USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 -93:sc= 1.21 USER MOD Set 1.2: A 57 SER OG : rot -71:sc= 0.301 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -167:sc= 2.34 (180deg=0.702) USER MOD Set 2.2: A 12 THR OG1 : rot -99:sc= 1 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.00785 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.32 (180deg=1.29) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.16) USER MOD Single : A 14 THR OG1 : rot -70:sc= 0.123 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0552 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0451 X(o=-0.045,f=-0.5) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 2.15 (180deg=1.87) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0.0527 (180deg=0.0189) USER MOD Single : A 31 GLN : amide:sc= -0.292 K(o=-0.29,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.23 K(o=1.2,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.838 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.00026) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 87:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0738 X(o=0.074,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.774 -6.939 -5.157 1.00 9.67 N ATOM 2 CA MET A 1 11.698 -6.812 -3.715 1.00 10.38 C ATOM 3 C MET A 1 10.383 -7.327 -3.279 1.00 9.62 C ATOM 4 O MET A 1 9.402 -7.152 -3.938 1.00 9.62 O ATOM 5 CB MET A 1 11.991 -5.384 -3.238 1.00 13.77 C ATOM 6 CG MET A 1 12.369 -5.252 -1.768 1.00 16.29 C ATOM 7 SD MET A 1 12.969 -3.571 -1.344 1.00 17.17 S ATOM 8 CE MET A 1 11.381 -2.696 -1.114 1.00 16.11 C ATOM 0 H1 MET A 1 12.712 -6.630 -5.484 1.00 9.67 H new ATOM 0 H2 MET A 1 11.624 -7.932 -5.426 1.00 9.67 H new ATOM 0 H3 MET A 1 11.041 -6.346 -5.597 1.00 9.67 H new ATOM 0 HA MET A 1 12.479 -7.410 -3.245 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.801 -4.976 -3.842 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.112 -4.768 -3.426 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.503 -5.491 -1.151 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.143 -5.981 -1.528 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.573 -1.656 -0.851 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.806 -2.736 -2.039 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.815 -3.174 -0.314 1.00 16.11 H new ATOM 20 N GLN A 2 10.321 -8.016 -2.119 1.00 9.27 N ATOM 21 CA GLN A 2 8.950 -8.525 -1.667 1.00 9.07 C ATOM 22 C GLN A 2 8.471 -7.783 -0.419 1.00 8.72 C ATOM 23 O GLN A 2 9.315 -7.457 0.418 1.00 8.22 O ATOM 24 CB GLN A 2 9.156 -10.009 -1.366 1.00 14.46 C ATOM 25 CG GLN A 2 7.895 -10.878 -1.181 1.00 17.01 C ATOM 26 CD GLN A 2 8.192 -12.297 -0.721 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.302 -12.526 0.488 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.442 -13.256 -1.595 1.00 19.49 N ATOM 0 H GLN A 2 11.108 -8.233 -1.507 1.00 9.27 H new ATOM 0 HA GLN A 2 8.188 -8.362 -2.430 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.745 -10.438 -2.177 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.756 -10.089 -0.459 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.239 -10.400 -0.454 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.350 -10.918 -2.124 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.352 -13.071 -2.594 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.724 -14.181 -1.270 1.00 19.49 H new ATOM 37 N ILE A 3 7.089 -7.487 -0.327 1.00 5.87 N ATOM 38 CA ILE A 3 6.467 -6.758 0.783 1.00 5.07 C ATOM 39 C ILE A 3 5.145 -7.397 1.157 1.00 4.01 C ATOM 40 O ILE A 3 4.757 -8.371 0.535 1.00 4.61 O ATOM 41 CB ILE A 3 6.217 -5.280 0.600 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.323 -5.017 -0.605 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.603 -4.543 0.407 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.018 -3.601 -0.867 1.00 10.83 C ATOM 0 H ILE A 3 6.420 -7.768 -1.044 1.00 5.87 H new ATOM 0 HA ILE A 3 7.225 -6.832 1.563 1.00 5.07 H new ATOM 0 HB ILE A 3 5.708 -4.900 1.486 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.801 -5.438 -1.490 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.385 -5.553 -0.464 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.432 -3.475 0.274 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.226 -4.704 1.287 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.108 -4.942 -0.473 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.376 -3.523 -1.745 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.507 -3.173 -0.005 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.945 -3.056 -1.046 1.00 10.83 H new ATOM 56 N PHE A 4 4.425 -6.931 2.231 1.00 4.55 N ATOM 57 CA PHE A 4 3.188 -7.512 2.630 1.00 4.68 C ATOM 58 C PHE A 4 2.203 -6.393 2.924 1.00 5.30 C ATOM 59 O PHE A 4 2.514 -5.360 3.540 1.00 5.58 O ATOM 60 CB PHE A 4 3.348 -8.224 3.971 1.00 4.83 C ATOM 61 CG PHE A 4 4.300 -9.433 3.834 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.894 -10.612 3.209 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.584 -9.333 4.404 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.814 -11.697 3.040 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.457 -10.427 4.313 1.00 10.61 C ATOM 66 CZ PHE A 4 6.081 -11.544 3.614 1.00 8.90 C ATOM 0 H PHE A 4 4.722 -6.146 2.811 1.00 4.55 H new ATOM 0 HA PHE A 4 2.863 -8.189 1.840 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.739 -7.529 4.714 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.375 -8.559 4.329 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.880 -10.707 2.850 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.892 -8.427 4.904 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.543 -12.590 2.496 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.424 -10.389 4.793 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.797 -12.345 3.501 1.00 8.90 H new ATOM 76 N VAL A 5 0.954 -6.629 2.527 1.00 4.44 N ATOM 77 CA VAL A 5 -0.113 -5.785 2.961 1.00 3.87 C ATOM 78 C VAL A 5 -1.024 -6.507 3.837 1.00 4.93 C ATOM 79 O VAL A 5 -1.565 -7.569 3.626 1.00 6.84 O ATOM 80 CB VAL A 5 -0.842 -5.314 1.683 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.133 -4.579 2.006 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.082 -4.362 0.880 1.00 9.13 C ATOM 0 H VAL A 5 0.676 -7.394 1.912 1.00 4.44 H new ATOM 0 HA VAL A 5 0.266 -4.939 3.534 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.087 -6.201 1.099 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.614 -4.265 1.080 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.801 -5.242 2.556 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.910 -3.703 2.615 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.433 -4.030 -0.022 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.334 -3.497 1.493 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.995 -4.889 0.603 1.00 9.13 H new ATOM 92 N LYS A 6 -1.372 -5.849 4.942 1.00 6.04 N ATOM 93 CA LYS A 6 -2.400 -6.352 5.807 1.00 6.12 C ATOM 94 C LYS A 6 -3.686 -5.530 5.598 1.00 6.57 C ATOM 95 O LYS A 6 -3.915 -4.360 5.977 1.00 5.76 O ATOM 96 CB LYS A 6 -1.997 -6.222 7.341 1.00 7.45 C ATOM 97 CG LYS A 6 -1.260 -7.394 7.823 1.00 11.12 C ATOM 98 CD LYS A 6 -1.968 -8.725 7.835 1.00 14.54 C ATOM 99 CE LYS A 6 -1.314 -9.799 8.758 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.973 -11.087 8.618 1.00 20.55 N ATOM 0 H LYS A 6 -0.950 -4.971 5.245 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.547 -7.404 5.562 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.387 -5.329 7.480 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.897 -6.089 7.941 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.364 -7.499 7.211 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.929 -7.184 8.840 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.999 -8.571 8.153 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.003 -9.112 6.817 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.257 -9.900 8.510 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.368 -9.471 9.796 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.672 -11.717 9.389 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.004 -10.956 8.661 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.716 -11.511 7.704 1.00 20.55 H new ATOM 114 N THR A 7 -4.706 -6.176 4.950 1.00 7.41 N ATOM 115 CA THR A 7 -6.107 -5.647 4.870 1.00 7.48 C ATOM 116 C THR A 7 -6.706 -5.246 6.259 1.00 8.75 C ATOM 117 O THR A 7 -6.110 -5.604 7.280 1.00 8.58 O ATOM 118 CB THR A 7 -7.081 -6.557 4.084 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.315 -7.784 4.821 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.324 -7.011 2.784 1.00 9.17 C ATOM 0 H THR A 7 -4.582 -7.069 4.473 1.00 7.41 H new ATOM 0 HA THR A 7 -6.003 -4.730 4.290 1.00 7.48 H new ATOM 0 HB THR A 7 -8.012 -6.021 3.899 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.934 -8.354 4.319 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.972 -7.658 2.193 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.053 -6.134 2.196 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.421 -7.556 3.060 1.00 9.17 H new ATOM 128 N LEU A 8 -7.867 -4.595 6.249 1.00 9.84 N ATOM 129 CA LEU A 8 -8.530 -4.230 7.512 1.00 14.15 C ATOM 130 C LEU A 8 -8.902 -5.440 8.320 1.00 17.37 C ATOM 131 O LEU A 8 -8.829 -5.453 9.548 1.00 17.01 O ATOM 132 CB LEU A 8 -9.840 -3.415 7.116 1.00 16.63 C ATOM 133 CG LEU A 8 -10.511 -2.766 8.325 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.569 -1.719 8.957 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.872 -2.081 7.969 1.00 18.59 C ATOM 0 H LEU A 8 -8.364 -4.312 5.405 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.855 -3.640 8.131 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.579 -2.644 6.391 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.548 -4.085 6.628 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.720 -3.568 9.033 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.058 -1.263 9.818 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.648 -2.205 9.278 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.336 -0.949 8.222 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.302 -1.637 8.867 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.704 -1.303 7.225 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.560 -2.825 7.567 1.00 18.59 H new ATOM 147 N THR A 9 -9.264 -6.599 7.669 1.00 18.33 N ATOM 148 CA THR A 9 -9.718 -7.842 8.400 1.00 19.24 C ATOM 149 C THR A 9 -8.617 -8.834 8.570 1.00 19.48 C ATOM 150 O THR A 9 -8.804 -9.970 9.053 1.00 23.14 O ATOM 151 CB THR A 9 -10.887 -8.520 7.759 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.593 -8.996 6.492 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.167 -7.649 7.666 1.00 19.70 C ATOM 0 H THR A 9 -9.251 -6.699 6.654 1.00 18.33 H new ATOM 0 HA THR A 9 -10.033 -7.479 9.378 1.00 19.24 H new ATOM 0 HB THR A 9 -11.095 -9.350 8.434 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.385 -9.432 6.114 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.962 -8.221 7.188 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.482 -7.357 8.668 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.958 -6.756 7.077 1.00 19.70 H new ATOM 161 N GLY A 10 -7.410 -8.302 8.298 1.00 19.43 N ATOM 162 CA GLY A 10 -6.097 -8.874 8.556 1.00 18.74 C ATOM 163 C GLY A 10 -5.615 -9.952 7.613 1.00 17.62 C ATOM 164 O GLY A 10 -4.642 -10.684 7.950 1.00 19.74 O ATOM 0 H GLY A 10 -7.335 -7.386 7.856 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.368 -8.064 8.544 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.100 -9.285 9.565 1.00 18.74 H new ATOM 168 N LYS A 11 -6.214 -10.127 6.459 1.00 13.56 N ATOM 169 CA LYS A 11 -5.679 -11.004 5.417 1.00 11.91 C ATOM 170 C LYS A 11 -4.337 -10.500 4.919 1.00 10.18 C ATOM 171 O LYS A 11 -4.245 -9.375 4.459 1.00 9.10 O ATOM 172 CB LYS A 11 -6.639 -11.017 4.214 1.00 13.43 C ATOM 173 CG LYS A 11 -6.316 -12.038 3.157 1.00 16.69 C ATOM 174 CD LYS A 11 -7.058 -11.833 1.794 1.00 17.92 C ATOM 175 CE LYS A 11 -6.981 -13.111 0.983 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.690 -12.931 -0.309 1.00 21.93 N ATOM 0 H LYS A 11 -7.089 -9.669 6.205 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.566 -12.000 5.846 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.651 -11.199 4.577 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.638 -10.028 3.756 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.241 -12.023 2.975 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.561 -13.028 3.542 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.099 -11.563 1.971 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.605 -11.010 1.241 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.939 -13.376 0.803 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.427 -13.934 1.541 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.605 -13.799 -0.875 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.695 -12.732 -0.129 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.267 -12.136 -0.829 1.00 21.93 H new ATOM 190 N THR A 12 -3.298 -11.404 4.893 1.00 9.63 N ATOM 191 CA THR A 12 -2.001 -11.063 4.316 1.00 9.85 C ATOM 192 C THR A 12 -1.993 -11.138 2.798 1.00 11.66 C ATOM 193 O THR A 12 -2.422 -12.142 2.249 1.00 12.33 O ATOM 194 CB THR A 12 -0.966 -12.049 4.825 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.993 -12.177 6.214 1.00 10.91 O ATOM 196 CG2 THR A 12 0.433 -11.581 4.414 1.00 9.63 C ATOM 0 H THR A 12 -3.358 -12.352 5.265 1.00 9.63 H new ATOM 0 HA THR A 12 -1.780 -10.037 4.611 1.00 9.85 H new ATOM 0 HB THR A 12 -1.204 -13.018 4.386 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.283 -11.628 6.607 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.176 -12.290 4.780 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.492 -11.522 3.327 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.628 -10.598 4.842 1.00 9.63 H new ATOM 204 N ILE A 13 -1.599 -10.088 2.098 1.00 10.42 N ATOM 205 CA ILE A 13 -1.359 -9.995 0.685 1.00 11.84 C ATOM 206 C ILE A 13 0.148 -9.846 0.536 1.00 10.55 C ATOM 207 O ILE A 13 0.789 -8.870 0.897 1.00 11.92 O ATOM 208 CB ILE A 13 -2.019 -8.780 0.013 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.485 -8.537 0.418 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.884 -8.928 -1.501 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.133 -7.217 -0.107 1.00 16.46 C ATOM 0 H ILE A 13 -1.425 -9.196 2.560 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.781 -10.877 0.204 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.492 -7.894 0.367 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.083 -9.377 0.064 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.545 -8.540 1.506 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.348 -8.073 -1.993 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.829 -8.973 -1.770 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.379 -9.844 -1.823 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.164 -7.154 0.241 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.571 -6.362 0.268 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.117 -7.212 -1.197 1.00 16.46 H new ATOM 223 N THR A 14 0.755 -10.899 -0.126 1.00 9.39 N ATOM 224 CA THR A 14 2.217 -10.853 -0.448 1.00 9.63 C ATOM 225 C THR A 14 2.405 -10.307 -1.856 1.00 11.20 C ATOM 226 O THR A 14 1.846 -10.796 -2.842 1.00 11.63 O ATOM 227 CB THR A 14 2.781 -12.267 -0.405 1.00 10.38 C ATOM 228 OG1 THR A 14 2.350 -12.865 0.833 1.00 16.30 O ATOM 229 CG2 THR A 14 4.308 -12.177 -0.418 1.00 11.66 C ATOM 0 H THR A 14 0.274 -11.746 -0.430 1.00 9.39 H new ATOM 0 HA THR A 14 2.728 -10.217 0.275 1.00 9.63 H new ATOM 0 HB THR A 14 2.441 -12.859 -1.255 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.816 -12.439 1.582 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.732 -13.181 -0.388 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.635 -11.672 -1.327 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.647 -11.614 0.452 1.00 11.66 H new ATOM 237 N LEU A 15 3.221 -9.280 -1.984 1.00 8.29 N ATOM 238 CA LEU A 15 3.343 -8.455 -3.185 1.00 9.03 C ATOM 239 C LEU A 15 4.837 -8.258 -3.468 1.00 8.59 C ATOM 240 O LEU A 15 5.657 -8.123 -2.553 1.00 7.79 O ATOM 241 CB LEU A 15 2.721 -7.041 -3.054 1.00 11.08 C ATOM 242 CG LEU A 15 1.172 -6.992 -2.680 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.669 -5.564 -2.341 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.327 -7.513 -3.853 1.00 15.27 C ATOM 0 H LEU A 15 3.842 -8.981 -1.232 1.00 8.29 H new ATOM 0 HA LEU A 15 2.806 -8.978 -3.976 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.276 -6.491 -2.294 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.864 -6.514 -3.997 1.00 11.08 H new ATOM 0 HG LEU A 15 1.061 -7.618 -1.794 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.392 -5.601 -2.096 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.225 -5.175 -1.488 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.820 -4.911 -3.201 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.729 -7.475 -3.586 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.502 -6.892 -4.731 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.608 -8.543 -4.075 1.00 15.27 H new ATOM 256 N GLU A 16 5.125 -8.245 -4.731 1.00 11.04 N ATOM 257 CA GLU A 16 6.454 -8.069 -5.295 1.00 11.50 C ATOM 258 C GLU A 16 6.527 -6.790 -6.019 1.00 10.13 C ATOM 259 O GLU A 16 5.674 -6.420 -6.778 1.00 9.83 O ATOM 260 CB GLU A 16 6.853 -9.168 -6.251 1.00 17.22 C ATOM 261 CG GLU A 16 6.683 -10.571 -5.620 1.00 23.33 C ATOM 262 CD GLU A 16 7.079 -11.583 -6.642 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.161 -11.917 -7.457 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.262 -12.006 -6.696 1.00 28.90 O ATOM 0 H GLU A 16 4.409 -8.362 -5.448 1.00 11.04 H new ATOM 0 HA GLU A 16 7.142 -8.092 -4.450 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.248 -9.101 -7.155 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.891 -9.028 -6.552 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.303 -10.666 -4.728 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.650 -10.727 -5.309 1.00 23.33 H new ATOM 271 N VAL A 17 7.560 -6.027 -5.775 1.00 8.99 N ATOM 272 CA VAL A 17 7.676 -4.594 -6.032 1.00 8.85 C ATOM 273 C VAL A 17 9.158 -4.264 -6.313 1.00 8.04 C ATOM 274 O VAL A 17 9.992 -5.069 -5.913 1.00 8.99 O ATOM 275 CB VAL A 17 7.227 -3.747 -4.853 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.674 -3.605 -4.712 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.856 -4.209 -3.540 1.00 10.54 C ATOM 0 H VAL A 17 8.411 -6.408 -5.361 1.00 8.99 H new ATOM 0 HA VAL A 17 7.032 -4.363 -6.880 1.00 8.85 H new ATOM 0 HB VAL A 17 7.597 -2.747 -5.079 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.442 -2.985 -3.846 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.268 -3.139 -5.610 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.229 -4.591 -4.582 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.506 -3.574 -2.726 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.570 -5.242 -3.343 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.941 -4.140 -3.613 1.00 10.54 H new ATOM 287 N GLU A 18 9.493 -3.162 -6.976 1.00 7.29 N ATOM 288 CA GLU A 18 10.846 -2.689 -6.932 1.00 7.08 C ATOM 289 C GLU A 18 10.866 -1.404 -6.033 1.00 6.45 C ATOM 290 O GLU A 18 9.793 -0.893 -5.715 1.00 5.28 O ATOM 291 CB GLU A 18 11.378 -2.280 -8.324 1.00 10.28 C ATOM 292 CG GLU A 18 11.273 -3.228 -9.538 1.00 12.65 C ATOM 293 CD GLU A 18 12.201 -4.430 -9.328 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.314 -4.330 -8.820 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.807 -5.561 -9.757 1.00 18.17 O ATOM 0 H GLU A 18 8.852 -2.599 -7.535 