 THR A 12 -4.257 10.470 1.389 1.00 9.63 H new ATOM 0 HG23 THR A 12 -3.463 9.957 2.896 1.00 9.63 H new ATOM 204 N ILE A 13 -1.814 10.044 -0.506 1.00 10.42 N ATOM 205 CA ILE A 13 -2.143 9.743 -1.865 1.00 11.84 C ATOM 206 C ILE A 13 -3.374 8.911 -1.975 1.00 10.55 C ATOM 207 O ILE A 13 -3.640 7.888 -1.346 1.00 11.92 O ATOM 208 CB ILE A 13 -0.969 9.197 -2.622 1.00 14.86 C ATOM 209 CG1 ILE A 13 -0.557 7.785 -2.173 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.193 10.184 -2.417 1.00 17.08 C ATOM 211 CD1 ILE A 13 0.498 7.243 -3.137 1.00 16.46 C ATOM 0 H ILE A 13 -1.265 9.330 -0.027 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.390 10.684 -2.356 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.241 9.098 -3.673 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -0.160 7.814 -1.158 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.426 7.127 -2.157 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.073 9.826 -2.952 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.091 11.164 -2.799 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.421 10.261 -1.354 1.00 17.08 H new ATOM 0 HD11 ILE A 13 0.796 6.242 -2.825 1.00 16.46 H new ATOM 0 HD12 ILE A 13 0.083 7.201 -4.144 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.369 7.899 -3.130 1.00 16.46 H new ATOM 223 N THR A 14 -4.329 9.405 -2.783 1.00 9.39 N ATOM 224 CA THR A 14 -5.422 8.676 -3.347 1.00 9.63 C ATOM 225 C THR A 14 -5.120 7.756 -4.480 1.00 11.20 C ATOM 226 O THR A 14 -4.629 8.229 -5.503 1.00 11.63 O ATOM 227 CB THR A 14 -6.653 9.433 -3.748 1.00 10.38 C ATOM 228 OG1 THR A 14 -6.941 10.424 -2.773 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.915 8.560 -3.855 1.00 11.66 C ATOM 0 H THR A 14 -4.336 10.386 -3.062 1.00 9.39 H new ATOM 0 HA THR A 14 -5.631 8.107 -2.441 1.00 9.63 H new ATOM 0 HB THR A 14 -6.428 9.849 -4.730 1.00 10.38 H new ATOM 0 HG1 THR A 14 -7.188 9.991 -1.929 1.00 16.30 H new ATOM 0 HG21 THR A 14 -8.762 9.180 -4.149 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.757 7.782 -4.602 1.00 11.66 H new ATOM 0 HG23 THR A 14 -8.121 8.098 -2.889 1.00 11.66 H new ATOM 237 N LEU A 15 -5.238 6.416 -4.447 1.00 8.29 N ATOM 238 CA LEU A 15 -5.059 5.531 -5.556 1.00 9.03 C ATOM 239 C LEU A 15 -6.329 4.766 -5.700 1.00 8.59 C ATOM 240 O LEU A 15 -6.977 4.362 -4.736 1.00 7.79 O ATOM 241 CB LEU A 15 -3.948 4.497 -5.305 1.00 11.08 C ATOM 242 CG LEU A 15 -2.569 5.054 -4.916 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.736 4.042 -4.111 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.820 5.753 -6.064 1.00 15.88 C ATOM 0 H LEU A 15 -5.474 5.919 -3.588 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.793 6.121 -6.433 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.280 3.824 -4.514 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.831 3.896 -6.207 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.760 5.875 -4.225 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.771 4.483 -3.860 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.265 3.782 -3.194 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.580 3.143 -4.707 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.858 6.116 -5.703 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.659 5.046 -6.878 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.412 6.594 -6.426 1.00 15.88 H new ATOM 256 N GLU A 16 -6.617 4.405 -6.964 1.00 11.04 N ATOM 257 CA GLU A 16 -7.789 3.697 -7.377 1.00 11.50 C ATOM 258 C GLU A 16 -7.426 2.270 -7.609 1.00 10.13 C ATOM 259 O GLU A 16 -6.476 1.875 -8.283 1.00 9.83 O ATOM 260 CB GLU A 16 -8.420 4.434 -8.570 1.00 17.22 C ATOM 261 CG GLU A 16 -9.762 3.903 -9.079 1.00 23.33 C ATOM 262 CD GLU A 16 -10.442 4.841 -10.065 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.233 5.703 -9.596 1.00 28.90 O ATOM 264 OE2 GLU A 16 -10.301 4.775 -11.315 1.00 28.86 O ATOM 0 H GLU A 16 -5.994 4.621 -7.743 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.566 3.677 -6.612 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.552 5.480 -8.292 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.710 4.411 -9.397 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.605 2.936 -9.556 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -10.425 3.736 -8.230 1.00 23.33 H new ATOM 271 N VAL A 17 -8.160 1.362 -6.940 1.00 8.99 N ATOM 272 CA VAL A 17 -7.935 -0.048 -7.005 1.00 8.85 C ATOM 273 C VAL A 17 -9.263 -0.707 -6.856 1.00 8.04 C ATOM 274 O VAL A 17 -10.221 -0.067 -6.426 1.00 8.99 O ATOM 275 CB VAL A 17 -6.935 -0.544 -6.003 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.484 -0.163 -6.341 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.287 -0.038 -4.593 1.00 10.54 C ATOM 0 H VAL A 17 -8.938 1.620 -6.332 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.484 -0.300 -7.965 1.00 8.85 H new ATOM 0 HB VAL A 17 -6.993 -1.632 -6.037 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -4.817 -0.555 -5.573 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.213 -0.586 -7.308 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.393 0.922 -6.381 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.551 -0.408 -3.879 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.283 1.052 -4.586 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.277 -0.399 -4.313 1.00 10.54 H new ATOM 287 N GLU A 18 -9.388 -2.007 -7.179 1.00 7.29 N ATOM 288 CA GLU A 18 -10.480 -2.813 -6.729 1.00 7.08 C ATOM 289 C GLU A 18 -10.044 -3.681 -5.599 1.00 6.45 C ATOM 290 O GLU A 18 -8.880 -3.875 -5.251 1.00 5.28 O ATOM 291 CB GLU A 18 -10.851 -3.623 -7.983 1.00 10.28 C ATOM 292 CG GLU A 18 -11.529 -2.815 -9.092 1.00 12.65 C ATOM 293 CD GLU A 18 -12.844 -2.150 -8.711 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.771 -2.828 -8.193 1.00 18.17 O ATOM 295 OE2 GLU A 18 -12.980 -0.925 -8.975 1.00 14.33 O ATOM 0 H GLU A 18 -8.718 -2.507 -7.763 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.327 -2.246 -6.343 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -9.946 -4.078 -8.386 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.513 -4.437 -7.689 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -10.837 -2.044 -9.430 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.709 -3.476 -9.940 1.00 12.65 H new ATOM 302 N PRO A 19 -10.932 -4.357 -4.933 1.00 7.24 N ATOM 303 CA PRO A 19 -10.588 -5.418 -4.031 1.00 7.07 C ATOM 304 C PRO A 19 -9.792 -6.552 -4.579 1.00 6.65 C ATOM 305 O PRO A 19 -8.900 -7.042 -3.889 1.00 6.37 O ATOM 306 CB PRO A 19 -11.906 -5.801 -3.362 1.00 7.61 C ATOM 307 CG PRO A 19 -12.765 -4.527 -3.378 1.00 8.16 C ATOM 308 CD PRO A 19 -12.286 -3.884 -4.690 1.00 7.49 C ATOM 0 HA PRO A 19 -9.852 -5.066 -3.308 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.397 -6.612 -3.900 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.741 -6.149 -2.342 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.833 -4.747 -3.389 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -12.580 -3.891 -2.512 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -12.943 -4.159 -5.515 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.306 -2.797 -4.615 1.00 7.49 H new ATOM 316 N SER A 20 -10.107 -7.029 -5.796 1.00 6.80 N ATOM 317 CA SER A 20 -9.449 -8.049 -6.552 1.00 6.28 C ATOM 318 C SER A 20 -8.114 -7.674 -7.097 1.00 8.45 C ATOM 319 O SER A 20 -7.427 -8.522 -7.665 1.00 7.26 O ATOM 320 CB SER A 20 -10.347 -8.545 -7.697 1.00 8.57 C ATOM 321 OG SER A 20 -10.826 -7.449 -8.463 1.00 11.13 O ATOM 0 H SER A 20 -10.911 -6.658 -6.303 1.00 6.80 H new ATOM 0 HA SER A 20 -9.265 -8.845 -5.831 1.00 6.28 H new ATOM 0 HB2 SER A 20 -9.787 -9.227 -8.337 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.188 -9.107 -7.291 1.00 8.57 H new ATOM 0 HG SER A 20 -11.395 -7.781 -9.189 1.00 11.13 H new ATOM 327 N ASP A 21 -7.625 -6.431 -6.934 1.00 7.50 N ATOM 328 CA ASP A 21 -6.273 -6.039 -7.188 1.00 7.70 C ATOM 329 C ASP A 21 -5.344 -6.306 -6.054 1.00 7.08 C ATOM 330 O ASP A 21 -5.740 -6.473 -4.901 1.00 8.11 O ATOM 331 CB ASP A 21 -6.263 -4.527 -7.470 1.00 11.00 C ATOM 332 CG ASP A 21 -6.953 -4.202 -8.786 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.954 -5.066 -9.703 1.00 14.36 O ATOM 334 OD2 ASP A 21 -7.509 -3.076 -8.895 1.00 18.03 O ATOM 0 H ASP A 21 -8.205 -5.658 -6.607 1.00 7.50 H new ATOM 0 HA ASP A 21 -5.921 -6.631 -8.032 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -6.762 -4.001 -6.656 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.234 -4.168 -7.499 1.00 11.00 H new ATOM 339 N THR A 22 -4.032 -6.504 -6.277 1.00 5.37 N ATOM 340 CA THR A 22 -3.098 -6.916 -5.276 1.00 6.01 C ATOM 341 C THR A 22 -2.341 -5.822 -4.604 1.00 8.01 C ATOM 342 O THR A 22 -2.414 -4.636 -4.921 1.00 8.11 O ATOM 343 CB THR A 22 -2.058 -7.854 -5.814 1.00 8.92 C ATOM 344 OG1 THR A 22 -1.446 -7.389 -7.008 1.00 10.22 O ATOM 345 CG2 THR A 22 -2.804 -9.162 -6.123 1.00 9.65 C ATOM 0 H THR A 22 -3.605 -6.371 -7.194 1.00 5.37 H new ATOM 0 HA THR A 22 -3.755 -7.392 -4.547 1.00 6.01 H new ATOM 0 HB THR A 22 -1.257 -7.963 -5.082 1.00 8.92 H new ATOM 0 HG1 THR A 22 -0.898 -8.104 -7.395 1.00 10.22 H new ATOM 0 HG21 THR A 22 -2.103 -9.895 -6.521 1.00 9.65 H new ATOM 0 HG22 THR A 22 -3.254 -9.549 -5.209 1.00 9.65 H new ATOM 0 HG23 THR A 22 -3.585 -8.970 -6.859 1.00 9.65 H new ATOM 353 N ILE A 23 -1.509 -6.178 -3.609 1.00 8.32 N ATOM 354 CA ILE A 23 -0.598 -5.328 -2.907 1.00 9.92 C ATOM 355 C ILE A 23 0.450 -4.894 -3.874 1.00 10.01 C ATOM 356 O ILE A 23 0.754 -3.709 -3.997 1.00 8.71 O ATOM 357 CB ILE A 23 -0.030 -5.950 -1.666 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.153 -6.427 -0.730 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.938 -5.024 -0.910 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.201 -5.357 -0.428 1.00 12.30 C ATOM 0 H ILE A 23 -1.472 -7.139 -3.269 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.136 -4.459 -2.529 1.00 9.92 H new ATOM 0 HB ILE A 23 0.553 -6.809 -1.998 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -1.646 -7.289 -1.180 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -0.712 -6.765 0.208 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.312 -5.535 -0.023 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.774 -4.764 -1.559 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.414 -4.116 -0.612 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -2.960 -5.768 0.238 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.722 -4.503 0.051 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.670 -5.035 -1.358 1.00 12.30 H new ATOM 372 N GLU A 24 0.959 -5.825 -4.701 1.00 9.54 N ATOM 373 CA GLU A 24 1.785 -5.508 -5.824 1.00 11.81 C ATOM 374 C GLU A 24 1.327 -4.425 -6.740 1.00 11.14 C ATOM 375 O GLU A 24 2.067 -3.544 -7.173 1.00 10.62 O ATOM 376 CB GLU A 24 2.098 -6.750 -6.675 1.00 19.24 C ATOM 377 CG GLU A 24 3.042 -6.515 -7.856 1.00 27.76 C ATOM 378 CD GLU A 24 3.497 -7.833 -8.468 1.00 32.92 C ATOM 379 OE1 GLU A 24 2.861 -8.873 -8.150 1.00 36.51 O ATOM 380 OE2 GLU A 24 4.454 -7.881 -9.286 1.00 34.80 O ATOM 0 H GLU A 24 0.792 -6.825 -4.585 1.00 9.54 H new ATOM 0 HA GLU A 24 2.671 -5.114 -5.327 1.00 11.81 H new ATOM 0 HB2 GLU A 24 2.534 -7.512 -6.029 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.160 -7.154 -7.056 1.00 19.24 H new ATOM 0 HG2 GLU A 24 2.539 -5.914 -8.613 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.910 -5.947 -7.523 1.00 27.76 H new ATOM 387 N ASN A 25 0.033 -4.483 -7.103 1.00 9.43 N ATOM 388 CA ASN A 25 -0.529 -3.522 -8.000 1.00 10.96 C ATOM 389 C ASN A 25 -0.757 -2.230 -7.295 1.00 9.68 C ATOM 390 O ASN A 25 -0.687 -1.163 -7.903 1.00 9.33 O ATOM 391 CB ASN A 25 -1.894 -3.950 -8.565 1.00 16.78 C ATOM 392 CG ASN A 25 -1.837 -5.269 -9.323 1.00 22.31 C ATOM 393 OD1 ASN A 25 -0.768 -5.858 -9.477 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.039 -5.761 -9.725 1.00 24.70 N ATOM 0 H ASN A 25 -0.622 -5.193 -6.776 1.00 9.43 H new ATOM 0 HA ASN A 25 0.190 -3.430 -8.814 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -2.608 -4.038 -7.746 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -2.266 -3.171 -9.230 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -3.090 -6.670 -10.185 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.890 -5.221 -9.567 1.00 24.70 H new ATOM 401 N VAL A 26 -1.007 -2.181 -5.974 1.00 6.52 N ATOM 402 CA VAL A 26 -1.025 -0.968 -5.217 1.00 5.53 C ATOM 403 C VAL A 26 0.293 -0.276 -5.291 1.00 4.42 C ATOM 404 O VAL A 26 0.434 0.878 -5.693 1.00 3.40 O ATOM 405 CB VAL A 26 -1.498 -1.194 -3.811 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.367 0.122 -3.026 1.00 7.25 C ATOM 407 CG2 VAL A 26 -2.994 -1.542 -3.884 1.00 8.12 C ATOM 0 H VAL A 26 -1.203 -3.012 -5.415 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.756 -0.296 -5.667 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.919 -1.983 -3.331 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.708 -0.030 -2.002 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.324 0.439 -3.018 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.976 0.891 -3.501 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.377 -1.714 -2.878 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.538 -0.716 -4.343 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.129 -2.443 -4.483 1.00 8.12 H new ATOM 417 N LYS A 27 1.375 -0.992 -4.938 1.00 2.64 N ATOM 418 CA LYS A 27 2.718 -0.500 -4.963 1.00 4.14 C ATOM 419 C LYS A 27 3.213 -0.024 -6.284 1.00 5.58 C ATOM 420 O LYS A 27 3.956 0.956 -6.330 1.00 4.11 O ATOM 421 CB LYS A 27 3.742 -1.587 -4.593 1.00 3.97 C ATOM 422 CG LYS A 27 3.563 -2.196 -3.201 1.00 7.45 C ATOM 423 CD LYS A 27 4.802 -3.026 -2.860 1.00 9.02 C ATOM 424 CE LYS A 27 4.964 -3.650 -1.472 1.00 12.90 C ATOM 425 NZ LYS A 27 6.055 -4.650 -1.489 1.00 15.47 N ATOM 0 H LYS A 27 1.311 -1.959 -4.620 1.00 2.64 H new ATOM 0 HA LYS A 27 2.651 0.324 -4.253 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.685 -2.386 -5.333 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.743 -1.160 -4.661 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.421 -1.409 -2.461 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.671 -2.822 -3.175 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.854 -3.838 -3.585 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.671 -2.390 -3.030 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.183 -2.874 -0.739 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.031 -4.123 -1.166 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 6.295 -4.919 -0.513 