USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 598 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 17 THR OG1 : rot 180:sc= 0.978 USER MOD Set 1.2: A 18 LYS NZ :NH3+ -119:sc= 0.773 (180deg=-2.46!) USER MOD Single : A 7 LYS NZ :NH3+ -135:sc= 1.3 (180deg=-1.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-8.1!) USER MOD Single : A 16 LYS NZ :NH3+ -114:sc= 1.06 (180deg=-0.689) USER MOD Single : A 24 MET CE :methyl 156:sc= -0.197 (180deg=-0.909) USER MOD Single : A 28 TYR OH : rot 30:sc= -0.948 USER MOD Single : A 29 SER OG : rot 65:sc= -0.055 USER MOD Single : A 30 HIS : no HE2:sc= -0.384 K(o=-0.38,f=-4.9!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -2.35! C(o=-2.4!,f=-12!) USER MOD Single : A 35 THR OG1 : rot -82:sc= 0.657 USER MOD Single : A 40 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.842 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= -0.251 (180deg=-0.934) USER MOD Single : A 59 ASN : amide:sc= -1.99 K(o=-2,f=-6!) USER MOD Single : A 62 LYS NZ :NH3+ -109:sc= 0.937 (180deg=-0.0594) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 49:sc= 0.401 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 2.01 (180deg=1.19) USER MOD Single : A 70 MET CE :methyl 169:sc= 0 (180deg=-0.182) USER MOD Single : A 71 LYS NZ :NH3+ -128:sc= 0.592 (180deg=-2.53!) USER MOD Single : A 73 TYR OH : rot 82:sc= -2 USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0.546 (180deg=0.486) USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= 0.979 (180deg=0.561) USER MOD Single : A 82 LYS NZ :NH3+ -128:sc= 1.22 (180deg=-0.125) USER MOD Single : A 83 LYS NZ :NH3+ -111:sc= -2.29! (180deg=-5.62!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0.0778 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 4.470 1.457 -2.043 1.00 1.12 N ATOM 42 CA GLU A 4 5.054 0.284 -1.310 1.00 1.07 C ATOM 43 C GLU A 4 6.561 0.192 -1.532 1.00 0.62 C ATOM 44 O GLU A 4 7.412 -0.028 -0.693 1.00 0.72 O ATOM 45 CB GLU A 4 4.323 -0.958 -1.829 1.00 1.31 C ATOM 46 CG GLU A 4 3.165 -1.419 -0.914 1.00 1.72 C ATOM 47 CD GLU A 4 2.406 -2.584 -1.581 1.00 3.17 C ATOM 48 OE1 GLU A 4 1.759 -2.316 -2.580 1.00 4.10 O ATOM 49 OE2 GLU A 4 2.523 -3.676 -1.056 1.00 3.55 O ATOM 0 HA GLU A 4 4.920 0.384 -0.233 1.00 1.07 H new ATOM 0 HB2 GLU A 4 3.929 -0.749 -2.823 1.00 1.31 H new ATOM 0 HB3 GLU A 4 5.039 -1.773 -1.935 1.00 1.31 H new ATOM 0 HG2 GLU A 4 3.557 -1.734 0.053 1.00 1.72 H new ATOM 0 HG3 GLU A 4 2.484 -0.589 -0.727 1.00 1.72 H new ATOM 56 N PHE A 5 6.734 0.397 -2.786 1.00 0.47 N ATOM 57 CA PHE A 5 7.995 0.413 -3.539 1.00 0.24 C ATOM 58 C PHE A 5 8.795 1.675 -3.253 1.00 0.25 C ATOM 59 O PHE A 5 9.978 1.626 -2.980 1.00 0.27 O ATOM 60 CB PHE A 5 7.490 0.256 -4.937 1.00 0.37 C ATOM 61 CG PHE A 5 8.567 0.643 -5.916 1.00 0.31 C ATOM 62 CD1 PHE A 5 8.826 1.970 -6.120 1.00 0.97 C ATOM 63 CD2 PHE A 5 9.288 -0.315 -6.575 1.00 1.44 C ATOM 64 CE1 PHE A 5 9.810 2.342 -6.983 1.00 1.05 C ATOM 65 CE2 PHE A 5 10.282 0.034 -7.451 1.00 1.40 C ATOM 66 CZ PHE A 5 10.542 1.384 -7.652 1.00 0.35 C ATOM 0 H PHE A 5 5.937 0.578 -3.396 1.00 0.47 H new ATOM 0 HA PHE A 5 8.721 -0.359 -3.285 1.00 0.24 H new ATOM 0 HB2 PHE A 5 7.184 -0.776 -5.109 1.00 0.37 H new ATOM 0 HB3 PHE A 5 6.609 0.879 -5.087 1.00 0.37 H new ATOM 0 HD1 PHE A 5 8.251 2.721 -5.598 1.00 0.97 H new ATOM 0 HD2 PHE A 5 9.071 -1.359 -6.403 1.00 1.44 H new ATOM 0 HE1 PHE A 5 10.018 3.389 -7.144 1.00 1.05 H new ATOM 0 HE2 PHE A 5 10.850 -0.722 -7.973 1.00 1.40 H new ATOM 0 HZ PHE A 5 11.322 1.685 -8.336 1.00 0.35 H new ATOM 76 N ASP A 6 8.115 2.779 -3.346 1.00 0.35 N ATOM 77 CA ASP A 6 8.732 4.095 -3.090 1.00 0.40 C ATOM 78 C ASP A 6 9.520 3.972 -1.794 1.00 0.46 C ATOM 79 O ASP A 6 10.682 