1.00 7.29 H new ATOM 0 HA GLU A 18 11.473 -3.495 -6.549 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.869 -1.356 -8.599 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.434 -2.038 -8.201 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.244 -3.566 -9.661 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.546 -2.699 -10.451 1.00 12.65 H new ATOM 302 N PRO A 19 12.056 -0.923 -5.599 1.00 7.24 N ATOM 303 CA PRO A 19 12.134 0.183 -4.623 1.00 7.07 C ATOM 304 C PRO A 19 11.617 1.483 -5.158 1.00 6.65 C ATOM 305 O PRO A 19 11.223 2.304 -4.376 1.00 6.37 O ATOM 306 CB PRO A 19 13.598 0.318 -4.233 1.00 7.61 C ATOM 307 CG PRO A 19 14.056 -1.118 -4.468 1.00 8.16 C ATOM 308 CD PRO A 19 13.266 -1.656 -5.634 1.00 7.49 C ATOM 0 HA PRO A 19 11.500 -0.051 -3.768 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.133 1.035 -4.856 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.728 0.635 -3.198 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.125 -1.151 -4.680 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.889 -1.725 -3.578 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.795 -1.508 -6.576 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.087 -2.726 -5.534 1.00 7.49 H new ATOM 316 N SER A 20 11.651 1.630 -6.486 1.00 6.80 N ATOM 317 CA SER A 20 11.158 2.735 -7.251 1.00 6.28 C ATOM 318 C SER A 20 9.801 2.564 -7.759 1.00 8.45 C ATOM 319 O SER A 20 9.313 3.434 -8.480 1.00 7.26 O ATOM 320 CB SER A 20 12.100 2.839 -8.505 1.00 8.57 C ATOM 321 OG SER A 20 12.165 1.534 -9.165 1.00 11.13 O ATOM 0 H SER A 20 12.060 0.912 -7.083 1.00 6.80 H new ATOM 0 HA SER A 20 11.144 3.610 -6.601 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.723 3.592 -9.197 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.097 3.157 -8.201 1.00 8.57 H new ATOM 0 HG SER A 20 12.750 1.593 -9.949 1.00 11.13 H new ATOM 327 N ASP A 21 9.120 1.510 -7.331 1.00 7.50 N ATOM 328 CA ASP A 21 7.667 1.485 -7.458 1.00 7.70 C ATOM 329 C ASP A 21 6.983 2.550 -6.545 1.00 7.08 C ATOM 330 O ASP A 21 7.229 2.695 -5.328 1.00 8.11 O ATOM 331 CB ASP A 21 7.003 0.114 -7.252 1.00 11.00 C ATOM 332 CG ASP A 21 7.276 -0.903 -8.374 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.745 -0.433 -9.449 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.150 -2.140 -8.172 1.00 14.36 O ATOM 0 H ASP A 21 9.534 0.682 -6.904 1.00 7.50 H new ATOM 0 HA ASP A 21 7.503 1.735 -8.506 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.349 -0.305 -6.307 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.926 0.256 -7.162 1.00 11.00 H new ATOM 339 N THR A 22 6.087 3.327 -7.100 1.00 5.37 N ATOM 340 CA THR A 22 5.295 4.263 -6.418 1.00 6.01 C ATOM 341 C THR A 22 4.187 3.526 -5.651 1.00 8.01 C ATOM 342 O THR A 22 3.858 2.362 -6.042 1.00 8.11 O ATOM 343 CB THR A 22 4.611 5.358 -7.258 1.00 8.92 C ATOM 344 OG1 THR A 22 3.810 4.761 -8.271 1.00 10.22 O ATOM 345 CG2 THR A 22 5.703 6.297 -7.864 1.00 9.65 C ATOM 0 H THR A 22 5.896 3.305 -8.102 1.00 5.37 H new ATOM 0 HA THR A 22 6.012 4.783 -5.783 1.00 6.01 H new ATOM 0 HB THR A 22 3.953 5.958 -6.629 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.376 5.462 -8.801 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.225 7.074 -8.460 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.275 6.758 -7.058 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.373 5.715 -8.497 1.00 9.65 H new ATOM 353 N ILE A 23 3.569 4.156 -4.601 1.00 8.32 N ATOM 354 CA ILE A 23 2.559 3.590 -3.736 1.00 9.92 C ATOM 355 C ILE A 23 1.237 3.469 -4.559 1.00 10.01 C ATOM 356 O ILE A 23 0.552 2.472 -4.305 1.00 8.71 O ATOM 357 CB ILE A 23 2.313 4.495 -2.469 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.511 4.798 -1.639 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.278 3.814 -1.555 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.276 3.649 -0.987 1.00 12.30 C ATOM 0 H ILE A 23 3.795 5.118 -4.349 1.00 8.32 H new ATOM 0 HA ILE A 23 2.892 2.614 -3.383 1.00 9.92 H new ATOM 0 HB ILE A 23 1.975 5.448 -2.876 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.214 5.346 -2.266 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.197 5.475 -0.845 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.104 4.435 -0.677 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.342 3.684 -2.099 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.654 2.840 -1.242 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.118 4.047 -0.421 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.612 3.105 -0.316 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.645 2.973 -1.759 1.00 12.30 H new ATOM 372 N GLU A 24 0.938 4.345 -5.570 1.00 9.54 N ATOM 373 CA GLU A 24 -0.065 4.077 -6.529 1.00 11.81 C ATOM 374 C GLU A 24 0.035 2.706 -7.227 1.00 11.14 C ATOM 375 O GLU A 24 -0.930 2.123 -7.597 1.00 10.62 O ATOM 376 CB GLU A 24 0.027 5.231 -7.536 1.00 19.24 C ATOM 377 CG GLU A 24 -1.229 5.244 -8.446 1.00 27.76 C ATOM 378 CD GLU A 24 -1.308 6.387 -9.399 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.320 6.855 -10.021 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.411 6.978 -9.440 1.00 36.51 O ATOM 0 H GLU A 24 1.411 5.239 -5.701 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.032 4.016 -6.030 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.112 6.180 -7.007 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.925 5.123 -8.144 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.256 4.315 -9.015 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.117 5.257 -7.813 1.00 27.76 H new ATOM 387 N ASN A 25 1.292 2.321 -7.434 1.00 9.43 N ATOM 388 CA ASN A 25 1.519 1.087 -8.132 1.00 10.96 C ATOM 389 C ASN A 25 1.397 -0.065 -7.133 1.00 9.68 C ATOM 390 O ASN A 25 0.934 -1.138 -7.489 1.00 9.33 O ATOM 391 CB ASN A 25 2.916 1.191 -8.761 1.00 16.78 C ATOM 392 CG ASN A 25 3.112 0.196 -9.862 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.771 -0.844 -9.742 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.518 0.510 -11.038 1.00 24.70 N ATOM 0 H ASN A 25 2.126 2.828 -7.139 1.00 9.43 H new ATOM 0 HA ASN A 25 0.792 0.899 -8.922 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.063 2.198 -9.152 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.672 1.034 -7.992 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.611 -0.114 -11.839 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.978 1.371 -11.123 1.00 24.70 H new ATOM 401 N VAL A 26 1.749 0.105 -5.860 1.00 6.52 N ATOM 402 CA VAL A 26 1.442 -0.829 -4.856 1.00 5.53 C ATOM 403 C VAL A 26 -0.033 -0.953 -4.698 1.00 4.42 C ATOM 404 O VAL A 26 -0.544 -2.057 -4.728 1.00 3.40 O ATOM 405 CB VAL A 26 2.187 -0.457 -3.588 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.902 -1.533 -2.490 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.674 -0.450 -3.877 1.00 8.12 C ATOM 0 H VAL A 26 2.263 0.919 -5.524 1.00 6.52 H new ATOM 0 HA VAL A 26 1.782 -1.828 -5.131 1.00 5.53 H new ATOM 0 HB VAL A 26 1.861 0.525 -3.245 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.435 -1.271 -1.576 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.832 -1.571 -2.287 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.240 -2.508 -2.840 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.219 -0.184 -2.972 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.985 -1.440 -4.210 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.889 0.279 -4.658 1.00 8.12 H new ATOM 417 N LYS A 27 -0.864 0.120 -4.650 1.00 2.64 N ATOM 418 CA LYS A 27 -2.334 0.144 -4.634 1.00 4.14 C ATOM 419 C LYS A 27 -2.934 -0.548 -5.874 1.00 5.58 C ATOM 420 O LYS A 27 -4.043 -1.106 -5.784 1.00 4.11 O ATOM 421 CB LYS A 27 -2.999 1.520 -4.463 1.00 3.97 C ATOM 422 CG LYS A 27 -2.541 2.254 -3.172 1.00 7.45 C ATOM 423 CD LYS A 27 -3.385 3.475 -2.952 1.00 9.02 C ATOM 424 CE LYS A 27 -3.010 4.110 -1.631 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.768 5.359 -1.404 1.00 15.47 N ATOM 0 H LYS A 27 -0.482 1.065 -4.619 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.564 -0.411 -3.724 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.768 2.140 -5.329 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.082 1.395 -4.440 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.623 1.586 -2.315 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.492 2.537 -3.257 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.236 4.185 -3.765 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.441 3.206 -2.953 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.206 3.410 -0.819 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.941 4.323 -1.617 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.343 5.884 -0.613 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.739 5.944 -2.264 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.756 5.129 -1.175 1.00 15.47 H new ATOM 439 N ALA A 28 -2.225 -0.449 -7.007 1.00 6.61 N ATOM 440 CA ALA A 28 -2.630 -1.185 -8.248 1.00 7.74 C ATOM 441 C ALA A 28 -2.410 -2.709 -8.077 1.00 9.17 C ATOM 442 O ALA A 28 -3.327 -3.514 -8.308 1.00 11.45 O ATOM 443 CB ALA A 28 -1.803 -0.645 -9.438 1.00 7.68 C ATOM 0 H ALA A 28 -1.383 0.117 -7.106 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.691 -1.024 -8.437 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.088 -1.173 -10.348 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.995 0.421 -9.561 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.742 -0.802 -9.245 1.00 7.68 H new ATOM 449 N LYS A 29 -1.254 -3.092 -7.547 1.00 8.96 N ATOM 450 CA LYS A 29 -1.010 -4.476 -7.157 1.00 7.90 C ATOM 451 C LYS A 29 -2.009 -5.177 -6.126 1.00 6.92 C ATOM 452 O LYS A 29 -2.421 -6.345 -6.367 1.00 6.87 O ATOM 453 CB LYS A 29 0.433 -4.611 -6.513 1.00 10.28 C ATOM 454 CG LYS A 29 1.484 -4.382 -7.703 1.00 14.94 C ATOM 455 CD LYS A 29 2.957 -4.535 -7.218 1.00 19.69 C ATOM 456 CE LYS A 29 4.087 -3.977 -8.072 1.00 22.63 C ATOM 457 