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.745 -5.493 -2.014 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.893 -4.242 -1.951 1.00 15.47 H new ATOM 439 N ALA A 28 2.634 -0.515 -7.394 1.00 6.61 N ATOM 440 CA ALA A 28 3.051 -0.172 -8.718 1.00 7.74 C ATOM 441 C ALA A 28 2.573 1.187 -9.101 1.00 9.17 C ATOM 442 O ALA A 28 3.275 1.887 -9.828 1.00 11.45 O ATOM 443 CB ALA A 28 2.325 -1.195 -9.607 1.00 7.68 C ATOM 0 H ALA A 28 1.853 -1.170 -7.370 1.00 6.61 H new ATOM 0 HA ALA A 28 4.137 -0.178 -8.809 1.00 7.74 H new ATOM 0 HB1 ALA A 28 2.581 -1.016 -10.651 1.00 7.68 H new ATOM 0 HB2 ALA A 28 2.631 -2.203 -9.326 1.00 7.68 H new ATOM 0 HB3 ALA A 28 1.248 -1.093 -9.474 1.00 7.68 H new ATOM 449 N LYS A 29 1.443 1.672 -8.555 1.00 8.96 N ATOM 450 CA LYS A 29 0.854 2.962 -8.741 1.00 7.90 C ATOM 451 C LYS A 29 1.782 3.919 -8.075 1.00 6.92 C ATOM 452 O LYS A 29 2.105 4.930 -8.697 1.00 6.87 O ATOM 453 CB LYS A 29 -0.592 3.052 -8.225 1.00 10.28 C ATOM 454 CG LYS A 29 -1.580 2.035 -8.802 1.00 14.94 C ATOM 455 CD LYS A 29 -1.530 1.819 -10.316 1.00 19.69 C ATOM 456 CE LYS A 29 -2.568 0.811 -10.813 1.00 22.63 C ATOM 457 NZ LYS A 29 -2.241 0.309 -12.166 1.00 24.98 N ATOM 0 H LYS A 29 0.888 1.100 -7.919 1.00 8.96 H new ATOM 0 HA LYS A 29 0.744 3.196 -9.800 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.577 2.938 -7.141 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.969 4.053 -8.435 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.406 1.076 -8.314 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.589 2.350 -8.535 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -1.689 2.773 -10.819 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -0.534 1.474 -10.595 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -2.623 -0.027 -10.118 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.552 1.279 -10.827 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -2.967 -0.372 -12.469 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -2.213 1.105 -12.834 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -1.313 -0.160 -12.147 1.00 24.98 H new ATOM 471 N ILE A 30 2.182 3.636 -6.823 1.00 4.57 N ATOM 472 CA ILE A 30 3.047 4.532 -6.121 1.00 5.58 C ATOM 473 C ILE A 30 4.374 4.736 -6.769 1.00 7.26 C ATOM 474 O ILE A 30 5.065 5.753 -6.771 1.00 9.46 O ATOM 475 CB ILE A 30 3.274 4.046 -4.720 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.964 3.897 -3.927 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.202 4.957 -3.899 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.119 3.511 -2.456 1.00 2.00 C ATOM 0 H ILE A 30 1.912 2.801 -6.303 1.00 4.57 H new ATOM 0 HA ILE A 30 2.532 5.493 -6.131 1.00 5.58 H new ATOM 0 HB ILE A 30 3.748 3.074 -4.857 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.419 4.840 -3.981 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.347 3.144 -4.418 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.322 4.546 -2.897 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.176 5.018 -4.385 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.767 5.954 -3.832 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.135 3.434 -1.994 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.630 2.551 -2.384 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.703 4.273 -1.940 1.00 2.00 H new ATOM 490 N GLN A 31 4.933 3.639 -7.311 1.00 7.06 N ATOM 491 CA GLN A 31 6.104 3.585 -8.130 1.00 8.67 C ATOM 492 C GLN A 31 6.053 4.391 -9.382 1.00 10.90 C ATOM 493 O GLN A 31 6.976 5.156 -9.658 1.00 9.63 O ATOM 494 CB GLN A 31 6.542 2.139 -8.418 1.00 9.12 C ATOM 495 CG GLN A 31 7.907 1.893 -9.064 1.00 10.76 C ATOM 496 CD GLN A 31 8.172 0.406 -9.252 1.00 13.78 C ATOM 497 OE1 GLN A 31 7.161 -0.288 -9.149 1.00 14.48 O ATOM 498 NE2 GLN A 31 9.352 -0.087 -9.715 1.00 14.76 N ATOM 0 H GLN A 31 4.531 2.713 -7.163 1.00 7.06 H new ATOM 0 HA GLN A 31 6.866 4.070 -7.520 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.522 1.595 -7.474 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.787 1.688 -9.062 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.950 2.397 -10.030 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.689 2.328 -8.442 1.00 10.76 H new ATOM 0 HE21 GLN A 31 10.167 0.522 -9.785 1.00 14.76 H new ATOM 0 HE22 GLN A 31 9.422 -1.066 -9.992 1.00 14.76 H new ATOM 507 N ASP A 32 4.876 4.378 -10.033 1.00 10.93 N ATOM 508 CA ASP A 32 4.697 5.147 -11.226 1.00 14.01 C ATOM 509 C ASP A 32 4.753 6.579 -10.817 1.00 14.04 C ATOM 510 O ASP A 32 5.656 7.324 -11.194 1.00 13.39 O ATOM 511 CB ASP A 32 3.444 4.678 -11.985 1.00 18.01 C ATOM 512 CG ASP A 32 3.351 5.290 -13.375 1.00 24.33 C ATOM 513 OD1 ASP A 32 4.406 5.654 -13.960 1.00 26.29 O ATOM 514 OD2 ASP A 32 2.247 5.509 -13.941 1.00 25.17 O ATOM 0 H ASP A 32 4.059 3.843 -9.739 1.00 10.93 H new ATOM 0 HA ASP A 32 5.483 5.004 -11.967 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.458 3.591 -12.069 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.555 4.943 -11.413 1.00 18.01 H new ATOM 519 N LYS A 33 3.700 7.017 -10.104 1.00 14.22 N ATOM 520 CA LYS A 33 3.423 8.415 -9.988 1.00 14.00 C ATOM 521 C LYS A 33 4.263 9.187 -9.029 1.00 12.37 C ATOM 522 O LYS A 33 4.449 10.374 -9.293 1.00 12.17 O ATOM 523 CB LYS A 33 1.978 8.598 -9.493 1.00 18.62 C ATOM 524 CG LYS A 33 0.910 7.892 -10.331 1.00 24.00 C ATOM 525 CD LYS A 33 -0.458 7.805 -9.652 1.00 27.61 C ATOM 526 CE LYS A 33 -1.545 7.015 -10.384 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.748 7.594 -11.731 1.00 30.06 N ATOM 0 H LYS A 33 3.045 6.409 -9.612 1.00 14.22 H new ATOM 0 HA LYS A 33 3.629 8.800 -10.987 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.913 8.233 -8.468 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.752 9.664 -9.467 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.801 8.418 -11.279 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.253 6.884 -10.564 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.320 7.359 -8.667 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.824 8.820 -9.495 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.256 5.967 -10.466 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.476 7.046 -9.818 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.532 7.103 -12.205 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.975 8.605 -11.644 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.879 7.481 -12.292 1.00 30.06 H new ATOM 541 N GLU A 34 4.710 8.625 -7.892 1.00 10.11 N ATOM 542 CA GLU A 34 5.532 9.322 -6.951 1.00 10.07 C ATOM 543 C GLU A 34 6.956 8.936 -7.162 1.00 9.32 C ATOM 544 O GLU A 34 7.770 9.747 -7.600 1.00 11.61 O ATOM 545 CB GLU A 34 5.141 8.952 -5.511 1.00 14.77 C ATOM 546 CG GLU A 34 3.810 9.542 -5.040 1.00 18.75 C ATOM 547 CD GLU A 34 3.560 11.018 -5.313 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.247 11.906 -4.740 1.00 25.19 O ATOM 549 OE2 GLU A 34 2.590 11.271 -6.076 1.00 21.95 O ATOM 0 H GLU A 34 4.496 7.666 -7.620 1.00 10.11 H new ATOM 0 HA GLU A 34 5.395 10.393 -7.100 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.091 7.866 -5.430 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.930 9.286 -4.837 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.006 8.973 -5.506 1.00 18.75 H new ATOM 0 HG3 GLU A 34 3.732 9.381 -3.965 1.00 18.75 H