4.307 -1.695 1.00 0.46 O ATOM 80 CB ASP A 6 7.539 5.032 -3.054 1.00 0.52 C ATOM 81 CG ASP A 6 6.829 5.010 -4.396 1.00 0.49 C ATOM 82 OD1 ASP A 6 6.162 4.018 -4.646 1.00 1.48 O ATOM 83 OD2 ASP A 6 7.014 5.990 -5.086 1.00 0.90 O ATOM 0 H ASP A 6 7.127 2.819 -3.597 1.00 0.35 H new ATOM 0 HA ASP A 6 9.449 4.466 -3.823 1.00 0.40 H new ATOM 0 HB2 ASP A 6 6.852 4.731 -2.263 1.00 0.52 H new ATOM 0 HB3 ASP A 6 7.867 6.045 -2.822 1.00 0.52 H new ATOM 88 N LYS A 7 8.803 3.455 -0.838 1.00 0.50 N ATOM 89 CA LYS A 7 9.351 3.216 0.542 1.00 0.58 C ATOM 90 C LYS A 7 10.672 2.426 0.504 1.00 0.55 C ATOM 91 O LYS A 7 11.536 2.645 1.336 1.00 1.05 O ATOM 92 CB LYS A 7 8.281 2.441 1.368 1.00 0.66 C ATOM 93 CG LYS A 7 8.876 1.901 2.720 1.00 0.76 C ATOM 94 CD LYS A 7 9.299 3.094 3.644 1.00 1.02 C ATOM 95 CE LYS A 7 10.308 2.667 4.747 1.00 1.43 C ATOM 96 NZ LYS A 7 11.683 2.498 4.167 1.00 1.72 N ATOM 0 H LYS A 7 7.828 3.177 -0.952 1.00 0.50 H new ATOM 0 HA LYS A 7 9.569 4.177 1.007 1.00 0.58 H new ATOM 0 HB2 LYS A 7 7.436 3.097 1.577 1.00 0.66 H new ATOM 0 HB3 LYS A 7 7.899 1.607 0.779 1.00 0.66 H new ATOM 0 HG2 LYS A 7 8.137 1.282 3.229 1.00 0.76 H new ATOM 0 HG3 LYS A 7 9.738 1.266 2.518 1.00 0.76 H new ATOM 0 HD2 LYS A 7 9.744 3.881 3.035 1.00 1.02 H new ATOM 0 HD3 LYS A 7 8.411 3.518 4.113 1.00 1.02 H new ATOM 0 HE2 LYS A 7 10.330 3.417 5.537 1.00 1.43 H new ATOM 0 HE3 LYS A 7 9.982 1.732 5.204 1.00 1.43 H new ATOM 0 HZ1 LYS A 7 12.106 1.618 4.526 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 11.619 2.453 3.130 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 12.278 3.306 4.442 1.00 1.72 H new ATOM 110 N ALA A 8 10.750 1.539 -0.451 1.00 0.21 N ATOM 111 CA ALA A 8 11.960 0.678 -0.648 1.00 0.25 C ATOM 112 C ALA A 8 13.091 1.500 -1.314 1.00 0.25 C ATOM 113 O ALA A 8 14.226 1.424 -0.874 1.00 0.29 O ATOM 114 CB ALA A 8 11.551 -0.500 -1.518 1.00 0.20 C ATOM 0 H ALA A 8 10.004 1.368 -1.125 1.00 0.21 H new ATOM 0 HA ALA A 8 12.340 0.315 0.307 1.00 0.25 H new ATOM 0 HB1 ALA A 8 12.412 -1.148 -1.681 1.00 0.20 H new ATOM 0 HB2 ALA A 8 10.762 -1.063 -1.020 1.00 0.20 H new ATOM 0 HB3 ALA A 8 11.186 -0.134 -2.478 1.00 0.20 H new ATOM 120 N ALA A 9 12.771 2.252 -2.345 1.00 0.23 N ATOM 121 CA ALA A 9 13.795 3.100 -3.047 1.00 0.25 C ATOM 122 C ALA A 9 14.627 4.083 -2.159 1.00 0.27 C ATOM 123 O ALA A 9 15.370 4.891 -2.681 1.00 0.63 O ATOM 124 CB ALA A 9 13.036 3.857 -4.124 1.00 0.17 C ATOM 0 H ALA A 9 11.831 2.315 -2.735 1.00 0.23 H new ATOM 0 HA ALA A 9 14.565 2.432 -3.434 1.00 0.25 H new ATOM 0 HB1 ALA A 9 13.726 4.496 -4.675 1.00 0.17 H new ATOM 0 HB2 ALA A 9 12.573 3.147 -4.810 1.00 0.17 H new ATOM 0 HB3 ALA A 9 12.264 4.471 -3.661 1.00 0.17 H new ATOM 130 N GLU A 10 14.474 3.975 -0.869 1.00 0.56 N ATOM 131 CA GLU A 10 15.185 4.809 0.135 1.00 0.63 C ATOM 132 C GLU A 10 16.105 3.749 0.749 1.00 0.64 C ATOM 133 O GLU A 10 17.318 3.816 0.709 1.00 0.67 O ATOM 134 CB GLU A 10 14.142 5.359 1.169 1.00 0.79 C ATOM 135 CG GLU A 10 14.368 4.778 2.611 1.00 2.86 C ATOM 136 CD GLU A 10 13.554 5.463 3.691 1.00 3.27 C ATOM 137 OE1 GLU A 10 14.080 6.434 4.207 1.00 3.65 O ATOM 138 OE2 GLU A 10 12.466 4.949 3.918 1.00 3.55 O ATOM 0 H GLU A 10 13.841 3.295 -0.447 1.00 0.56 H new ATOM 0 HA GLU A 10 15.713 5.686 -0.239 1.00 0.63 H new ATOM 0 HB2 GLU A 10 14.207 6.447 1.204 1.00 0.79 H new ATOM 0 HB3 GLU A 10 13.135 5.110 0.833 1.00 0.79 H new ATOM 0 HG2 GLU A 10 14.123 3.716 2.605 1.00 2.86 H new ATOM 0 HG3 GLU A 10 15.426 4.860 2.862 1.00 2.86 H new ATOM 145 N GLU A 11 15.422 2.775 1.290 1.00 0.60 N ATOM 146 CA GLU A 11 16.072 1.619 1.965 1.00 0.63 C ATOM 147 C GLU A 11 17.263 1.151 1.153 1.00 0.54 C ATOM 148 O GLU A 11 18.395 1.114 1.596 1.00 0.69 O ATOM 