NZ LYS A 29 4.386 -4.907 -9.174 1.00 24.98 N ATOM 0 H LYS A 29 -0.470 -2.462 -7.377 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.152 -4.991 -8.107 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.576 -3.875 -5.722 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.566 -5.594 -6.061 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.289 -5.098 -8.502 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.343 -3.387 -8.125 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.028 -4.068 -6.236 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.147 -5.599 -7.079 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.806 -3.003 -8.472 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.976 -3.825 -7.460 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.993 -4.433 -9.873 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.878 -5.743 -8.799 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.499 -5.202 -9.629 1.00 24.98 H new ATOM 471 N ILE A 30 -2.400 -4.398 -5.077 1.00 4.57 N ATOM 472 CA ILE A 30 -3.520 -4.707 -4.260 1.00 5.58 C ATOM 473 C ILE A 30 -4.838 -4.821 -5.059 1.00 7.26 C ATOM 474 O ILE A 30 -5.663 -5.745 -4.843 1.00 9.46 O ATOM 475 CB ILE A 30 -3.674 -3.485 -3.276 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.434 -3.381 -2.320 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.063 -3.658 -2.489 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.287 -2.187 -1.379 1.00 2.00 C ATOM 0 H ILE A 30 -1.917 -3.541 -4.806 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.351 -5.667 -3.771 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.700 -2.543 -3.824 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.424 -4.281 -1.705 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.541 -3.412 -2.944 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.197 -2.825 -1.799 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.886 -3.673 -3.203 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.050 -4.593 -1.930 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.370 -2.292 -0.799 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.245 -1.267 -1.962 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.141 -2.149 -0.703 1.00 2.00 H new ATOM 490 N GLN A 31 -5.115 -3.958 -6.031 1.00 7.06 N ATOM 491 CA GLN A 31 -6.371 -3.982 -6.868 1.00 8.67 C ATOM 492 C GLN A 31 -6.548 -5.204 -7.749 1.00 10.90 C ATOM 493 O GLN A 31 -7.695 -5.705 -7.941 1.00 9.63 O ATOM 494 CB GLN A 31 -6.318 -2.805 -7.796 1.00 9.12 C ATOM 495 CG GLN A 31 -7.681 -2.557 -8.536 1.00 10.76 C ATOM 496 CD GLN A 31 -7.738 -1.242 -9.281 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.728 -0.552 -9.144 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.747 -1.032 -10.189 1.00 14.76 N ATOM 0 H GLN A 31 -4.482 -3.200 -6.285 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.198 -3.977 -6.158 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.048 -1.913 -7.230 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.532 -2.964 -8.534 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.856 -3.371 -9.240 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.491 -2.587 -7.807 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.950 -1.668 -10.231 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.801 -0.239 -10.828 1.00 14.76 H new ATOM 507 N ASP A 32 -5.412 -5.711 -8.225 1.00 10.93 N ATOM 508 CA ASP A 32 -5.242 -6.957 -8.934 1.00 14.01 C ATOM 509 C ASP A 32 -5.526 -8.208 -8.148 1.00 14.04 C ATOM 510 O ASP A 32 -6.221 -9.112 -8.662 1.00 13.39 O ATOM 511 CB ASP A 32 -3.726 -6.942 -9.404 1.00 18.01 C ATOM 512 CG ASP A 32 -3.575 -7.962 -10.506 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.174 -7.758 -11.613 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.910 -9.018 -10.279 1.00 26.29 O ATOM 0 H ASP A 32 -4.527 -5.217 -8.111 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.972 -7.003 -9.742 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.446 -5.951 -9.760 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.065 -7.180 -8.570 1.00 18.01 H new ATOM 519 N LYS A 33 -5.073 -8.206 -6.876 1.00 14.22 N ATOM 520 CA LYS A 33 -5.381 -9.332 -6.017 1.00 14.00 C ATOM 521 C LYS A 33 -6.791 -9.247 -5.497 1.00 12.37 C ATOM 522 O LYS A 33 -7.574 -10.192 -5.592 1.00 12.17 O ATOM 523 CB LYS A 33 -4.425 -9.167 -4.756 1.00 18.62 C ATOM 524 CG LYS A 33 -2.934 -9.294 -5.060 1.00 24.00 C ATOM 525 CD LYS A 33 -2.588 -10.745 -5.301 1.00 27.61 C ATOM 526 CE LYS A 33 -1.124 -11.061 -4.945 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.993 -12.499 -5.195 1.00 30.06 N ATOM 0 H LYS A 33 -4.518 -7.464 -6.450 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.258 -10.268 -6.562 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.607 -8.192 -4.305 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.695 -9.917 -4.013 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.679 -8.698 -5.937 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.348 -8.903 -4.228 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.249 -11.378 -4.708 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.767 -10.990 -6.348 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.432 -10.486 -5.560 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.906 -10.816 -3.905 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.022 -12.802 -4.978 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.661 -13.019 -4.591 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.202 -12.698 -6.194 1.00 30.06 H new ATOM 541 N GLU A 34 -7.207 -8.034 -4.924 1.00 10.11 N ATOM 542 CA GLU A 34 -8.437 -7.937 -4.077 1.00 10.07 C ATOM 543 C GLU A 34 -9.570 -7.077 -4.615 1.00 9.32 C ATOM 544 O GLU A 34 -10.704 -7.048 -4.127 1.00 11.61 O ATOM 545 CB GLU A 34 -8.038 -7.428 -2.648 1.00 14.77 C ATOM 546 CG GLU A 34 -7.030 -8.261 -1.865 1.00 18.75 C ATOM 547 CD GLU A 34 -7.655 -9.583 -1.374 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.739 -9.522 -0.689 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.078 -10.673 -1.519 1.00 25.19 O ATOM 0 H GLU A 34 -6.710 -7.151 -5.043 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.843 -8.949 -4.066 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.636 -6.420 -2.749 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.947 -7.350 -2.052 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.166 -8.476 -2.494 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.667 -7.689 -1.011 1.00 18.75 H new ATOM 556 N GLY A 35 -9.413 -6.319 -5.735 1.00 7.22 N ATOM 557 CA GLY A 35 -10.438 -5.573 -6.429 1.00 6.29 C ATOM 558 C GLY A 35 -10.789 -4.246 -5.802 1.00 6.93 C ATOM 559 O GLY A 35 -11.886 -3.776 -6.023 1.00 7.41 O ATOM 0 H GLY A 35 -8.503 -6.223 -6.185 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.110 -5.399 -7.454 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.339 -6.184 -6.482 1.00 6.29 H new ATOM 563 N ILE A 36 -9.874 -3.696 -4.974 1.00 5.86 N ATOM 564 CA ILE A 36 -10.259 -2.439 -4.296 1.00 6.07 C ATOM 565 C ILE A 36 -9.724 -1.318 -5.184 1.00 6.36 C ATOM 566 O ILE A 36 -8.524 -1.338 -5.487 1.00 6.18 O ATOM 567 CB ILE A 36 -9.716 -2.323 -2.865 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.897 -3.614 -1.982 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.327 -1.081 -2.138 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.253 -3.529 -0.636 1.00 9.49 C ATOM 0 H ILE A 36 -8.944 -4.061 -4.770 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.341 -2.394 -4.175 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.640 -2.196 -2.982 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.962 -3.805 -1.852 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.483 -4.468 -2.518 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.928 -1.019 -1.126 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.068 -0.175 -2.686 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.411 -1.182 -2.095 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.424 -4.458 -0.092 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.181 -3.370 -0.755 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.683 -2.697 -0.079 1.00 9.49 H new ATOM 582 N PRO A 37 -10.574 -0.359 -5.680 1.00 8.65 N ATOM 583 CA PRO A 37 -10.047 0.849 -6.293 1.00 9.18 C ATOM 584 C PRO A 37 -9.047 1.662 -5.476 1.00 9.85 C ATOM 585 O PRO A 37 -9.358 1.910 -4.349 1.00 8.51 O ATOM 586 CB PRO A 37 -11.311 1.688 -6.574 1.00 11.42 C ATOM 587 CG PRO A 37 -12.517 0.785 -6.249 1.00 9.27 C ATOM 588 CD PRO A 37 -11.976 -0.226 -5.226 1.00 8.33 C ATOM 0 HA PRO A 37 -9.455 0.573 -7.165 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.324 2.588 -5.959 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.338 2.012 -7.614 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.345 1.362 -5.837 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.890 0.285 -7.142 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.046 0.144 -4.203 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.513 -1.174 -5.259 1.00 8.33 H new ATOM 596 N PRO A 38 -7.834 2.103 -5.900 1.00 8.71 N ATOM 597 CA PRO A 38 -6.764 2.875 -5.177 1.00 9.08 C ATOM 598 C PRO A 38 -7.274 4.054 -4.363 1.00 9.28 C ATOM 599 O PRO A 38 -6.659 4.352 -3.366 1.00 6.50 O ATOM 600 CB PRO A 38 -5.819 3.308 -6.298 1.00 10.31 C ATOM 601 CG PRO A 38 -5.829 2.100 -7.264 1.00 10.81 C ATOM 602 CD PRO A 38 -7.209 1.496 -7.053 1.00 12.00 C ATOM 0 HA PRO A 38 -6.283 2.262 -4.415 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.167 4.217 -6.788 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.817 3.513 -5.922 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.679 2.410 -8.298 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.038 1.389 -7.027 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.825 1.654 -7.938 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.127 