new ATOM 556 N GLY A 35 7.331 7.658 -6.971 1.00 7.22 N ATOM 557 CA GLY A 35 8.626 7.114 -7.238 1.00 6.29 C ATOM 558 C GLY A 35 9.260 6.574 -6.002 1.00 6.93 C ATOM 559 O GLY A 35 9.994 7.250 -5.283 1.00 7.41 O ATOM 0 H GLY A 35 6.685 6.959 -6.605 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.542 6.321 -7.981 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.264 7.886 -7.667 1.00 6.29 H new ATOM 563 N ILE A 36 8.976 5.284 -5.747 1.00 5.86 N ATOM 564 CA ILE A 36 9.510 4.611 -4.604 1.00 6.07 C ATOM 565 C ILE A 36 9.737 3.193 -5.003 1.00 6.36 C ATOM 566 O ILE A 36 8.764 2.606 -5.475 1.00 6.18 O ATOM 567 CB ILE A 36 8.593 4.568 -3.418 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.037 5.954 -3.053 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.153 3.869 -2.168 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.060 6.124 -1.891 1.00 9.49 C ATOM 0 H ILE A 36 8.375 4.706 -6.334 1.00 5.86 H new ATOM 0 HA ILE A 36 10.405 5.158 -4.307 1.00 6.07 H new ATOM 0 HB ILE A 36 7.776 3.935 -3.763 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.892 6.598 -2.849 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.547 6.347 -3.944 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.409 3.895 -1.372 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.392 2.833 -2.407 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.056 4.383 -1.838 1.00 7.36 H new ATOM 0 HD11 ILE A 36 6.787 7.175 -1.796 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.165 5.532 -2.079 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.531 5.787 -0.967 1.00 9.49 H new ATOM 582 N PRO A 37 10.850 2.540 -4.844 1.00 8.65 N ATOM 583 CA PRO A 37 10.965 1.154 -5.192 1.00 9.18 C ATOM 584 C PRO A 37 10.095 0.179 -4.477 1.00 9.85 C ATOM 585 O PRO A 37 9.935 0.430 -3.283 1.00 8.51 O ATOM 586 CB PRO A 37 12.408 0.728 -4.933 1.00 11.42 C ATOM 587 CG PRO A 37 13.179 2.051 -5.064 1.00 9.27 C ATOM 588 CD PRO A 37 12.166 3.111 -4.603 1.00 8.33 C ATOM 0 HA PRO A 37 10.638 1.115 -6.231 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.528 0.285 -3.944 1.00 11.42 H new ATOM 0 HB3 PRO A 37 12.748 -0.012 -5.657 1.00 11.42 H new ATOM 0 HG2 PRO A 37 14.074 2.056 -4.442 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.502 2.226 -6.090 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.301 3.347 -3.548 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.295 4.041 -5.157 1.00 8.33 H new ATOM 596 N PRO A 38 9.623 -0.874 -5.076 1.00 8.71 N ATOM 597 CA PRO A 38 8.572 -1.688 -4.538 1.00 9.08 C ATOM 598 C PRO A 38 8.967 -2.660 -3.481 1.00 9.28 C ATOM 599 O PRO A 38 8.137 -3.179 -2.736 1.00 6.50 O ATOM 600 CB PRO A 38 7.997 -2.451 -5.729 1.00 10.31 C ATOM 601 CG PRO A 38 9.244 -2.710 -6.590 1.00 10.81 C ATOM 602 CD PRO A 38 9.933 -1.347 -6.417 1.00 12.00 C ATOM 0 HA PRO A 38 7.868 -1.026 -4.034 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.515 -3.379 -5.422 1.00 10.31 H new ATOM 0 HB3 PRO A 38 7.249 -1.865 -6.264 1.00 10.31 H new ATOM 0 HG2 PRO A 38 9.848 -3.539 -6.220 1.00 10.81 H new ATOM 0 HG3 PRO A 38 9.001 -2.932 -7.629 1.00 10.81 H new ATOM 0 HD2 PRO A 38 11.011 -1.441 -6.552 1.00 12.00 H new ATOM 0 HD3 PRO A 38 9.578 -0.639 -7.166 1.00 12.00 H new ATOM 610 N ASP A 39 10.291 -2.883 -3.390 1.00 11.20 N ATOM 611 CA ASP A 39 10.790 -3.707 -2.334 1.00 14.96 C ATOM 612 C ASP A 39 10.939 -2.875 -1.107 1.00 13.99 C ATOM 613 O ASP A 39 10.779 -3.298 0.037 1.00 13.75 O ATOM 614 CB ASP A 39 12.067 -4.343 -2.910 1.00 24.16 C ATOM 615 CG ASP A 39 12.332 -5.620 -2.127 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.681 -6.686 -2.289 1.00 35.55 O ATOM 617 OD2 ASP A 39 13.325 -5.507 -1.360 1.00 34.22 O ATOM 0 H ASP A 39 10.995 -2.507 -4.025 1.00 11.20 H new ATOM 0 HA ASP A 39 10.138 -4.517 -2.009 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.942 -4.562 -3.970 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.910 -3.658 -2.823 1.00 24.16 H new ATOM 622 N GLN A 40 11.315 -1.589 -1.226 1.00 11.60 N ATOM 623 CA GLN A 40 11.491 -0.711 -0.112 1.00 10.76 C ATOM 624 C GLN A 40 10.152 -0.352 0.436 1.00 8.01 C ATOM 625 O GLN A 40 9.971 -0.105 1.627 1.00 8.96 O ATOM 626 CB GLN A 40 12.343 0.519 -0.468 1.00 11.14 C ATOM 627 CG GLN A 40 12.520 1.615 0.586 1.00 14.85 C ATOM 628 CD GLN A 40 13.064 1.156 1.931 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.586 0.167 2.486 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.101 1.870 2.445 1.00 18.16 N ATOM 0 H GLN A 40 11.502 -1.147 -2.126 1.00 11.60 H new ATOM 0 HA GLN A 40 12.056 -1.226 0.665 1.00 10.76 H new ATOM 0 HB2 GLN A 40 13.335 0.165 -0.748 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.907 0.979 -1.355 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.190 2.375 0.184 1.00 14.85 H new ATOM 0 HG3 GLN A 40 11.555 2.095 0.750 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.459 2.683 1.943 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.521 1.593 3.332 1.00 18.16 H new ATOM 639 N GLN A 41 9.093 -0.306 -0.391 1.00 6.52 N ATOM 640 CA GLN A 41 7.815 -0.091 0.215 1.00 3.87 C ATOM 641 C GLN A 41 7.337 -1.167 1.128 1.00 4.79 C ATOM 642 O GLN A 41 7.254 -2.313 0.689 1.00 6.34 O ATOM 643 CB GLN A 41 6.693 -0.010 -0.834 1.00 4.20 C ATOM 644 CG GLN A 41 6.810 1.128 -1.850 1.00 3.20 C ATOM 645 CD GLN A 41 5.700 1.140 -2.891 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.503 1.222 -2.623 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.115 1.068 -4.184 1.00 7.13 N ATOM 0 H GLN A 41 9.110 -0.409 -1.406 1.00 6.52 H new ATOM 0 HA GLN A 41 7.992 0.831 0.769 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.661 -0.954 -1.377 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.741 0.090 -0.313 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.806 2.079 -1.318 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.771 1.051 -2.358 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.110 1.000 -4.397 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.431 1.082 -4.941 1.00 7.13 H new ATOM 656 N ARG A 42 6.817 -0.727 2.288 1.00 5.73 N ATOM 657 CA ARG A 42 6.079 -1.548 3.197 1.00 6.97 C ATOM 658 C ARG A 42 4.777 -0.935 3.583 1.00 7.15 C ATOM 659 O ARG A 42 4.652 0.157 4.136 1.00 7.33 O ATOM 660 CB ARG A 42 6.954 -1.844 4.426 1.00 13.23 C ATOM 661 CG ARG A 42 6.245 -2.727 5.455 1.00 21.27 C ATOM 662 CD ARG A 42 7.189 -3.334 6.495 1.00 26.14 C ATOM 663 NE ARG A 42 7.752 -4.525 5.798 1.00 32.26 N ATOM 664 CZ ARG A 42 8.583 -5.456 6.350 1.00 34.32 C ATOM 665 NH1 ARG A 42 8.998 -5.468 7.650 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.022 -6.506 5.596 1.00 36.39 N ATOM 0 H ARG A 42 6.914 0.238 2.605 1.00 5.73 H new ATOM 0 HA ARG A 42 5.829 -2.484 2.698 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.873 -2.334 4.104 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.243 -0.904 4.897 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.486 -2.136 5.967 1.00 21.27 H new ATOM 0 HG3 ARG A 42 5.725 -3.532 4.935 1.00 21.27 H new ATOM 0 HD2 ARG A 42 7.971 -2.632 6.786 1.00 26.14 H new ATOM 0 HD3 ARG A 42 6.658 -3.615 7.404 1.00 26.14 H new ATOM 0 HE ARG A 42 7.493 -4.656 4.820 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.684 -4.740 8.292 1.00 35.30 H new ATOM 0 HH12 ARG A 42 9.622 -6.205 7.979 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.729 -6.593 4.623 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.643 -7.204 6.006 1.00 36.39 H new ATOM 680 N LEU A 43 3.754 -1.680 3.129 1.00 4.65 N ATOM 681 CA LEU A 43 2.416 -1.256 3.406 1.00 3.51 C ATOM 682 C LEU A 43 1.858 -1.885 4.636 1.00 5.56 C ATOM 683 O LEU A 43 1.778 -3.109 4.733 1.00 4.19 O ATOM 684 CB LEU A 43 1.564 -1.564 2.164 1.00 3.74 C ATOM 685 CG LEU A 43 1.795 -0.681 0.926 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.031 -1.218 -0.296 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.391 0.769 1.244 1.00 9.55 C ATOM 0 H LEU A 43 3.844 -2.542 2.591 1.00 4.65 H new ATOM 0 HA LEU A 43 2.408 -0.185 3.611 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.742 -2.601 1.879 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.514 -1.486 2.445 1.00 3.74 H new ATOM 0 HG LEU A 43 2.855 -0.703 0.673 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.216 -0.571 -1.154 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.372 -2.228 -0.523 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.037 -1.236 -0.078 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.555 1.393 0.366 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.337 0.801 1.520 1.00 9.55 H new ATOM 0 HD23 LEU A 43 1.994 1.142 2.072 1.00 9.55 H new ATOM 699 N ILE A 44 1.484 -1.066 5.635 1.00 4.58 N ATOM 700 CA ILE A 44 0.946 -1.624 6.838 1.00 5.55 C ATOM 701 C ILE A 44 -0.511 -1.319 6.893 1.00 5.46 C ATOM 702 O ILE A 44 -0.977 -0.192 6.729 1.00 6.04 O ATOM 703 CB ILE A 44 1.487 -1.030 8.104 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.012 -1.212 8.188 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.842 -1.439 9.439 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.520 -2.647 8.064 1.00 13.90 C ATOM 0 H ILE A 44 1.550 -0.048 5.615 1.00 4.58 H new ATOM 0 HA ILE A 44 1.204 -2.682 6.795 1.00 5.55 H new ATOM 0 HB ILE A 44 1.203 0.017 7.999 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.474 -0.614 7.402 1.00 10.31 H new ATOM 0 HG13 ILE A 44 3.355 -0.807 9.140 1.00 10.31 H new ATOM 0 HG21 ILE A 44 1.344 -0.925 10.258 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.213 -1.166 9.432 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.937 -2.516 9.574 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.608 -2.656 8.137 1.00 13.90 H new ATOM 0 HD12 ILE A 44 3.097 -3.253 8.865 1.00 13.90 H new ATOM 0 HD13 ILE A 44 3.218 -3.058 7.101 1.00 13.90 H new ATOM 718 N PHE A 45 -1.287 -2.384 7.164 1.00 6.75 N ATOM 719 CA PHE A 45 -2.658 -2.232 7.543 1.00 4.70 C ATOM 720 C PHE A 45 -2.919 -2.601 8.963 1.00 6.34 C ATOM 721 O PHE A 45 -2.871 -3.739 9.426 1.00 5.45 O ATOM 722 CB PHE A 45 -3.509 -3.170 6.670 1.00 5.51 C ATOM 723 CG PHE A 45 -4.984 -3.064 6.851 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.664 -1.918 6.509 1.00 6.86 C ATOM 725 CD2 PHE A 45 -5.657 -4.097 7.459 1.00 5.87 C ATOM 726 CE1 PHE A 45 -7.038 -1.936 6.532 1.00 6.68 C ATOM 727 CE2 PHE A 45 -7.026 -4.110 7.582 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.690 -3.008 7.095 1.00 6.84 C ATOM 0 H PHE A 45 -0.965 -3.351 7.121 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.909 -1.180 7.411 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.275 -2.973 5.624 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.210 -4.198 6.876 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -5.129 -1.023 6.228 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.090 -4.927 7.854 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -7.601 -1.116 6.112 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -7.550 -4.938 8.035 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.768 -2.984 7.157 1.00 6.84 H new ATOM 738 N ALA A 46 -3.115 -1.592 9.830 1.00 6.53 N ATOM 739 CA ALA A 46 -3.163 -1.621 11.259 1.00 7.15 C ATOM 740 C ALA A 46 -1.794 -1.855 11.800 1.00 9.00 C ATOM 741 O ALA A 46 -1.085 -0.883 12.059 1.00 11.15 O ATOM 742 CB ALA A 46 -4.214 -2.505 11.951 1.00 8.99 C ATOM 0 H ALA A 46 -3.256 -0.643 9.483 1.00 6.53 H new ATOM 0 HA ALA A 46 -3.537 -0.631 11.518 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -4.113 -2.411 13.032 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -5.212 -2.187 11.650 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -4.062 -3.545 11.661 1.00 8.99 H new ATOM 748 N GLY A 47 -1.367 -3.128 11.875 1.00 9.35 N ATOM 749 CA GLY A 47 0.009 -3.438 12.107 1.00 11.68 C ATOM 750 C GLY A 47 0.287 -4.768 11.495 1.00 11.14 C ATOM 751 O GLY A 47 1.143 -5.500 11.989 1.00 13.93 O ATOM 0 H GLY A 47 -1.974 -3.942 11.775 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.652 -2.674 11.669 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.221 -3.458 13.176 1.00 11.68 H new ATOM 755 N LYS A 48 -0.443 -5.140 10.428 1.00 10.47 N ATOM 756 CA LYS A 48 -0.214 -6.352 9.703 1.00 8.82 C ATOM 757 C LYS A 48 0.393 -5.905 8.418 1.00 7.68 C ATOM 758 O LYS A 48 -0.268 -5.136 7.721 1.00 6.47 O ATOM 759 CB LYS A 48 -1.544 -7.110 9.547 1.00 9.74 C ATOM 760 CG LYS A 48 -1.594 -8.257 8.536 1.00 14.14 C ATOM 761 CD LYS A 48 -0.735 -9.506 8.751 1.00 16.32 C ATOM 762 CE LYS A 48 -1.103 -10.304 10.003 1.00 20.04 C ATOM 763 NZ LYS A 48 -0.236 -11.495 10.148 1.00 23.92 N ATOM 0 H LYS A 48 -1.214 -4.583 10.059 1.00 10.47 H new ATOM 0 HA LYS A 48 0.452 -7.059 10.197 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.818 -7.511 10.523 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -2.312 -6.387 9.272 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -2.631 -8.585 8.469 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.327 -7.844 7.563 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -0.828 -10.153 7.879 1.00 16.32 H new ATOM 0 HD3 LYS A 48 0.312 -9.208 8.817 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.006 -9.670 10.884 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.146 -10.614 9.947 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -0.506 -12.019 11.005 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -0.348 -12.110 9.317 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 0.757 -11.195 10.225 1.00 23.92 H new ATOM 777 N GLN A 49 1.682 -6.225 8.207 1.00 8.89 N ATOM 778 CA GLN A 49 2.420 -5.943 7.015 1.00 7.18 C ATOM 779 C GLN A 49 1.920 -6.806 5.909 1.00 8.23 C ATOM 780 O GLN A 49 1.752 -8.022 5.991 1.00 9.70 O ATOM 781 CB GLN A 49 3.940 -6.115 7.179 1.00 11.67 C ATOM 782 CG GLN A 49 4.466 -7.548 7.281 1.00 15.82 C ATOM 783 CD GLN A 49 5.865 -7.685 7.866 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.095 -7.387 9.037 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.805 -8.243 7.058 1.00 20.67 N ATOM 0 H GLN A 49 2.241 -6.709 8.910 1.00 8.89 H new ATOM 0 HA GLN A 49 2.259 -4.891 6.781 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.429 -5.633 6.333 1.00 11.67 H new ATOM 0 HB3 GLN A 49 4.248 -5.576 8.075 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.775 -8.129 7.892 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.461 -7.992 6.285 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.574 -8.476 6.092 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.741 -8.429 7.418 1.00 20.67 H new ATOM 794 N LEU A 50 1.639 -6.144 4.772 1.00 