149 CB GLU A 11 15.023 0.523 2.102 1.00 0.69 C ATOM 150 CG GLU A 11 14.024 0.933 3.183 1.00 0.69 C ATOM 151 CD GLU A 11 13.872 -0.102 4.286 1.00 0.76 C ATOM 152 OE1 GLU A 11 14.800 -0.840 4.579 1.00 1.35 O ATOM 153 OE2 GLU A 11 12.760 -0.091 4.788 1.00 0.61 O ATOM 0 H GLU A 11 14.403 2.735 1.290 1.00 0.60 H new ATOM 0 HA GLU A 11 16.444 1.895 2.952 1.00 0.63 H new ATOM 0 HB2 GLU A 11 14.510 0.370 1.152 1.00 0.69 H new ATOM 0 HB3 GLU A 11 15.497 -0.423 2.365 1.00 0.69 H new ATOM 0 HG2 GLU A 11 14.343 1.878 3.623 1.00 0.69 H new ATOM 0 HG3 GLU A 11 13.052 1.108 2.722 1.00 0.69 H new ATOM 160 N VAL A 12 16.932 0.815 -0.066 1.00 0.29 N ATOM 161 CA VAL A 12 17.912 0.334 -1.036 1.00 0.27 C ATOM 162 C VAL A 12 18.932 1.425 -1.278 1.00 0.29 C ATOM 163 O VAL A 12 20.124 1.206 -1.252 1.00 0.34 O ATOM 164 CB VAL A 12 17.120 -0.052 -2.264 1.00 0.18 C ATOM 165 CG1 VAL A 12 17.124 0.954 -3.373 1.00 0.14 C ATOM 166 CG2 VAL A 12 17.623 -1.371 -2.715 1.00 0.29 C ATOM 0 H VAL A 12 15.979 0.863 -0.426 1.00 0.29 H new ATOM 0 HA VAL A 12 18.480 -0.533 -0.700 1.00 0.27 H new ATOM 0 HB VAL A 12 16.068 -0.097 -1.982 1.00 0.18 H new ATOM 0 HG11 VAL A 12 16.528 0.580 -4.205 1.00 0.14 H new ATOM 0 HG12 VAL A 12 16.700 1.892 -3.015 1.00 0.14 H new ATOM 0 HG13 VAL A 12 18.148 1.123 -3.707 1.00 0.14 H new ATOM 0 HG21 VAL A 12 17.074 -1.685 -3.603 1.00 0.29 H new ATOM 0 HG22 VAL A 12 18.684 -1.294 -2.953 1.00 0.29 H new ATOM 0 HG23 VAL A 12 17.481 -2.105 -1.922 1.00 0.29 H new ATOM 176 N LYS A 13 18.454 2.614 -1.507 1.00 0.26 N ATOM 177 CA LYS A 13 19.378 3.738 -1.750 1.00 0.28 C ATOM 178 C LYS A 13 20.278 3.991 -0.505 1.00 0.33 C ATOM 179 O LYS A 13 21.291 4.656 -0.593 1.00 0.43 O ATOM 180 CB LYS A 13 18.492 4.943 -2.085 1.00 0.33 C ATOM 181 CG LYS A 13 18.244 5.013 -3.602 1.00 0.53 C ATOM 182 CD LYS A 13 19.330 5.917 -4.218 1.00 0.96 C ATOM 183 CE LYS A 13 18.909 7.379 -4.100 1.00 0.21 C ATOM 184 NZ LYS A 13 20.034 8.233 -4.566 1.00 0.66 N ATOM 0 H LYS A 13 17.462 2.850 -1.535 1.00 0.26 H new ATOM 0 HA LYS A 13 20.066 3.533 -2.570 1.00 0.28 H new ATOM 0 HB2 LYS A 13 17.542 4.863 -1.557 1.00 0.33 H new ATOM 0 HB3 LYS A 13 18.970 5.861 -1.744 1.00 0.33 H new ATOM 0 HG2 LYS A 13 18.283 4.016 -4.041 1.00 0.53 H new ATOM 0 HG3 LYS A 13 17.252 5.414 -3.808 1.00 0.53 H new ATOM 0 HD2 LYS A 13 20.280 5.760 -3.708 1.00 0.96 H new ATOM 0 HD3 LYS A 13 19.483 5.656 -5.265 1.00 0.96 H new ATOM 0 HE2 LYS A 13 18.018 7.566 -4.699 1.00 0.21 H new ATOM 0 HE3 LYS A 13 18.655 7.618 -3.067 1.00 0.21 H new ATOM 0 HZ1 LYS A 13 19.763 9.234 -4.492 1.00 0.66 H new ATOM 0 HZ2 LYS A 13 20.872 8.056 -3.976 1.00 0.66 H new ATOM 0 HZ3 LYS A 13 20.255 8.006 -5.557 1.00 0.66 H new ATOM 198 N HIS A 14 19.877 3.440 0.607 1.00 0.28 N ATOM 199 CA HIS A 14 20.645 3.600 1.882 1.00 0.38 C ATOM 200 C HIS A 14 21.370 2.311 2.234 1.00 0.39 C ATOM 201 O HIS A 14 21.986 2.236 3.279 1.00 0.45 O ATOM 202 CB HIS A 14 19.708 3.940 3.046 1.00 0.40 C ATOM 203 CG HIS A 14 19.038 5.282 2.870 1.00 0.39 C ATOM 204 ND1 HIS A 14 17.792 5.387 2.606 1.00 0.37 N ATOM 205 CD2 HIS A 14 19.494 6.583 2.942 1.00 0.54 C ATOM 206 CE1 HIS A 14 17.462 6.639 2.516 1.00 0.32 C ATOM 207 NE2 HIS A 14 18.497 7.418 2.719 1.00 0.39 N ATOM 0 H HIS A 14 19.033 2.874 0.691 1.00 0.28 H new ATOM 0 HA HIS A 14 21.359 4.409 1.728 1.00 0.38 H new ATOM 0 HB2 HIS A 14 18.946 3.165 3.135 1.00 0.40 H new ATOM 0 HB3 HIS A 14 20.274 3.939 3.977 1.00 0.40 H new ATOM 0 HD2 HIS A 14 20.513 6.874 3.150 1.00 0.54 H new ATOM 0 HE1 HIS A 14 16.464 6.993 2.302 1.00 0.32 H new ATOM 0 HE2 HIS A 14 18.525 8.438 2.707 1.00 0.39 H new ATOM 215 N LEU A 15 21.297 1.312 1.391 1.00 0.37 N ATOM 216 CA LEU A 15 21.989 0.044 1.685 1.00 0.43 C ATOM 