0.419 -6.910 1.00 12.00 H new ATOM 610 N ASP A 39 -8.280 4.755 -4.824 1.00 11.20 N ATOM 611 CA ASP A 39 -8.824 5.947 -4.164 1.00 14.96 C ATOM 612 C ASP A 39 -9.593 5.582 -2.918 1.00 13.99 C ATOM 613 O ASP A 39 -9.655 6.415 -2.043 1.00 13.75 O ATOM 614 CB ASP A 39 -9.849 6.748 -4.999 1.00 24.16 C ATOM 615 CG ASP A 39 -9.226 7.528 -6.075 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.623 8.575 -5.771 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.295 7.074 -7.232 1.00 34.22 O ATOM 0 H ASP A 39 -8.765 4.518 -5.689 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.931 6.544 -3.981 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.576 6.059 -5.430 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.399 7.421 -4.341 1.00 24.16 H new ATOM 622 N GLN A 40 -9.958 4.291 -2.781 1.00 11.60 N ATOM 623 CA GLN A 40 -10.545 3.837 -1.493 1.00 10.76 C ATOM 624 C GLN A 40 -9.544 3.239 -0.517 1.00 8.01 C ATOM 625 O GLN A 40 -9.843 2.907 0.658 1.00 8.96 O ATOM 626 CB GLN A 40 -11.548 2.746 -1.836 1.00 11.14 C ATOM 627 CG GLN A 40 -12.708 2.522 -0.801 1.00 14.85 C ATOM 628 CD GLN A 40 -13.574 1.268 -1.170 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.786 0.319 -0.407 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.974 1.247 -2.459 1.00 18.16 N ATOM 0 H GLN A 40 -9.866 3.574 -3.501 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.973 4.712 -1.004 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.992 2.980 -2.803 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.007 1.807 -1.953 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.287 2.394 0.196 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.343 3.407 -0.768 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.785 2.045 -3.065 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.466 0.433 -2.827 1.00 18.16 H new ATOM 639 N GLN A 41 -8.278 3.165 -1.003 1.00 6.52 N ATOM 640 CA GLN A 41 -7.282 2.516 -0.219 1.00 3.87 C ATOM 641 C GLN A 41 -6.519 3.585 0.490 1.00 4.79 C ATOM 642 O GLN A 41 -6.049 4.543 -0.095 1.00 6.34 O ATOM 643 CB GLN A 41 -6.308 1.720 -1.083 1.00 4.20 C ATOM 644 CG GLN A 41 -7.082 0.582 -1.881 1.00 3.20 C ATOM 645 CD GLN A 41 -6.011 -0.156 -2.770 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.916 -0.261 -2.227 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.358 -0.559 -4.019 1.00 7.13 N ATOM 0 H GLN A 41 -7.965 3.539 -1.899 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.764 1.820 0.468 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.804 2.386 -1.783 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.536 1.274 -0.456 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.561 -0.115 -1.194 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.870 1.011 -2.500 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.310 -0.413 -4.356 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.667 -1.008 -4.620 1.00 7.13 H new ATOM 656 N ARG A 42 -6.359 3.343 1.790 1.00 5.73 N ATOM 657 CA ARG A 42 -5.434 4.139 2.631 1.00 6.97 C ATOM 658 C ARG A 42 -4.284 3.228 3.075 1.00 7.15 C ATOM 659 O ARG A 42 -4.558 2.158 3.620 1.00 7.33 O ATOM 660 CB ARG A 42 -6.137 4.857 3.793 1.00 13.23 C ATOM 661 CG ARG A 42 -5.218 5.690 4.676 1.00 21.27 C ATOM 662 CD ARG A 42 -5.900 6.550 5.795 1.00 26.14 C ATOM 663 NE ARG A 42 -6.666 7.662 5.194 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.280 8.580 5.894 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.389 8.511 7.229 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.804 9.612 5.220 1.00 36.39 N ATOM 0 H ARG A 42 -6.852 2.606 2.294 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.025 4.959 2.040 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.913 5.506 3.385 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.637 4.113 4.413 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.504 5.018 5.152 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.646 6.360 4.034 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.563 5.923 6.391 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.142 6.946 6.471 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.719 7.716 4.177 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.985 7.722 7.734 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.876 9.248 7.740 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.714 9.656 4.205 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.293 10.353 5.722 1.00 36.39 H new ATOM 680 N LEU A 43 -3.022 3.600 2.842 1.00 4.65 N ATOM 681 CA LEU A 43 -1.856 2.777 3.143 1.00 3.51 C ATOM 682 C LEU A 43 -1.064 3.456 4.212 1.00 5.56 C ATOM 683 O LEU A 43 -0.629 4.634 4.071 1.00 4.19 O ATOM 684 CB LEU A 43 -1.003 2.397 1.961 1.00 3.74 C ATOM 685 CG LEU A 43 -1.537 1.270 1.158 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.649 1.142 -0.043 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.671 -0.004 1.993 1.00 6.41 C ATOM 0 H LEU A 43 -2.782 4.502 2.430 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.230 1.813 3.489 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.891 3.267 1.314 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.007 2.134 2.317 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.556 1.457 0.821 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.001 0.322 -0.670 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.672 2.071 -0.613 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.372 0.940 0.280 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.065 -0.807 1.370 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.693 -0.291 2.379 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.351 0.177 2.826 1.00 6.41 H new ATOM 699 N ILE A 44 -0.838 2.761 5.367 1.00 4.58 N ATOM 700 CA ILE A 44 -0.170 3.309 6.539 1.00 5.55 C ATOM 701 C ILE A 44 1.029 2.438 6.913 1.00 5.46 C ATOM 702 O ILE A 44 0.913 1.194 7.062 1.00 6.04 O ATOM 703 CB ILE A 44 -1.052 3.481 7.748 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.217 4.477 7.352 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.248 4.029 8.894 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.330 4.742 8.390 1.00 13.90 C ATOM 0 H ILE A 44 -1.128 1.791 5.489 1.00 4.58 H new ATOM 0 HA ILE A 44 0.143 4.311 6.247 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.470 2.525 8.064 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.764 5.435 7.096 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.689 4.095 6.447 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.892 4.151 9.765 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.560 3.338 9.134 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.171 4.996 8.615 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.055 5.443 7.976 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.830 3.805 8.634 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.891 5.165 9.294 1.00 13.90 H new ATOM 718 N PHE A 45 2.157 3.084 6.986 1.00 6.75 N ATOM 719 CA PHE A 45 3.374 2.443 7.446 1.00 4.70 C ATOM 720 C PHE A 45 4.231 3.381 8.215 1.00 6.34 C ATOM 721 O PHE A 45 4.268 4.535 7.893 1.00 5.45 O ATOM 722 CB PHE A 45 4.177 1.951 6.211 1.00 5.51 C ATOM 723 CG PHE A 45 5.518 1.262 6.551 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.544 -0.054 7.112 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.780 1.879 6.407 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.702 -0.639 7.613 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.965 1.293 6.774 1.00 6.64 C ATOM 728 CZ PHE A 45 7.942 -0.060 7.263 1.00 6.84 C ATOM 0 H PHE A 45 2.268 4.066 6.732 1.00 6.75 H new ATOM 0 HA PHE A 45 3.095 1.614 8.097 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.558 1.254 5.645 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.375 2.802 5.560 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.624 -0.618 7.148 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.814 2.872 5.983 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.655 -1.510 8.250 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.896 1.836 6.697 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.858 -0.624 7.361 1.00 6.84 H new ATOM 738 N ALA A 46 4.861 2.914 9.294 1.00 6.53 N ATOM 739 CA ALA A 46 5.693 3.627 10.255 1.00 7.15 C ATOM 740 C ALA A 46 4.987 4.867 10.891 1.00 9.00 C ATOM 741 O ALA A 46 5.628 5.892 11.163 1.00 11.15 O ATOM 742 CB ALA A 46 6.994 3.991 9.574 1.00 8.99 C ATOM 0 H ALA A 46 4.792 1.926 9.538 1.00 6.53 H new ATOM 0 HA ALA A 46 5.889 2.970 11.102 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.634 4.526 10.275 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.498 3.083 9.243 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.788 4.626 8.712 1.00 8.99 H new ATOM 748 N GLY A 47 3.647 4.754 11.052 1.00 9.35 N ATOM 749 CA GLY A 47 2.863 5.872 11.518 1.00 11.68 C ATOM 750 C GLY A 47 2.547 6.951 10.516 1.00 11.14 C ATOM 751 O GLY A 47 1.824 7.923 10.861 1.00 13.93 O ATOM 0 H GLY A 47 3.113 3.905 10.864 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.921 5.486 11.908 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.391 6.330 12.354 1.00 11.68 H new ATOM 755 N LYS A 48 2.980 6.844 9.284 1.00 10.47 N ATOM 756 CA LYS A 48 2.729 7.793 8.221 1.00 8.82 C ATOM 757 C LYS A 48 1.647 7.200 7.265 1.00 7.68 C ATOM 758 O LYS A 48 1.765 6.040 6.870 1.00 6.47 O ATOM 759 CB LYS A 48 3.953 7.998 7.268 1.00 9.74 C ATOM 760 CG LYS A 48 5.195 8.298 8.118 1.00 14.14 C ATOM 761 CD LYS A 48 6.403 8.527 7.306 1.00 16.32 C ATOM 762 CE LYS A 48 7.621 8.785 8.233 1.00 20.04 C ATOM 763 NZ LYS A 48 8.782 8.903 7.426 1.00 23.92 N ATOM 0 H LYS A 48 3.546 6.053 8.977 1.00 10.47 H new ATOM 0 HA LYS A 48 2.459 8.723 8.721 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.115 7.105 6.664 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.761 8.819 6.577 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.005 