6.51 N ATOM 795 CA LEU A 50 0.984 -6.736 3.647 1.00 7.41 C ATOM 796 C LEU A 50 1.913 -7.318 2.637 1.00 8.27 C ATOM 797 O LEU A 50 2.713 -6.595 2.048 1.00 8.34 O ATOM 798 CB LEU A 50 0.109 -5.695 2.929 1.00 7.13 C ATOM 799 CG LEU A 50 -0.845 -4.922 3.855 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.563 -3.872 2.991 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.899 -5.811 4.537 1.00 8.14 C ATOM 0 H LEU A 50 1.876 -5.162 4.631 1.00 6.51 H new ATOM 0 HA LEU A 50 0.389 -7.549 4.063 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.757 -4.983 2.419 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.478 -6.199 2.161 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.254 -4.480 4.657 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.252 -3.299 3.612 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.828 -3.199 2.550 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.119 -4.372 2.198 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.536 -5.197 5.174 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.509 -6.300 3.777 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.400 -6.567 5.143 1.00 8.14 H new ATOM 813 N GLU A 51 1.793 -8.611 2.285 1.00 9.43 N ATOM 814 CA GLU A 51 2.514 -9.269 1.241 1.00 11.90 C ATOM 815 C GLU A 51 2.090 -8.962 -0.155 1.00 11.49 C ATOM 816 O GLU A 51 0.908 -8.843 -0.471 1.00 9.88 O ATOM 817 CB GLU A 51 2.454 -10.805 1.293 1.00 16.56 C ATOM 818 CG GLU A 51 3.027 -11.340 2.607 1.00 26.06 C ATOM 819 CD GLU A 51 3.246 -12.844 2.518 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.309 -13.617 2.853 1.00 32.13 O ATOM 821 OE2 GLU A 51 4.432 -13.220 2.318 1.00 33.44 O ATOM 0 H GLU A 51 1.147 -9.238 2.764 1.00 9.43 H new ATOM 0 HA GLU A 51 3.507 -8.870 1.447 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.421 -11.135 1.184 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.012 -11.221 0.454 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.970 -10.841 2.829 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.346 -11.113 3.427 1.00 26.06 H new ATOM 828 N ASP A 52 3.043 -8.748 -1.080 1.00 12.71 N ATOM 829 CA ASP A 52 2.878 -8.530 -2.483 1.00 16.56 C ATOM 830 C ASP A 52 1.844 -9.324 -3.206 1.00 15.83 C ATOM 831 O ASP A 52 0.955 -8.802 -3.877 1.00 17.21 O ATOM 832 CB ASP A 52 4.197 -8.840 -3.211 1.00 21.05 C ATOM 833 CG ASP A 52 5.282 -8.007 -2.544 1.00 25.12 C ATOM 834 OD1 ASP A 52 5.364 -6.809 -2.924 1.00 25.82 O ATOM 835 OD2 ASP A 52 6.120 -8.571 -1.791 1.00 28.37 O ATOM 0 H ASP A 52 4.028 -8.726 -0.815 1.00 12.71 H new ATOM 0 HA ASP A 52 2.551 -7.491 -2.510 1.00 16.56 H new ATOM 0 HB2 ASP A 52 4.432 -9.902 -3.146 1.00 21.05 H new ATOM 0 HB3 ASP A 52 4.119 -8.595 -4.270 1.00 21.05 H new ATOM 840 N GLY A 53 1.929 -10.665 -3.241 1.00 15.00 N ATOM 841 CA GLY A 53 0.963 -11.427 -3.971 1.00 11.77 C ATOM 842 C GLY A 53 -0.467 -11.459 -3.557 1.00 11.10 C ATOM 843 O GLY A 53 -1.280 -12.009 -4.299 1.00 11.25 O ATOM 0 H GLY A 53 2.651 -11.214 -2.774 1.00 15.00 H new ATOM 0 HA2 GLY A 53 0.988 -11.070 -5.001 1.00 11.77 H new ATOM 0 HA3 GLY A 53 1.314 -12.459 -3.982 1.00 11.77 H new ATOM 847 N ARG A 54 -0.848 -10.941 -2.376 1.00 8.53 N ATOM 848 CA ARG A 54 -2.204 -11.160 -1.976 1.00 9.05 C ATOM 849 C ARG A 54 -3.138 -10.045 -2.297 1.00 8.96 C ATOM 850 O ARG A 54 -2.758 -8.939 -2.676 1.00 11.60 O ATOM 851 CB ARG A 54 -2.307 -11.434 -0.466 1.00 7.97 C ATOM 852 CG ARG A 54 -1.312 -12.496 0.006 1.00 9.62 C ATOM 853 CD ARG A 54 -1.448 -12.916 1.471 1.00 12.20 C ATOM 854 NE ARG A 54 -0.384 -13.895 1.832 1.00 18.23 N ATOM 855 CZ ARG A 54 -0.276 -15.147 1.299 1.00 22.08 C ATOM 856 NH1 ARG A 54 -1.326 -15.854 0.790 1.00 23.38 N ATOM 857 NH2 ARG A 54 0.975 -15.687 1.387 1.00 25.50 N ATOM 0 H ARG A 54 -0.263 -10.405 -1.734 1.00 8.53 H new ATOM 0 HA ARG A 54 -2.509 -12.028 -2.560 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.131 -10.508 0.081 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -3.320 -11.758 -0.227 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -1.426 -13.381 -0.620 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -0.302 -12.120 -0.155 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -1.378 -12.039 2.115 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.430 -13.358 1.640 1.00 12.20 H new ATOM 0 HE ARG A 54 0.310 -13.611 2.523 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -2.262 -15.450 0.793 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -1.175 -16.787 0.406 1.00 23.38 H new ATOM 0 HH21 ARG A 54 1.730 -15.157 1.824 1.00 25.50 H new ATOM 0 HH22 ARG A 54 1.155 -16.620 1.016 1.00 25.50 H new ATOM 871 N THR A 55 -4.470 -10.227 -2.256 1.00 9.05 N ATOM 872 CA THR A 55 -5.424 -9.261 -2.705 1.00 9.03 C ATOM 873 C THR A 55 -5.763 -8.345 -1.580 1.00 8.15 C ATOM 874 O THR A 55 -5.751 -8.757 -0.421 1.00 5.91 O ATOM 875 CB THR A 55 -6.680 -9.757 -3.359 1.00 11.15 C ATOM 876 OG1 THR A 55 -7.308 -10.824 -2.664 1.00 11.95 O ATOM 877 CG2 THR A 55 -6.307 -10.329 -4.738 1.00 11.71 C ATOM 0 H THR A 55 -4.899 -11.080 -1.896 1.00 9.05 H new ATOM 0 HA THR A 55 -4.911 -8.756 -3.523 1.00 9.03 H new ATOM 0 HB THR A 55 -7.363 -8.908 -3.390 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.234 -10.579 -2.456 1.00 11.95 H new ATOM 0 HG21 THR A 55 -7.205 -10.697 -5.234 1.00 11.71 H new ATOM 0 HG22 THR A 55 -5.851 -9.547 -5.345 1.00 11.71 H new ATOM 0 HG23 THR A 55 -5.600 -11.149 -4.613 1.00 11.71 H new ATOM 885 N LEU A 56 -6.272 -7.152 -1.935 1.00 6.91 N ATOM 886 CA LEU A 56 -6.817 -6.244 -0.974 1.00 8.29 C ATOM 887 C LEU A 56 -8.004 -6.815 -0.278 1.00 8.05 C ATOM 888 O LEU A 56 -8.054 -6.766 0.950 1.00 10.17 O ATOM 889 CB LEU A 56 -7.148 -4.881 -1.604 1.00 6.60 C ATOM 890 CG LEU A 56 -5.934 -4.188 -2.245 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.207 -3.614 -3.645 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.391 -3.086 -1.321 1.00 9.85 C ATOM 0 H LEU A 56 -6.306 -6.814 -2.897 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.045 -6.083 -0.222 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -7.919 -5.018 -2.362 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -7.566 -4.228 -0.838 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.185 -4.969 -2.376 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.302 -3.142 -4.028 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -6.508 -4.419 -4.316 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.005 -2.874 -3.585 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.532 -2.607 -1.792 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.169 -2.343 -1.144 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.086 -3.525 -0.371 1.00 9.85 H new ATOM 904 N SER A 57 -8.934 -7.531 -0.935 1.00 8.92 N ATOM 905 CA SER A 57 -9.977 -8.299 -0.330 1.00 9.00 C ATOM 906 C SER A 57 -9.582 -9.207 0.783 1.00 9.44 C ATOM 907 O SER A 57 -10.305 -9.243 1.777 1.00 10.91 O ATOM 908 CB SER A 57 -10.881 -9.048 -1.323 1.00 10.32 C ATOM 909 OG SER A 57 -10.022 -9.720 -2.233 1.00 13.59 O ATOM 0 H SER A 57 -8.958 -7.576 -1.954 1.00 8.92 H new ATOM 0 HA SER A 57 -10.558 -7.500 0.130 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.523 -9.758 -0.802 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.535 -8.353 -1.850 1.00 10.32 