217 C LEU A 15 23.443 0.295 1.936 1.00 0.52 C ATOM 218 O LEU A 15 24.224 0.247 1.015 1.00 0.80 O ATOM 219 CB LEU A 15 21.816 -0.844 0.516 1.00 0.45 C ATOM 220 CG LEU A 15 20.422 -1.297 0.459 1.00 0.35 C ATOM 221 CD1 LEU A 15 20.275 -1.994 -0.857 1.00 0.45 C ATOM 222 CD2 LEU A 15 20.113 -2.257 1.586 1.00 0.23 C ATOM 0 H LEU A 15 20.783 1.331 0.510 1.00 0.37 H new ATOM 0 HA LEU A 15 21.571 -0.420 2.578 1.00 0.43 H new ATOM 0 HB2 LEU A 15 22.077 -0.314 -0.400 1.00 0.45 H new ATOM 0 HB3 LEU A 15 22.487 -1.700 0.592 1.00 0.45 H new ATOM 0 HG LEU A 15 19.735 -0.457 0.560 1.00 0.35 H new ATOM 0 HD11 LEU A 15 19.253 -2.358 -0.964 1.00 0.45 H new ATOM 0 HD12 LEU A 15 20.498 -1.297 -1.665 1.00 0.45 H new ATOM 0 HD13 LEU A 15 20.967 -2.835 -0.902 1.00 0.45 H new ATOM 0 HD21 LEU A 15 19.073 -2.576 1.518 1.00 0.23 H new ATOM 0 HD22 LEU A 15 20.765 -3.127 1.511 1.00 0.23 H new ATOM 0 HD23 LEU A 15 20.278 -1.761 2.542 1.00 0.23 H new ATOM 234 N LYS A 16 23.727 0.569 3.177 1.00 0.33 N ATOM 235 CA LYS A 16 25.095 0.853 3.693 1.00 0.37 C ATOM 236 C LYS A 16 26.244 0.468 2.745 1.00 0.22 C ATOM 237 O LYS A 16 27.185 1.211 2.547 1.00 0.36 O ATOM 238 CB LYS A 16 25.086 0.122 5.064 1.00 0.71 C ATOM 239 CG LYS A 16 26.448 0.119 5.803 1.00 1.52 C ATOM 240 CD LYS A 16 26.211 -0.157 7.329 1.00 1.68 C ATOM 241 CE LYS A 16 25.335 -1.398 7.566 1.00 2.33 C ATOM 242 NZ LYS A 16 25.009 -1.478 9.029 1.00 3.04 N ATOM 0 H LYS A 16 23.012 0.610 3.904 1.00 0.33 H new ATOM 0 HA LYS A 16 25.303 1.919 3.787 1.00 0.37 H new ATOM 0 HB2 LYS A 16 24.340 0.591 5.706 1.00 0.71 H new ATOM 0 HB3 LYS A 16 24.770 -0.909 4.909 1.00 0.71 H new ATOM 0 HG2 LYS A 16 27.102 -0.644 5.381 1.00 1.52 H new ATOM 0 HG3 LYS A 16 26.949 1.078 5.669 1.00 1.52 H new ATOM 0 HD2 LYS A 16 27.172 -0.293 7.825 1.00 1.68 H new ATOM 0 HD3 LYS A 16 25.737 0.713 7.784 1.00 1.68 H new ATOM 0 HE2 LYS A 16 24.420 -1.334 6.977 1.00 2.33 H new ATOM 0 HE3 LYS A 16 25.859 -2.298 7.245 1.00 2.33 H new ATOM 0 HZ1 LYS A 16 25.458 -2.322 9.439 1.00 3.04 H new ATOM 0 HZ2 LYS A 16 25.364 -0.628 9.511 1.00 3.04 H new ATOM 0 HZ3 LYS A 16 23.978 -1.540 9.152 1.00 3.04 H new ATOM 256 N THR A 17 26.101 -0.691 2.193 1.00 0.26 N ATOM 257 CA THR A 17 27.120 -1.216 1.253 1.00 0.20 C ATOM 258 C THR A 17 26.732 -1.770 -0.099 1.00 0.20 C ATOM 259 O THR A 17 26.049 -2.766 -0.147 1.00 0.16 O ATOM 260 CB THR A 17 27.951 -2.317 1.990 1.00 0.44 C ATOM 261 OG1 THR A 17 29.167 -1.644 2.279 1.00 0.98 O ATOM 262 CG2 THR A 17 28.444 -3.460 1.124 1.00 0.33 C ATOM 0 H THR A 17 25.308 -1.311 2.354 1.00 0.26 H new ATOM 0 HA THR A 17 27.647 -0.301 0.983 1.00 0.20 H new ATOM 0 HB THR A 17 27.331 -2.722 2.790 1.00 0.44 H new ATOM 0 HG1 THR A 17 29.773 -2.252 2.751 1.00 0.98 H new ATOM 0 HG21 THR A 17 29.007 -4.164 1.737 1.00 0.33 H new ATOM 0 HG22 THR A 17 27.592 -3.971 0.676 1.00 0.33 H new ATOM 0 HG23 THR A 17 29.088 -3.068 0.336 1.00 0.33 H new ATOM 270 N LYS A 18 27.147 -1.092 -1.141 1.00 0.28 N ATOM 271 CA LYS A 18 26.913 -1.500 -2.557 1.00 0.33 C ATOM 272 C LYS A 18 26.664 -3.037 -2.619 1.00 0.31 C ATOM 273 O LYS A 18 27.617 -3.795 -2.632 1.00 0.37 O ATOM 274 CB LYS A 18 28.190 -1.053 -3.298 1.00 0.40 C ATOM 275 CG LYS A 18 29.461 -1.543 -2.493 1.00 1.57 C ATOM 276 CD LYS A 18 30.372 -0.330 -2.088 1.00 2.48 C ATOM 277 CE LYS A 18 30.932 -0.469 -0.647 1.00 3.79 C ATOM 278 NZ LYS A 18 30.037 0.240 0.334 1.00 5.13 N ATOM 0 H LYS A 18 27.670 -0.220 -1.056 1.00 0.28 H new ATOM 0 HA LYS A 18 26.033 -1.048 -3.015 1.00 0.33 H new ATOM 0 HB2 LYS A 18 28.203 -1.466 -4.306 1.00 0.40 H new ATOM 0 HB3 LYS A 18 28.205 0.032 -3.398 1.00 0.40 H new ATOM 0 HG2 LYS A 18 29.145 -2.080 -1.598 1.00 1.57 H new ATOM 0 HG3 LYS A 18 30.032 -2.245 -3.100 