9.178 8.733 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.373 7.466 8.799 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.595 7.662 6.671 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.251 9.380 6.645 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.469 9.695 8.814 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.736 7.967 8.945 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.610 9.076 8.032 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.923 8.023 6.890 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.665 9.696 6.764 1.00 23.92 H new ATOM 777 N GLN A 49 0.694 8.071 6.909 1.00 8.89 N ATOM 778 CA GLN A 49 -0.098 7.841 5.709 1.00 7.18 C ATOM 779 C GLN A 49 0.746 7.960 4.442 1.00 8.23 C ATOM 780 O GLN A 49 1.258 8.995 4.055 1.00 9.70 O ATOM 781 CB GLN A 49 -1.294 8.762 5.628 1.00 11.67 C ATOM 782 CG GLN A 49 -2.330 8.610 6.801 1.00 15.82 C ATOM 783 CD GLN A 49 -3.456 9.587 6.650 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.549 10.393 5.728 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.337 9.572 7.660 1.00 20.67 N ATOM 0 H GLN A 49 0.461 8.920 7.425 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.468 6.818 5.781 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.939 9.793 5.608 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.808 8.583 4.684 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.724 7.594 6.814 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.830 8.770 7.756 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.237 8.892 8.414 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.107 10.240 7.675 1.00 20.67 H new ATOM 794 N LEU A 50 0.849 6.912 3.685 1.00 6.51 N ATOM 795 CA LEU A 50 1.650 6.814 2.510 1.00 7.41 C ATOM 796 C LEU A 50 0.929 7.380 1.209 1.00 8.27 C ATOM 797 O LEU A 50 -0.060 6.805 0.768 1.00 8.34 O ATOM 798 CB LEU A 50 1.964 5.288 2.213 1.00 7.13 C ATOM 799 CG LEU A 50 2.787 4.518 3.311 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.085 3.108 2.835 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.161 5.178 3.745 1.00 9.11 C ATOM 0 H LEU A 50 0.343 6.050 3.886 1.00 6.51 H new ATOM 0 HA LEU A 50 2.545 7.403 2.708 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.018 4.767 2.066 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.510 5.228 1.272 1.00 7.13 H new ATOM 0 HG LEU A 50 2.143 4.546 4.190 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.655 2.579 3.599 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.149 2.581 2.651 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.665 3.150 1.913 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.638 4.559 4.505 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.817 5.257 2.878 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.975 6.172 4.151 1.00 9.11 H new ATOM 813 N GLU A 51 1.425 8.495 0.632 1.00 9.43 N ATOM 814 CA GLU A 51 0.764 9.104 -0.455 1.00 11.90 C ATOM 815 C GLU A 51 1.108 8.339 -1.690 1.00 11.49 C ATOM 816 O GLU A 51 2.175 7.755 -1.808 1.00 9.88 O ATOM 817 CB GLU A 51 1.039 10.599 -0.679 1.00 16.56 C ATOM 818 CG GLU A 51 2.415 11.080 -1.207 1.00 26.06 C ATOM 819 CD GLU A 51 2.447 12.580 -1.382 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.474 13.258 -0.984 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.466 13.115 -1.936 1.00 33.44 O ATOM 0 H GLU A 51 2.282 8.963 0.927 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.298 9.069 -0.210 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.283 10.963 -1.375 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.866 11.103 0.272 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.199 10.777 -0.513 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.629 10.597 -2.160 1.00 26.06 H new ATOM 828 N ASP A 52 0.220 8.397 -2.678 1.00 12.71 N ATOM 829 CA ASP A 52 0.199 7.681 -3.953 1.00 16.56 C ATOM 830 C ASP A 52 1.416 7.892 -4.817 1.00 15.83 C ATOM 831 O ASP A 52 2.002 6.992 -5.444 1.00 17.21 O ATOM 832 CB ASP A 52 -1.030 8.106 -4.713 1.00 21.05 C ATOM 833 CG ASP A 52 -2.237 7.992 -3.793 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.735 6.867 -3.529 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.696 9.001 -3.225 1.00 25.82 O ATOM 0 H ASP A 52 -0.590 9.012 -2.598 1.00 12.71 H new ATOM 0 HA ASP A 52 0.192 6.618 -3.713 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.920 9.131 -5.066 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.166 7.478 -5.594 1.00 21.05 H new ATOM 840 N GLY A 53 1.807 9.215 -4.899 1.00 15.00 N ATOM 841 CA GLY A 53 2.818 9.645 -5.824 1.00 11.77 C ATOM 842 C GLY A 53 4.159 9.697 -5.181 1.00 11.10 C ATOM 843 O GLY A 53 4.816 10.733 -5.310 1.00 11.25 O ATOM 0 H GLY A 53 1.416 9.961 -4.324 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.847 8.964 -6.675 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.561 10.630 -6.213 1.00 11.77 H new ATOM 847 N ARG A 54 4.568 8.648 -4.453 1.00 8.53 N ATOM 848 CA ARG A 54 5.856 8.623 -3.792 1.00 9.05 C ATOM 849 C ARG A 54 6.181 7.189 -3.877 1.00 8.96 C ATOM 850 O ARG A 54 5.375 6.324 -4.162 1.00 11.60 O ATOM 851 CB ARG A 54 5.672 9.099 -2.340 1.00 7.97 C ATOM 852 CG ARG A 54 6.961 9.297 -1.507 1.00 9.62 C ATOM 853 CD ARG A 54 7.559 10.692 -1.796 1.00 12.20 C ATOM 854 NE ARG A 54 6.514 11.723 -1.420 1.00 18.23 N ATOM 855 CZ ARG A 54 6.234 12.087 -0.157 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.822 11.526 0.932 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.208 12.864 0.055 1.00 23.38 N ATOM 0 H ARG A 54 4.011 7.805 -4.314 1.00 8.53 H new ATOM 0 HA ARG A 54 6.633 9.260 -4.215 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.129 10.044 -2.358 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.039 8.378 -1.823 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.737 9.200 -0.445 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.687 8.522 -1.752 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.472 10.844 -1.221 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.827 10.784 -2.849 1.00 12.20 H new ATOM 0 HE ARG A 54 5.990 12.169 -2.173 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.516 10.788 0.813 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.570 11.843 1.868 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.638 13.182 -0.729 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.975 13.154 1.005 1.00 23.38 H new ATOM 871 N THR A 55 7.480 6.860 -3.864 1.00 9.05 N ATOM 872 CA THR A 55 8.050 5.499 -3.899 1.00 9.03 C ATOM 873 C THR A 55 8.385 4.847 -2.622 1.00 8.15 C ATOM 874 O THR A 55 8.438 5.430 -1.523 1.00 5.91 O ATOM 875 CB THR A 55 9.208 5.348 -4.901 1.00 11.15 C ATOM 876 OG1 THR A 55 10.401 5.855 -4.356 1.00 11.95 O ATOM 877 CG2 THR A 55 8.872 6.022 -6.264 1.00 11.71 C ATOM 0 H THR A 55 8.206 7.575 -3.827 1.00 9.05 H new ATOM 0 HA THR A 55 7.181 4.942 -4.250 1.00 9.03 H new ATOM 0 HB THR A 55 9.351 4.285 -5.096 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.507 6.793 -4.618 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.711 5.897 -6.948 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.983 5.557 -6.691 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.686 7.085 -6.108 1.00 11.71 H new ATOM 885 N LEU A 56 8.547 3.486 -2.678 1.00 6.91 N ATOM 886 CA LEU A 56 9.020 2.682 -1.561 1.00 8.29 C ATOM 887 C LEU A 56 10.336 3.134 -0.943 1.00 8.05 C ATOM 888 O LEU A 56 10.408 3.439 0.257 1.00 10.17 O ATOM 889 CB LEU A 56 9.111 1.195 -1.842 1.00 6.60 C ATOM 890 CG LEU A 56 7.779 0.524 -2.181 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.996 -0.895 -2.629 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.717 0.611 -1.054 1.00 8.64 C ATOM 0 H LEU A 56 8.345 2.938 -3.515 1.00 6.91 H new ATOM 0 HA LEU A 56 8.225 2.856 -0.836 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.802 1.038 -2.670 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.540 0.700 -0.970 1.00 6.60 H new ATOM 0 HG LEU A 56 7.358 1.095 -3.009 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.035 -1.353 -2.865 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.630 -0.904 -3.516 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.480 -1.458 -1.831 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.803 0.111 -1.376 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.099 0.126 -0.156 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.501 1.657 -0.837 1.00 8.64 H new ATOM 904 N SER A 57 11.333 3.370 -1.810 1.00 8.92 N ATOM 905 CA SER A 57 12.689 3.862 -1.434 1.00 9.00 C ATOM 906 C SER A 57 12.647 5.274 -0.760 1.00 9.44 C ATOM 907 O SER A 57 13.238 5.506 0.299 1.00 10.91 O ATOM 908 CB SER A 57 13.707 3.899 -2.642 1.00 10.32 C ATOM 909 OG SER A 57 13.190 4.530 -3.776 1.00 13.59 O ATOM 0 H SER A 57 11.228 3.225 -2.814 1.00 8.92 H new ATOM 0 HA SER A 57 13.049 3.129 -0.712 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.615 4.415 -2.329 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.993 2.879 -2.900 1.00 10.32 H new ATOM 0 HG SER A 57 12.504 3.961 -4.183 1.00 13.59 H new ATOM 915 N ASP A 58 11.843 6.249 -1.249 1.00 9.11 N ATOM 916 CA ASP A 58 11.627 7.562 -0.637 1.00 7.91 C ATOM 917 C ASP A 58 10.960 7.562 0.702 1.00 9.12 C ATOM 918 O ASP A 58 10.996 8.602 1.398 1.00 8.61 O ATOM 919 CB ASP A 58 10.745 8.522 -1.548 1.00 8.41 C ATOM 920 CG ASP A 58 11.213 8.644 -3.059 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.438 8.979 -3.156 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.468 8.418 -4.045 1.00 11.70 O ATOM 0 H ASP A 58 11.313 6.128 -2.112 1.00 9.11 H new ATOM 0 HA ASP A 58 12.652 7.914 -0.522 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.715 8.165 -1.532 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.745 9.517 -1.104 1.00 8.41 H new ATOM 927 N TYR A 59 10.286 6.438 1.082 1.00 7.97 N ATOM 928 CA TYR A 59 9.601 6.357 2.326 1.00 8.45 C ATOM 