H new ATOM 0 HG SER A 57 -10.560 -10.214 -2.886 1.00 13.59 H new ATOM 915 N ASP A 58 -8.403 -9.852 0.731 1.00 9.11 N ATOM 916 CA ASP A 58 -8.007 -10.941 1.569 1.00 7.91 C ATOM 917 C ASP A 58 -7.739 -10.413 2.937 1.00 9.12 C ATOM 918 O ASP A 58 -8.082 -11.033 3.943 1.00 8.61 O ATOM 919 CB ASP A 58 -6.717 -11.460 0.911 1.00 8.41 C ATOM 920 CG ASP A 58 -6.319 -12.869 1.325 1.00 11.50 C ATOM 921 OD1 ASP A 58 -7.234 -13.717 1.148 1.00 11.70 O ATOM 922 OD2 ASP A 58 -5.203 -13.306 1.715 1.00 10.05 O ATOM 0 H ASP A 58 -7.680 -9.595 0.059 1.00 9.11 H new ATOM 0 HA ASP A 58 -8.756 -11.727 1.666 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -6.841 -11.435 -0.172 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -5.901 -10.779 1.154 1.00 8.41 H new ATOM 927 N TYR A 59 -7.070 -9.253 3.060 1.00 7.97 N ATOM 928 CA TYR A 59 -6.733 -8.610 4.291 1.00 8.45 C ATOM 929 C TYR A 59 -7.859 -7.777 4.799 1.00 10.98 C ATOM 930 O TYR A 59 -7.757 -7.153 5.854 1.00 12.95 O ATOM 931 CB TYR A 59 -5.567 -7.647 4.010 1.00 7.94 C ATOM 932 CG TYR A 59 -4.318 -8.455 3.932 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.700 -9.030 5.018 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.656 -8.412 2.728 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.423 -9.526 4.889 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.403 -8.961 2.589 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.805 -9.579 3.662 1.00 6.76 C ATOM 938 OH TYR A 59 -0.563 -10.204 3.421 1.00 7.63 O ATOM 0 H TYR A 59 -6.744 -8.731 2.246 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.489 -9.378 5.025 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.733 -7.109 3.077 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.490 -6.900 4.800 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.214 -9.092 5.966 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.127 -7.940 1.879 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -1.898 -9.879 5.765 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -1.890 -8.907 1.640 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.446 -10.950 4.045 1.00 7.63 H new ATOM 948 N ASN A 60 -8.990 -7.753 4.071 1.00 12.38 N ATOM 949 CA ASN A 60 -10.194 -7.102 4.484 1.00 13.94 C ATOM 950 C ASN A 60 -10.008 -5.628 4.374 1.00 14.16 C ATOM 951 O ASN A 60 -10.339 -4.905 5.312 1.00 14.26 O ATOM 952 CB ASN A 60 -10.778 -7.576 5.826 1.00 19.23 C ATOM 953 CG ASN A 60 -10.856 -9.090 5.955 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.214 -9.671 6.829 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.744 -9.781 5.192 1.00 24.09 N ATOM 0 H ASN A 60 -9.068 -8.205 3.160 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.985 -7.406 3.798 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.167 -7.181 6.638 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.777 -7.157 5.946 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.878 -10.781 5.344 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.277 -9.300 4.467 1.00 24.09 H new ATOM 962 N ILE A 61 -9.370 -5.138 3.296 1.00 11.08 N ATOM 963 CA ILE A 61 -9.169 -3.745 3.043 1.00 11.78 C ATOM 964 C ILE A 61 -10.316 -3.099 2.344 1.00 13.74 C ATOM 965 O ILE A 61 -10.680 -3.608 1.286 1.00 14.60 O ATOM 966 CB ILE A 61 -7.896 -3.363 2.347 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.783 -3.817 3.306 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.671 -1.863 2.092 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.539 -4.192 2.502 1.00 11.42 C ATOM 0 H ILE A 61 -8.978 -5.738 2.570 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.086 -3.360 4.059 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.919 -3.820 1.358 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.547 -3.019 4.010 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.120 -4.671 3.893 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.717 -1.719 1.584 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.477 -1.475 1.469 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.659 -1.330 3.043 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.750 -4.514 3.182 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.780 -5.004 1.816 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.198 -3.326 1.934 1.00 11.42 H new ATOM 981 N GLN A 62 -10.932 -2.049 2.916 1.00 13.97 N ATOM 982 CA GLN A 62 -12.099 -1.460 2.337 1.00 15.52 C ATOM 983 C GLN A 62 -11.836 -0.080 1.841 1.00 13.94 C ATOM 984 O GLN A 62 -10.704 0.393 1.928 1.00 12.15 O ATOM 985 CB GLN A 62 -13.156 -1.361 3.450 1.00 19.53 C ATOM 986 CG GLN A 62 -13.420 -2.680 4.179 1.00 26.38 C ATOM 987 CD GLN A 62 -14.612 -2.646 5.125 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.251 -1.640 5.427 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.885 -3.804 5.784 1.00 32.71 N ATOM 0 H GLN A 62 -10.621 -1.607 3.781 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.422 -2.072 1.495 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.834 -0.615 4.176 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.091 -1.003 3.018 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.580 -3.464 3.439 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.530 -2.953 4.745 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -14.371 -4.655 5.555 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.604 -3.822 6.507 1.00 32.71 H new ATOM 998 N LYS A 63 -12.842 0.531 1.189 1.00 11.73 N ATOM 999 CA LYS A 63 -12.738 1.887 0.746 1.00 11.97 C ATOM 1000 C LYS A 63 -12.663 2.780 1.937 1.00 10.41 C ATOM 1001 O LYS A 63 -13.128 2.553 3.052 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.979 2.479 0.057 1.00 13.73 C ATOM 1003 CG LYS A 63 -15.331 2.425 0.772 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.302 3.397 0.100 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.703 3.477 0.709 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.642 4.116 2.043 1.00 25.97 N ATOM 0 H LYS A 63 -13.731 0.083 0.968 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.886 1.850 0.067 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.765 3.526 -0.160 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.095 1.972 -0.901 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.732 1.412 0.738 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -15.209 2.685 1.824 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.861 4.393 0.123 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.399 3.115 -0.948 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -18.361 4.048 0.054 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -18.128 2.477 0.795 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.607 4.273 2.397 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.128 3.496 2.702 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.147 5.028 1.969 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.986 3.926 1.739 1.00 10.04 N ATOM 1021 CA GLU A 64 -11.604 4.914 2.699 1.00 10.94 C ATOM 1022 C GLU A 64 -10.660 4.563 3.797 1.00 9.74 C ATOM 1023 O GLU A 64 -10.258 5.329 4.671 1.00 9.42 O ATOM 1024 CB GLU A 64 -12.815 5.596 3.359 1.00 18.31 C ATOM 1025 CG GLU A 64 -13.750 6.055 2.238 1.00 24.16 C ATOM 1026 CD GLU A 64 -15.045 6.572 2.846 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -15.080 