1.00 1.57 H new ATOM 0 HD2 LYS A 18 31.201 -0.250 -2.791 1.00 2.48 H new ATOM 0 HD3 LYS A 18 29.799 0.594 -2.165 1.00 2.48 H new ATOM 0 HE2 LYS A 18 31.011 -1.523 -0.381 1.00 3.79 H new ATOM 0 HE3 LYS A 18 31.938 -0.052 -0.599 1.00 3.79 H new ATOM 0 HZ1 LYS A 18 30.572 0.995 0.809 1.00 5.13 H new ATOM 0 HZ2 LYS A 18 29.228 0.654 -0.171 1.00 5.13 H new ATOM 0 HZ3 LYS A 18 29.692 -0.439 1.043 1.00 5.13 H new ATOM 292 N PRO A 19 25.428 -3.459 -2.628 1.00 0.27 N ATOM 293 CA PRO A 19 25.120 -4.909 -2.684 1.00 0.29 C ATOM 294 C PRO A 19 25.748 -5.655 -3.866 1.00 0.37 C ATOM 295 O PRO A 19 26.326 -5.048 -4.745 1.00 0.40 O ATOM 296 CB PRO A 19 23.602 -4.908 -2.668 1.00 0.28 C ATOM 297 CG PRO A 19 23.254 -3.594 -1.925 1.00 0.14 C ATOM 298 CD PRO A 19 24.212 -2.610 -2.558 1.00 0.22 C ATOM 0 HA PRO A 19 25.557 -5.470 -1.858 1.00 0.29 H new ATOM 0 HB2 PRO A 19 23.189 -4.921 -3.677 1.00 0.28 H new ATOM 0 HB3 PRO A 19 23.205 -5.781 -2.150 1.00 0.28 H new ATOM 0 HG2 PRO A 19 22.214 -3.304 -2.075 1.00 0.14 H new ATOM 0 HG3 PRO A 19 23.409 -3.680 -0.850 1.00 0.14 H new ATOM 0 HD2 PRO A 19 23.879 -2.274 -3.540 1.00 0.22 H new ATOM 0 HD3 PRO A 19 24.359 -1.718 -1.949 1.00 0.22 H new ATOM 306 N ALA A 20 25.635 -6.963 -3.872 1.00 0.41 N ATOM 307 CA ALA A 20 26.234 -7.720 -5.026 1.00 0.48 C ATOM 308 C ALA A 20 25.661 -7.106 -6.323 1.00 0.45 C ATOM 309 O ALA A 20 24.451 -6.974 -6.448 1.00 0.41 O ATOM 310 CB ALA A 20 25.839 -9.203 -4.962 1.00 0.52 C ATOM 0 H ALA A 20 25.172 -7.525 -3.158 1.00 0.41 H new ATOM 0 HA ALA A 20 27.321 -7.651 -4.993 1.00 0.48 H new ATOM 0 HB1 ALA A 20 26.282 -9.734 -5.805 1.00 0.52 H new ATOM 0 HB2 ALA A 20 26.201 -9.636 -4.030 1.00 0.52 H new ATOM 0 HB3 ALA A 20 24.754 -9.293 -5.006 1.00 0.52 H new ATOM 316 N ASP A 21 26.534 -6.738 -7.231 1.00 0.49 N ATOM 317 CA ASP A 21 26.092 -6.132 -8.522 1.00 0.44 C ATOM 318 C ASP A 21 24.825 -6.834 -8.998 1.00 0.41 C ATOM 319 O ASP A 21 23.864 -6.145 -9.205 1.00 0.59 O ATOM 320 CB ASP A 21 27.211 -6.264 -9.578 1.00 0.69 C ATOM 321 CG ASP A 21 28.556 -5.793 -9.049 1.00 1.10 C ATOM 322 OD1 ASP A 21 29.036 -6.438 -8.135 1.00 2.30 O ATOM 323 OD2 ASP A 21 29.029 -4.816 -9.594 1.00 1.15 O ATOM 0 H ASP A 21 27.544 -6.834 -7.129 1.00 0.49 H new ATOM 0 HA ASP A 21 25.881 -5.073 -8.376 1.00 0.44 H new ATOM 0 HB2 ASP A 21 27.290 -7.304 -9.893 1.00 0.69 H new ATOM 0 HB3 ASP A 21 26.946 -5.683 -10.461 1.00 0.69 H new ATOM 328 N GLU A 22 24.772 -8.134 -9.161 1.00 0.38 N ATOM 329 CA GLU A 22 23.494 -8.772 -9.628 1.00 0.40 C ATOM 330 C GLU A 22 22.233 -8.252 -8.880 1.00 0.34 C ATOM 331 O GLU A 22 21.200 -7.968 -9.470 1.00 0.38 O ATOM 332 CB GLU A 22 23.631 -10.308 -9.449 1.00 0.64 C ATOM 333 CG GLU A 22 24.740 -10.905 -10.381 1.00 0.83 C ATOM 334 CD GLU A 22 24.636 -12.445 -10.464 1.00 1.47 C ATOM 335 OE1 GLU A 22 23.620 -12.872 -10.987 1.00 2.63 O ATOM 336 OE2 GLU A 22 25.562 -13.111 -10.015 1.00 1.02 O ATOM 0 H GLU A 22 25.546 -8.777 -8.994 1.00 0.38 H new ATOM 0 HA GLU A 22 23.346 -8.506 -10.675 1.00 0.40 H new ATOM 0 HB2 GLU A 22 23.870 -10.533 -8.410 1.00 0.64 H new ATOM 0 HB3 GLU A 22 22.676 -10.786 -9.668 1.00 0.64 H new ATOM 0 HG2 GLU A 22 24.647 -10.478 -11.380 1.00 0.83 H new ATOM 0 HG3 GLU A 22 25.724 -10.625 -10.005 1.00 0.83 H new ATOM 343 N GLU A 23 22.336 -8.116 -7.582 1.00 0.34 N ATOM 344 CA GLU A 23 21.162 -7.622 -6.807 1.00 0.34 C ATOM 345 C GLU A 23 20.996 -6.135 -7.132 1.00 0.23 C ATOM 346 O GLU A 23 19.874 -5.711 -7.351 1.00 0.33 O ATOM 347 CB GLU A 23 21.416 -7.903 -5.265 1.00 0.35 C ATOM 348 CG GLU A 23 21.639 -9.442 -5.107 1.00 0.49 C ATOM 349 CD GLU A 23 21.003 -9.924 -3.814 1.00 1.05 C ATOM 350 OE1 GLU A 23 21.439 -9.517 -2.750 1.00 0.87 O ATOM 351 OE2 GLU A 23 