929 C TYR A 59 10.411 5.535 3.380 1.00 10.98 C ATOM 930 O TYR A 59 9.988 5.202 4.539 1.00 12.95 O ATOM 931 CB TYR A 59 8.162 5.704 2.166 1.00 7.94 C ATOM 932 CG TYR A 59 7.096 6.780 2.084 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.040 7.785 3.053 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.209 6.752 1.026 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.953 8.724 2.977 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.163 7.645 0.989 1.00 6.52 C ATOM 937 CZ TYR A 59 4.977 8.640 1.991 1.00 6.76 C ATOM 938 OH TYR A 59 3.816 9.448 1.852 1.00 7.63 O ATOM 0 H TYR A 59 10.226 5.593 0.514 1.00 7.97 H new ATOM 0 HA TYR A 59 9.492 7.383 2.677 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.134 5.087 1.268 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.959 5.046 3.011 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.786 7.854 3.831 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.336 6.032 0.231 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.894 9.517 3.707 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.459 7.590 0.172 1.00 6.52 H new ATOM 0 HH TYR A 59 4.060 10.302 1.438 1.00 7.63 H new ATOM 948 N ASN A 60 11.660 5.062 3.047 1.00 12.38 N ATOM 949 CA ASN A 60 12.571 4.210 3.851 1.00 13.94 C ATOM 950 C ASN A 60 12.016 2.797 4.221 1.00 14.16 C ATOM 951 O ASN A 60 11.873 2.451 5.380 1.00 14.26 O ATOM 952 CB ASN A 60 13.058 4.946 5.124 1.00 19.23 C ATOM 953 CG ASN A 60 13.529 6.306 4.816 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.864 7.353 5.113 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.767 6.403 4.174 1.00 24.09 N ATOM 0 H ASN A 60 12.073 5.290 2.143 1.00 12.38 H new ATOM 0 HA ASN A 60 13.414 4.023 3.186 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.246 4.997 5.849 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.864 4.377 5.588 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.149 7.319 3.938 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.289 5.558 3.942 1.00 24.09 H new ATOM 962 N ILE A 61 11.537 2.069 3.182 1.00 11.08 N ATOM 963 CA ILE A 61 10.827 0.807 3.245 1.00 11.78 C ATOM 964 C ILE A 61 11.749 -0.313 2.597 1.00 13.74 C ATOM 965 O ILE A 61 11.992 -0.377 1.401 1.00 14.60 O ATOM 966 CB ILE A 61 9.480 0.911 2.496 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.504 1.884 3.246 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.797 -0.525 2.395 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.163 2.127 2.577 1.00 11.42 C ATOM 0 H ILE A 61 11.655 2.387 2.220 1.00 11.08 H new ATOM 0 HA ILE A 61 10.608 0.549 4.281 1.00 11.78 H new ATOM 0 HB ILE A 61 9.679 1.298 1.497 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.323 1.487 4.245 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.005 2.844 3.371 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.848 -0.440 1.865 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.456 -1.204 1.853 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.619 -0.915 3.397 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.573 2.814 3.184 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.322 2.560 1.590 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.630 1.182 2.477 1.00 11.42 H new ATOM 981 N GLN A 62 12.219 -1.282 3.450 1.00 13.97 N ATOM 982 CA GLN A 62 12.954 -2.450 3.059 1.00 15.52 C ATOM 983 C GLN A 62 12.082 -3.632 2.606 1.00 13.94 C ATOM 984 O GLN A 62 10.870 -3.732 2.945 1.00 12.15 O ATOM 985 CB GLN A 62 14.027 -2.858 4.070 1.00 19.53 C ATOM 986 CG GLN A 62 13.486 -3.352 5.489 1.00 26.38 C ATOM 987 CD GLN A 62 14.703 -3.784 6.246 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.693 -4.909 6.750 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.730 -2.950 6.343 1.00 32.71 N ATOM 0 H GLN A 62 12.070 -1.232 4.458 1.00 13.97 H new ATOM 0 HA GLN A 62 13.486 -2.139 2.160 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.628 -3.655 3.633 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.691 -2.009 4.230 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.962 -2.551 6.011 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.780 -4.175 5.376 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.683 -2.030 5.905 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.567 -3.229 6.855 1.00 32.71 H new ATOM 998 N LYS A 63 12.684 -4.682 1.929 1.00 11.73 N ATOM 999 CA LYS A 63 12.152 -6.022 1.869 1.00 11.97 C ATOM 1000 C LYS A 63 11.427 -6.533 3.129 1.00 10.41 C ATOM 1001 O LYS A 63 11.839 -6.203 4.261 1.00 9.59 O ATOM 1002 CB LYS A 63 13.217 -7.067 1.450 1.00 13.73 C ATOM 1003 CG LYS A 63 14.302 -7.435 2.489 1.00 16.98 C ATOM 1004 CD LYS A 63 15.421 -8.385 2.071 1.00 20.19 C ATOM 1005 CE LYS A 63 16.531 -8.669 3.106 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.972 -9.208 4.360 1.00 25.97 N ATOM 0 H LYS A 63 13.560 -4.575 1.418 1.00 11.73 H new ATOM 0 HA LYS A 63 11.387 -5.921 1.099 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.697 -7.983 1.167 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.719 -6.696 0.556 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.764 -6.508 2.828 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.800 -7.874 3.351 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.969 -9.337 1.791 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.891 -7.980 1.175 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.246 -9.379 2.690 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.079 -7.750 3.315 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.743 -9.388 5.034 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.308 -8.519 4.769 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.470 -10.097 4.162 1.00 25.97 H new ATOM 1020 N GLU A 64 10.338 -7.317 2.926 1.00 10.04 N ATOM 1021 CA GLU A 64 9.538 -7.967 3.939 1.00 10.94 C ATOM 1022 C GLU A 64 9.102 -7.048 5.056 1.00 9.74 C ATOM 1023 O GLU A 64 9.111 -7.412 6.249 1.00 9.42 O ATOM 1024 CB GLU A 64 10.114 -9.322 4.498 1.00 18.31 C ATOM 1025 CG GLU A 64 10.304 -10.282 3.300 1.00 24.16 C ATOM 1026 CD GLU A 64 10.979 -11.623 3.627 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.530 -12.235 4.605 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.878 -12.103 2.924 1.00 31.72 O ATOM 0 H GLU A 64 9.993 -7.510 1.986 1.00 10.04 H new ATOM 0 HA GLU A 64 8.644 -8.247 3.382 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.063 -9.153 5.007 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.432 -9.754 5.230 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.327 -10.485 2.861 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.896 -9.773 2.539 1.00 24.16 H new ATOM 1035 N SER A 65 8.604 -5.845 4.716 1.00 6.85 N ATOM 1036 CA SER A 65 7.903 -4.970 5.656 1.00 6.90 C ATOM 1037 C SER A 65 6.404 -5.109 5.560 1.00 4.72 C ATOM 1038 O SER A 65 5.916 -5.235 4.445 1.00 3.91 O ATOM 1039 CB SER A 65 8.141 -3.451 5.277 1.00 7.28 C ATOM 1040 OG SER A 65 9.571 -3.094 5.143 1.00 10.56 O ATOM 0 H SER A 65 8.680 -5.457 3.776 1.00 6.85 H new ATOM 0 HA SER A 65 8.282 -5.250 6.639 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.631 -3.235 4.338 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.687 -2.819 6.040 1.00 7.28 H new ATOM 0 HG SER A 65 9.872 -3.284 4.230 1.00 10.56 H new ATOM 1046 N THR A 66 5.645 -5.077 6.668 1.00 4.48 N ATOM 1047 CA THR A 66 4.162 -5.102 6.556 1.00 3.80 C ATOM 1048 C THR A 66 3.619 -3.668 6.395 1.00 4.60 C ATOM 1049 O THR A 66 3.849 -2.769 7.160 1.00 5.33 O ATOM 1050 CB THR A 66 3.533 -5.721 7.775 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.210 -6.896 8.094 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.021 -6.025 7.542 1.00 3.40 C ATOM 0 H THR A 66 6.008 -5.035 7.620 1.00 4.48 H new ATOM 0 HA THR A 66 3.908 -5.702 5.682 1.00 3.80 H new ATOM 0 HB THR A 66 3.607 -5.013 8.600 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.805 -7.302 8.889 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.597 -6.471 8.441 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.494 -5.098 7.314 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.914 -6.718 6.708 1.00 3.40 H new ATOM 1060 N LEU A 67 2.816 -3.344 5.333 1.00 4.17 N ATOM 1061 CA LEU A 67 2.056 -2.130 5.255 1.00 3.85 C ATOM 1062 C LEU A 67 0.580 -2.416 5.726 1.00 3.80 C ATOM 1063 O LEU A 67 0.033 -3.517 5.527 1.00 5.54 O ATOM 1064 CB LEU A 67 1.997 -1.734 3.775 1.00 7.18 C ATOM 1065 CG LEU A 67 3.343 -1.215 3.014 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.687 -1.932 3.427 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.092 -1.289 1.512 1.00 11.66 C ATOM 0 H LEU A 67 2.702 -3.948 4.519 1.00 4.17 H new ATOM 0 HA LEU A 67 2.506 -1.353 5.873 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.626 -2.598 3.223 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.248 -0.948 3.680 1.00 7.18 H new ATOM 0 HG LEU A 67 3.516 -0.188 3.335 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.515 -1.508 2.859 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.865 -1.786 4.492 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.610 -2.998 3.215 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.978 -0.947 0.978 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.873 -2.319 1.230 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.245 -0.654 1.253 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.050 -1.453 6.377 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.380 -1.507 6.875 1.00 4.17 C ATOM 1081 C HIS A 68 -2.317 -0.947 5.829 1.00 5.32 C ATOM 1082 O HIS A 68 -2.185 0.144 5.303 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.523 -0.706 8.233 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.546 -1.204 9.283 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.762 -0.688 9.466 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.638 -2.281 10.088 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.378 -1.562 10.349 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.556 -2.498 10.787 1.00 16.30 N ATOM 0 H HIS A 68 0.400 -0.560 6.576 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.636 -2.545 7.085 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.351 0.355 8.050 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.542 -0.804 8.608 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.164 0.147 9.040 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.520 -2.898 10.182 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.414 -1.486 10.645 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.428 -1.614 5.543 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.422 -1.108 4.601 1.00 3.97 C ATOM 1098 C LEU A 69 -5.745 -0.866 5.344 1.00 5.07 C ATOM 1099 O LEU A 69 -6.218 -1.749 6.057 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.457 -2.141 3.420 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.706 -2.035 2.467 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.706 -0.774 1.608 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.009 -3.289 1.610 1.00 9.96 C ATOM 0 H LEU A 69 -3.666 -2.517 5.954 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.189 -0.135 4.169 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.554 -2.015 2.823 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.425 -3.147 3.838 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.533 -1.965 3.174 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.594 -0.765 0.976 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.710 0.105 2.252 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.814 -0.760 0.982 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.888 -3.104 0.993 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.155 -3.506 0.969 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.197 -4.140 2.264 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.227 0.342 5.283 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.503 0.712 5.839 1.00 6.26 C ATOM 1117 C VAL A 70 -8.261 1.361 4.708 1.00 9.22 C ATOM 1118 O VAL A 70 -7.650 1.672 3.676 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.463 1.643 7.057 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.731 0.844 8.194 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.709 2.974 6.804 1.00 8.54 C ATOM 0 H VAL A 70 -5.736 1.116 4.836 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.975 -0.188 6.233 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.484 1.927 7.314 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.672 1.460 9.091 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.287 -0.067 8.415 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.725 0.584 7.866 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.724 3.579 7.711 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.677 2.760 6.527 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.196 3.520 5.996 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.621 1.440 4.784 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.449 1.697 3.644 1.00 16.06 C ATOM 1133 C LEU A 71 -11.213 2.962 3.906 1.00 18.09 C ATOM 1134 O LEU A 71 -11.987 3.135 4.866 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.404 0.596 3.265 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.756 -0.738 2.832 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.861 -1.752 2.456 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.674 -0.594 1.753 1.00 19.57 C ATOM 0 H LEU A 71 -10.141 1.322 5.653 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.777 1.777 2.789 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.059 0.401 4.114 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.035 0.953 2.451 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.204 -1.126 3.688 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.403 -2.693 2.151 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.505 -1.925 3.318 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.455 -1.354 1.634 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.272 -1.577 1.508 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.109 -0.146 0.859 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.872 0.044 2.125 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.015 3.872 2.943 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.592 5.185 3.016 1.00 25.83 C ATOM 1152 C ARG A 72 -12.927 5.245 2.232 1.00 27.74 C ATOM 1153 O ARG A 72 -12.946 5.225 0.978 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.641 6.228 2.426 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.989 7.609 2.834 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.149 8.538 1.968 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.039 9.873 2.731 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.151 10.813 2.393 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.876 10.943 1.072 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.834 11.809 3.181 1.00 35.02 N ATOM 0 H ARG A 72 -10.454 3.704 2.108 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.773 5.402 4.069 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.622 6.005 2.742 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.660 6.158 1.338 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.052 7.800 2.690 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.777 7.767 3.892 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.162 8.112 1.788 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.615 8.686 0.994 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.664 10.044 3.519 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.339 10.339 0.393 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.206 11.645 0.757 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.271 11.892 4.099 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.150 12.502 2.877 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.007 5.368 2.932 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.232 5.734 2.208 1.00 30.76 C ATOM 1176 C LEU A 73 -15.849 7.032 2.678 1.00 32.18 C ATOM 1177 O LEU A 73 -15.390 7.681 3.601 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.296 4.568 2.312 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.015 3.303 1.489 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.846 2.114 2.102 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.349 3.541 0.034 1.00 29.11 C ATOM 0 H LEU A 73 -14.093 5.236 3.940 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.937 5.887 1.170 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.384 4.280 3.360 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.265 4.964 2.008 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.957 3.046 1.531 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.659 1.206 1.529 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.547 1.958 3.138 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.908 2.355 2.063 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.145 2.636 -0.539 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.404 3.800 -0.060 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.739 4.359 -0.350 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.928 7.516 1.916 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.437 8.835 2.101 1.00 35.33 C ATOM 1195 C ARG A 74 -18.007 9.118 3.453 1.00 36.22 C ATOM 1196 O ARG A 74 -17.909 10.223 3.985 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.468 9.166 1.014 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.908 10.658 0.895 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.841 11.688 0.431 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.445 11.245 -0.957 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.388 11.673 -1.638 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.520 12.564 -1.169 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.037 11.091 -2.764 1.00 41.93 N ATOM 0 H ARG A 74 -17.409 6.974 1.198 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.566 9.485 2.018 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.060 8.854 0.052 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.358 8.562 1.194 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -19.746 10.707 0.200 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.282 10.977 1.868 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.247 12.699 0.421 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.982 11.696 1.102 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.043 10.555 -1.413 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.647 12.958 -0.237 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.727 12.853 -1.741 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.578 10.304 -3.121 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.224 11.427 -3.280 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.609 8.141 4.094 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.074 8.175 5.476 1.00 36.07 C ATOM 1219 C GLY A 75 -17.960 7.714 6.400 1.00 36.16 C ATOM 1220 O GLY A 75 -18.187 7.660 7.609 1.00 36.26 O ATOM 0 H GLY A 75 -18.802 7.246 3.644 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.385 9.186 5.741 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.946 7.532 5.593 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.742 7.346 5.950 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.711 6.725 6.745 1.00 36.19 C ATOM 1226 C GLY A 76 -15.077 5.502 6.184 1.00 36.20 C ATOM 1227 O GLY A 76 -13.920 5.567 5.689 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.730 4.423 6.108 1.00 0.00 O ATOM 0 H GLY A 76 -16.458 7.488 4.981 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.928 7.463 6.922 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.137 6.472 7.716 1.00 36.19 H new TER 1232 GLY A 76