7.038 4.017 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -16.134 6.476 2.219 1.00 31.72 O ATOM 0 H GLU A 64 -11.674 4.185 0.803 1.00 10.04 H new ATOM 0 HA GLU A 64 -11.037 5.565 2.033 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -13.328 4.904 4.027 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -12.495 6.445 3.963 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -13.273 6.838 1.648 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.958 5.227 1.560 1.00 24.16 H new ATOM 1035 N SER A 65 -10.175 3.312 3.702 1.00 6.85 N ATOM 1036 CA SER A 65 -9.139 2.883 4.589 1.00 6.90 C ATOM 1037 C SER A 65 -7.886 3.573 4.172 1.00 4.72 C ATOM 1038 O SER A 65 -7.732 3.956 3.013 1.00 3.91 O ATOM 1039 CB SER A 65 -8.780 1.389 4.532 1.00 7.28 C ATOM 1040 OG SER A 65 -9.941 0.579 4.643 1.00 10.56 O ATOM 0 H SER A 65 -10.490 2.613 3.029 1.00 6.85 H new ATOM 0 HA SER A 65 -9.512 3.105 5.589 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.269 1.170 3.595 1.00 7.28 H new ATOM 0 HB3 SER A 65 -8.086 1.148 5.337 1.00 7.28 H new ATOM 0 HG SER A 65 -10.313 0.417 3.751 1.00 10.56 H new ATOM 1046 N THR A 66 -6.898 3.597 5.085 1.00 4.48 N ATOM 1047 CA THR A 66 -5.660 4.274 4.855 1.00 3.80 C ATOM 1048 C THR A 66 -4.536 3.355 5.187 1.00 4.60 C ATOM 1049 O THR A 66 -4.551 2.840 6.304 1.00 5.33 O ATOM 1050 CB THR A 66 -5.382 5.463 5.727 1.00 2.85 C ATOM 1051 OG1 THR A 66 -6.436 6.412 5.658 1.00 2.15 O ATOM 1052 CG2 THR A 66 -4.222 6.260 5.106 1.00 3.40 C ATOM 0 H THR A 66 -6.960 3.140 5.995 1.00 4.48 H new ATOM 0 HA THR A 66 -5.740 4.595 3.816 1.00 3.80 H new ATOM 0 HB THR A 66 -5.213 5.079 6.733 1.00 2.85 H new ATOM 0 HG1 THR A 66 -6.228 7.175 6.237 1.00 2.15 H new ATOM 0 HG21 THR A 66 -4.005 7.130 5.726 1.00 3.40 H new ATOM 0 HG22 THR A 66 -3.337 5.627 5.046 1.00 3.40 H new ATOM 0 HG23 THR A 66 -4.501 6.589 4.105 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.653 3.075 4.212 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.467 2.330 4.500 1.00 3.85 C ATOM 1062 C LEU A 67 -1.309 3.209 4.827 1.00 3.80 C ATOM 1063 O LEU A 67 -1.087 4.316 4.339 1.00 5.54 O ATOM 1064 CB LEU A 67 -2.082 1.485 3.274 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.243 0.741 2.594 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.734 -0.071 1.391 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -4.071 -0.048 3.622 1.00 8.12 C ATOM 0 H LEU A 67 -3.757 3.359 3.238 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.687 1.706 5.366 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.610 2.137 2.539 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.333 0.754 3.579 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.947 1.458 2.171 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.570 -0.591 0.923 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.273 0.601 0.667 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.998 -0.800 1.729 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.885 -0.565 3.114 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.433 -0.778 4.120 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -4.482 0.639 4.362 1.00 8.12 H new ATOM 1079 N HIS A 68 -0.380 2.718 5.667 1.00 2.94 N ATOM 1080 CA HIS A 68 0.747 3.498 6.074 1.00 4.17 C ATOM 1081 C HIS A 68 1.988 2.980 5.433 1.00 5.32 C ATOM 1082 O HIS A 68 2.293 1.789 5.464 1.00 7.70 O ATOM 1083 CB HIS A 68 0.967 3.326 7.586 1.00 5.57 C ATOM 1084 CG HIS A 68 1.915 4.324 8.182 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.569 4.056 9.367 1.00 13.74 N ATOM 1086 CD2 HIS A 68 2.421 5.484 7.683 1.00 12.79 C ATOM 1087 CE1 HIS A 68 3.503 5.038 9.479 1.00 14.75 C ATOM 1088 NE2 HIS A 68 3.397 5.955 8.536 1.00 16.30 N ATOM 0 H HIS A 68 -0.410 1.779 6.065 1.00 2.94 H new ATOM 0 HA HIS A 68 0.553 4.534 5.797 1.00 4.17 H new ATOM 0 HB2 HIS A 68 0.006 3.405 8.094 1.00 5.57 H new ATOM 0 HB3 HIS A 68 1.346 2.322 7.776 1.00 5.57 H new ATOM 0 HD2 HIS A 68 2.108 5.960 6.765 1.00 12.79 H new ATOM 0 HE1 HIS A 68 4.252 5.065 10.257 1.00 14.75 H new ATOM 0 HE2 HIS A 68 3.924 6.825 8.455 1.00 16.30 H new ATOM 1096 N LEU A 69 2.723 3.900 4.782 1.00 5.29 N ATOM 1097 CA LEU A 69 3.852 3.574 3.968 1.00 3.97 C ATOM 1098 C LEU A 69 5.135 3.660 4.720 1.00 5.07 C ATOM 1099 O LEU A 69 5.586 4.758 5.044 1.00 4.34 O ATOM 1100 CB LEU A 69 3.953 4.366 2.653 1.00 6.08 C ATOM 1101 CG LEU A 69 5.118 4.012 1.714 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.892 2.568 1.234 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.212 5.162 0.697 1.00 6.87 C ATOM 0 H LEU A 69 2.526 4.900 4.823 1.00 5.29 H new ATOM 0 HA LEU A 69 3.674 2.537 3.684 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.021 4.231 2.103 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.026 5.425 2.900 1.00 6.08 H new ATOM 0 HG LEU A 69 6.118 3.965 2.144 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.700 2.277 0.563 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.875 1.897 2.093 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.941 2.505 0.705 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.027 4.965 -0.000 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.274 5.239 0.147 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.402 6.098 1.223 1.00 6.87 H new ATOM 1115 N VAL A 70 5.732 2.521 5.115 1.00 4.29 N ATOM 1116 CA VAL A 70 6.907 2.480 5.929 1.00 6.26 C ATOM 1117 C VAL A 70 7.968 1.837 5.103 1.00 9.22 C ATOM 1118 O VAL A 70 7.739 1.661 3.907 1.00 9.36 O ATOM 1119 CB VAL A 70 6.850 1.958 7.334 1.00 8.69 C ATOM 1120 CG1 VAL A 70 5.806 2.700 8.184 1.00 9.76 C ATOM 1121 CG2 VAL A 70 6.390 0.493 7.248 1.00 8.54 C ATOM 0 H VAL A 70 5.385 1.597 4.859 1.00 4.29 H new ATOM 0 HA VAL A 70 7.112 3.519 6.187 1.00 6.26 H new ATOM 0 HB VAL A 70 7.831 2.085 7.793 1.00 8.69 H new ATOM 0 HG11 VAL A 70 5.800 2.289 9.193 1.00 9.76 H new ATOM 0 HG12 VAL A 70 6.057 3.760 8.226 1.00 9.76 H new ATOM 0 HG13 VAL A 70 4.820 2.578 7.737 1.00 9.76 H new ATOM 0 HG21 VAL A 70 6.334 0.070 8.251 1.00 8.54 H new ATOM 0 HG22 VAL A 70 5.407 0.447 6.779 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.103 -0.078 6.653 1.00 8.54 H new ATOM 1131 N LEU A 71 9.104 1.480 5.727 1.00 12.71 N ATOM 1132 CA LEU A 71 10.318 1.070 5.092 1.00 16.06 C ATOM 1133 C LEU A 71 10.589 -0.367 5.375 1.00 18.09 C ATOM 1134 O LEU A 71 10.182 -0.871 6.421 1.00 19.26 O ATOM 1135 CB LEU A 71 11.545 1.890 5.526 1.00 17.10 C ATOM 1136 CG LEU A 71 11.269 3.389 5.731 1.00 19.37 C ATOM 1137 CD1 LEU A 71 12.420 4.214 6.331 1.00 19.57 C ATOM 1138 CD2 LEU A 71 11.056 4.191 4.436 1.00 17.51 C ATOM 0 H LEU A 71 9.179 1.478 6.744 1.00 12.71 H new ATOM 0 HA LEU A 71 10.166 1.239 4.026 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.934 1.474 6.456 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.327 1.777 4.775 1.00 17.10 H new ATOM 0 HG LEU A 71 10.396 3.297 6.378 1.00 19.37 H new ATOM 0 HD11 LEU A 71 12.110 5.254 6.429 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.678 3.818 7.313 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.290 4.155 5.677 1.00 19.57 H new ATOM 0 HD21 LEU A 71 10.868 5.236 4.682 1.00 17.51 H new ATOM 0 HD22 LEU A 71 11.947 4.119 3.813 1.00 17.51 H new ATOM 0 HD23 LEU A 71 10.201 3.787 3.894 1.00 17.51 H new