20.063 -10.697 -3.923 1.00 2.10 O ATOM 0 H GLU A 23 23.171 -8.323 -7.033 1.00 0.34 H new ATOM 0 HA GLU A 23 20.236 -8.133 -7.071 1.00 0.34 H new ATOM 0 HB2 GLU A 23 22.286 -7.350 -4.911 1.00 0.35 H new ATOM 0 HB3 GLU A 23 20.565 -7.574 -4.669 1.00 0.35 H new ATOM 0 HG2 GLU A 23 21.205 -9.971 -5.956 1.00 0.49 H new ATOM 0 HG3 GLU A 23 22.706 -9.666 -5.104 1.00 0.49 H new ATOM 358 N MET A 24 22.094 -5.413 -7.162 1.00 0.25 N ATOM 359 CA MET A 24 22.055 -3.953 -7.482 1.00 0.35 C ATOM 360 C MET A 24 21.328 -3.852 -8.850 1.00 0.47 C ATOM 361 O MET A 24 20.431 -3.072 -9.046 1.00 0.66 O ATOM 362 CB MET A 24 23.522 -3.484 -7.511 1.00 0.38 C ATOM 363 CG MET A 24 24.104 -3.430 -6.091 1.00 0.38 C ATOM 364 SD MET A 24 25.583 -2.409 -5.844 1.00 0.75 S ATOM 365 CE MET A 24 24.970 -0.805 -6.420 1.00 0.56 C ATOM 0 H MET A 24 23.027 -5.782 -6.975 1.00 0.25 H new ATOM 0 HA MET A 24 21.525 -3.322 -6.769 1.00 0.35 H new ATOM 0 HB2 MET A 24 24.113 -4.162 -8.126 1.00 0.38 H new ATOM 0 HB3 MET A 24 23.585 -2.499 -7.973 1.00 0.38 H new ATOM 0 HG2 MET A 24 23.326 -3.067 -5.420 1.00 0.38 H new ATOM 0 HG3 MET A 24 24.340 -4.449 -5.783 1.00 0.38 H new ATOM 0 HE1 MET A 24 25.555 -0.007 -5.964 1.00 0.56 H new ATOM 0 HE2 MET A 24 25.062 -0.748 -7.505 1.00 0.56 H new ATOM 0 HE3 MET A 24 23.923 -0.693 -6.139 1.00 0.56 H new ATOM 375 N LEU A 25 21.764 -4.661 -9.765 1.00 0.38 N ATOM 376 CA LEU A 25 21.247 -4.795 -11.134 1.00 0.48 C ATOM 377 C LEU A 25 19.729 -4.957 -11.102 1.00 0.47 C ATOM 378 O LEU A 25 19.002 -4.094 -11.557 1.00 0.61 O ATOM 379 CB LEU A 25 21.997 -6.019 -11.711 1.00 0.47 C ATOM 380 CG LEU A 25 23.347 -5.552 -12.105 1.00 0.82 C ATOM 381 CD1 LEU A 25 24.293 -6.692 -12.394 1.00 0.55 C ATOM 382 CD2 LEU A 25 23.153 -4.779 -13.392 1.00 1.36 C ATOM 0 H LEU A 25 22.541 -5.297 -9.585 1.00 0.38 H new ATOM 0 HA LEU A 25 21.418 -3.921 -11.762 1.00 0.48 H new ATOM 0 HB2 LEU A 25 22.065 -6.815 -10.969 1.00 0.47 H new ATOM 0 HB3 LEU A 25 21.464 -6.428 -12.569 1.00 0.47 H new ATOM 0 HG LEU A 25 23.779 -4.966 -11.293 1.00 0.82 H new ATOM 0 HD11 LEU A 25 25.267 -6.293 -12.678 1.00 0.55 H new ATOM 0 HD12 LEU A 25 24.400 -7.311 -11.503 1.00 0.55 H new ATOM 0 HD13 LEU A 25 23.896 -7.296 -13.210 1.00 0.55 H new ATOM 0 HD21 LEU A 25 24.116 -4.404 -13.740 1.00 1.36 H new ATOM 0 HD22 LEU A 25 22.724 -5.435 -14.149 1.00 1.36 H new ATOM 0 HD23 LEU A 25 22.480 -3.940 -13.215 1.00 1.36 H new ATOM 394 N PHE A 26 19.313 -6.077 -10.556 1.00 0.35 N ATOM 395 CA PHE A 26 17.857 -6.374 -10.448 1.00 0.35 C ATOM 396 C PHE A 26 17.113 -5.152 -9.915 1.00 0.31 C ATOM 397 O PHE A 26 16.193 -4.647 -10.530 1.00 0.32 O ATOM 398 CB PHE A 26 17.626 -7.543 -9.478 1.00 0.32 C ATOM 399 CG PHE A 26 16.107 -7.729 -9.333 1.00 0.38 C ATOM 400 CD1 PHE A 26 15.368 -6.995 -8.402 1.00 1.52 C ATOM 401 CD2 PHE A 26 15.458 -8.630 -10.154 1.00 1.16 C ATOM 402 CE1 PHE A 26 13.999 -7.180 -8.313 1.00 1.59 C ATOM 403 CE2 PHE A 26 14.095 -8.804 -10.054 1.00 1.11 C ATOM 404 CZ PHE A 26 13.376 -8.079 -9.134 1.00 0.53 C ATOM 0 H PHE A 26 19.928 -6.799 -10.180 1.00 0.35 H new ATOM 0 HA PHE A 26 17.486 -6.635 -11.439 1.00 0.35 H new ATOM 0 HB2 PHE A 26 18.089 -8.454 -9.858 1.00 0.32 H new ATOM 0 HB3 PHE A 26 18.081 -7.334 -8.510 1.00 0.32 H new ATOM 0 HD1 PHE A 26 15.863 -6.286 -7.754 1.00 1.52 H new ATOM 0 HD2 PHE A 26 16.021 -9.201 -10.878 1.00 1.16 H new ATOM 0 HE1 PHE A 26 13.423 -6.615 -7.595 1.00 1.59 H new ATOM 0 HE2 PHE A 26 13.592 -9.510 -10.698 1.00 1.11 H new ATOM 0 HZ PHE A 26 12.308 -8.221 -9.059 1.00 0.53 H new ATOM 414 N ILE A 27 17.581 -4.738 -8.764 1.00 0.24 N ATOM 415 CA ILE A 27 17.004 -3.571 -8.058 1.00 0.21 C ATOM 416 C ILE A 27 16.906 -2.428 -9.059 1.00 0.27 C ATOM 417 O ILE A 27 15.841 -1.906 -9.274 1.00 0.35 O ATOM 418 CB ILE A 27 17.936 -3.331 -6.881 1.00 0.16 C ATOM 419 CG1 ILE A 27 17.791 -4.588 -5.921 1.00 0.06 C ATOM 420 CG2 ILE A 27 17.474 -2.065 -6.174 1.00 0.22 C ATOM 421 CD1 ILE A 27 16.718 -4.404 -4.863 1.00 0.06 C ATOM 0 H ILE A 27 18.362 -5.179 -8.277 1.00 0.24 H new ATOM 0 HA ILE A 27 15.994 -3.701 -7.670 1.00 0.21 H new ATOM 0 HB ILE A 27 18.976 -3.210 -7.185 1.00 0.16 H new ATOM 0 HG12 ILE A 27 17.558 -5.470 -6.518 1.00 0.06 H new ATOM 0 HG13 ILE A 27 18.747 -4.778 -5.433 1.00 0.06 H new ATOM 0 HG21 ILE A 27 18.125 -1.866 -5.323 1.00 0.22 H new ATOM 0 HG22 ILE A 27 17.516 -1.225 -6.867 1.00 0.22 H new ATOM 0 HG23 ILE A 27 16.450 -2.196 -5.825 1.00 0.22 H new ATOM 0 HD11 ILE A 27 16.666 -5.296 -4.238 1.00 0.06 H new ATOM 0 HD12 ILE A 27 16.962 -3.541 -4.244 1.00 0.06 H new ATOM 0 HD13 ILE A 27 15.754 -4.243 -5.346 1.00 0.06 H new ATOM 433 N TYR A 28 18.003 -2.054 -9.643 1.00 0.23 N ATOM 434 CA TYR A 28 18.006 -0.952 -10.661 1.00 0.33 C ATOM 435 C TYR A 28 16.971 -1.247 -11.772 1.00 0.35 C ATOM 436 O TYR A 28 16.012 -0.515 -11.874 1.00 0.31 O ATOM 437 CB TYR A 28 19.381 -0.840 -11.306 1.00 0.42 C ATOM 438 CG TYR A 28 19.338 0.231 -12.420 1.00 0.40 C ATOM 439 CD1 TYR A 28 18.982 -0.073 -13.732 1.00 1.54 C ATOM 440 CD2 TYR A 28 19.660 1.529 -12.114 1.00 2.26 C ATOM 441 CE1 TYR A 28 18.958 0.907 -14.706 1.00 1.53 C ATOM 442 CE2 TYR A 28 19.630 2.498 -13.090 1.00 2.25 C ATOM 443 CZ TYR A 28 19.282 2.200 -14.392 1.00 0.39 C ATOM 444 OH TYR A 28 19.241 3.164 -15.378 1.00 0.35 O ATOM 0 H TYR A 28 18.918 -2.467 -9.461 1.00 0.23 H new ATOM 0 HA TYR A 28 17.753 -0.021 -10.154 1.00 0.33 H new ATOM 0 HB2 TYR A 28 20.126 -0.572 -10.557 1.00 0.42 H new ATOM 0 HB3 TYR A 28 19.679 -1.802 -11.722 1.00 0.42 H new ATOM 0 HD1 TYR A 28 18.721 -1.088 -13.992 1.00 1.54 H new ATOM 0 HD2 TYR A 28 19.938 1.791 -11.104 1.00 2.26 H new ATOM 0 HE1 TYR A 28 18.683 0.652 -15.719 1.00 1.53 H new ATOM 0 HE2 TYR A 28 19.885 3.515 -12.832 1.00 2.25 H new ATOM 0 HH TYR A 28 18.560 2.925 -16.041 1.00 0.35 H new ATOM 454 N SER A 29 17.156 -2.273 -12.567 1.00 0.43 N ATOM 455 CA SER A 29 16.168 -2.584 -13.656 1.00 0.51 C ATOM 456 C SER A 29 14.725 -2.461 -13.162 1.00 0.45 C ATOM 457 O SER A 29 13.957 -1.690 -13.712 1.00 0.46 O ATOM 458 CB SER A 29 16.437 -4.026 -14.225 1.00 0.56 C ATOM 459 OG SER A 29 17.570 -4.554 -13.547 1.00 1.58 O ATOM 0 H SER A 29 17.949 -2.912 -12.511 1.00 0.43 H new ATOM 0 HA SER A 29 16.301 -1.853 -14.453 1.00 0.51 H new ATOM 0 HB2 SER A 29 15.568 -4.666 -14.072 1.00 0.56 H new ATOM 0 HB3 SER A 29 16.619 -3.986 -15.299 1.00 0.56 H new ATOM 0 HG SER A 29 17.356 -4.676 -12.598 1.00 1.58 H new ATOM 465 N HIS A 30 14.388 -3.193 -12.134 1.00 0.42 N ATOM 466 CA HIS A 30 13.002 -3.128 -11.593 1.00 0.39 C ATOM 467 C HIS A 30 12.673 -1.693 -11.087 1.00 0.32 C ATOM 468 O HIS A 30 11.612 -1.194 -11.388 1.00 0.25 O ATOM 469 CB HIS A 30 12.939 -4.207 -10.492 1.00 0.29 C ATOM 470 CG HIS A 30 12.408 -5.526 -11.079 1.00 0.27 C ATOM 471 ND1 HIS A 30 11.228 -6.023 -10.879 1.00 1.19 N ATOM 472 CD2 HIS A 30 13.008 -6.446 -11.919 1.00 0.66 C ATOM 473 CE1 HIS A 30 11.093 -7.139 -11.525 1.00 1.18 C ATOM 474 NE2 HIS A 30 12.180 -7.440 -12.187 1.00 0.39 N ATOM 0 H HIS A 30 15.014 -3.833 -11.646 1.00 0.42 H new ATOM 0 HA HIS A 30 12.243 -3.328 -12.349 1.00 0.39 H new ATOM 0 HB2 HIS A 30 13.930 -4.362 -10.066 1.00 0.29 H new ATOM 0 HB3 HIS A 30 12.292 -3.874 -9.681 1.00 0.29 H new ATOM 0 HD1 HIS A 30 10.508 -5.597 -10.296 1.00 1.19 H new ATOM 0 HD2 HIS A 30 14.014 -6.363 -12.303 1.00 0.66 H new ATOM 0 HE1 HIS A 30 10.198 -7.743 -11.517 1.00 1.18 H new ATOM 482 N TYR A 31 13.545 -1.071 -10.342 1.00 0.33 N ATOM 483 CA TYR A 31 13.333 0.305 -9.819 1.00 0.27 C ATOM 484 C TYR A 31 13.033 1.300 -10.965 1.00 0.35 C ATOM 485 O TYR A 31 12.013 1.964 -10.976 1.00 0.34 O ATOM 486 CB TYR A 31 14.591 0.719 -9.105 1.00 0.21 C ATOM 487 CG TYR A 31 14.438 2.151 -8.657 1.00 0.18 C ATOM 488 CD1 TYR A 31 13.568 2.568 -7.666 1.00 1.04 C ATOM 489 CD2 TYR A 31 15.189 3.055 -9.339 1.00 1.12 C ATOM 490 CE1 TYR A 31 13.462 3.916 -7.386 1.00 1.08 C ATOM 491 CE2 TYR A 31 15.082 4.389 -9.054 1.00 1.08 C ATOM 492 CZ TYR A 31 14.219 4.824 -8.086 1.00 0.14 C ATOM 493 OH TYR A 31 14.132 6.176 -7.863 1.00 0.16 O ATOM 0 H TYR A 31 14.436 -1.483 -10.064 1.00 0.33 H new ATOM 0 HA TYR A 31 12.477 0.313 -9.145 1.00 0.27 H new ATOM 0 HB2 TYR A 31 14.770 0.071 -8.247 1.00 0.21 H new ATOM 0 HB3 TYR A 31 15.452 0.619 -9.766 1.00 0.21 H new ATOM 0 HD1 TYR A 31 12.979 1.848 -7.118 1.00 1.04 H new ATOM 0 HD2 TYR A 31 15.871 2.720 -10.107 1.00 1.12 H new ATOM 0 HE1 TYR A 31 12.784 4.256 -6.617 1.00 1.08 H new ATOM 0 HE2 TYR A 31 15.683 5.103 -9.597 1.00 1.08 H new ATOM 0 HH TYR A 31 14.751 6.646 -8.460 1.00 0.16 H new ATOM 503 N LYS A 32 13.971 1.354 -11.881 1.00 0.44 N ATOM 504 CA LYS A 32 13.849 2.254 -13.062 1.00 0.52 C ATOM 505 C LYS A 32 12.507 1.953 -13.729 1.00 0.53 C ATOM 506 O LYS A 32 11.749 2.868 -13.954 1.00 0.54 O ATOM 507 CB LYS A 32 15.015 1.966 -13.954 1.00 0.53 C ATOM 508 CG LYS A 32 16.347 2.266 -13.237 1.00 0.46 C ATOM 509 CD LYS A 32 16.578 3.701 -12.678 1.00 0.54 C ATOM 510 CE LYS A 32 16.833 4.657 -13.804 1.00 0.56 C ATOM 511 NZ LYS A 32 17.568 5.838 -13.249 1.00 1.07 N ATOM 0 H LYS A 32 14.828 0.802 -11.855 1.00 0.44 H new ATOM 0 HA LYS A 32 13.867 3.313 -12.806 1.00 0.52 H new ATOM 0 HB2 LYS A 32 14.992 0.921 -14.263 1.00 0.53 H new ATOM 0 HB3 LYS A 32 14.942 2.568 -14.860 1.00 0.53 H new ATOM 0 HG2 LYS A 32 16.442 1.566 -12.407 1.00 0.46 H new ATOM 0 HG3 LYS A 32 17.156 2.046 -13.933 1.00 0.46 H new ATOM 0 HD2 LYS A 32 15.706 4.022 -12.108 1.00 0.54 H new ATOM 0 HD3 LYS A 32 17.425 3.701 -11.992 1.00 0.54 H new ATOM 0 HE2 LYS A 32 17.420 4.176 -14.587 1.00 0.56 H new ATOM 0 HE3 LYS A 32 15.893 4.971 -14.258 1.00 0.56 H new ATOM 0 HZ1 LYS A 32 17.758 6.519 -14.012 1.00 1.07 H new ATOM 0 HZ2 LYS A 32 16.989 6.294 -12.515 1.00 1.07 H new ATOM 0 HZ3 LYS A 32 18.468 5.523 -12.834 1.00 1.07 H new ATOM 525 N GLN A 33 12.230 0.718 -14.056 1.00 0.54 N ATOM 526 CA GLN A 33 10.886 0.470 -14.683 1.00 0.54 C ATOM 527 C GLN A 33 9.739 0.973 -13.780 1.00 0.51 C ATOM 528 O GLN A 33 8.967 1.828 -14.170 1.00 0.74 O ATOM 529 CB GLN A 33 10.719 -1.022 -14.952 1.00 0.55 C ATOM 530 CG GLN A 33 10.330 -1.277 -16.450 1.00 0.66 C ATOM 531 CD GLN A 33 8.862 -0.929 -16.698 1.00 0.79 C ATOM 532 OE1 GLN A 33 8.234 -0.208 -15.962 1.00 1.60 O ATOM 533 NE2 GLN A 33 8.261 -1.429 -17.726 1.00 1.28 N ATOM 0 H GLN A 33 12.834 -0.094 -13.928 1.00 0.54 H new ATOM 0 HA GLN A 33 10.839 1.024 -15.621 1.00 0.54 H new ATOM 0 HB2 GLN A 33 11.647 -1.544 -14.718 1.00 0.55 H new ATOM 0 HB3 GLN A 33 9.949 -1.430 -14.297 1.00 0.55 H new ATOM 0 HG2 GLN A 33 10.965 -0.678 -17.102 1.00 0.66 H new ATOM 0 HG3 GLN A 33 10.508 -2.322 -16.704 1.00 0.66 H new ATOM 0 HE21 GLN A 33 8.768 -2.042 -18.365 1.00 1.28 H new ATOM 0 HE22 GLN A 33 7.280 -1.211 -17.899 1.00 1.28 H new ATOM 542 N ALA A 34 9.687 0.428 -12.596 1.00 0.25 N ATOM 543 CA ALA A 34 8.659 0.761 -11.575 1.00 0.24 C ATOM 544 C ALA A 34 8.315 2.259 -11.513 1.00 0.17 C ATOM 545 O ALA A 34 7.162 2.627 -11.549 1.00 0.23 O ATOM 546 CB ALA A 34 9.215 0.239 -10.258 1.00 0.39 C ATOM 0 H ALA A 34 10.356 -0.275 -12.281 1.00 0.25 H new ATOM 0 HA ALA A 34 7.706 0.296 -11.825 1.00 0.24 H new ATOM 0 HB1 ALA A 34 8.508 0.450 -9.456 1.00 0.39 H new ATOM 0 HB2 ALA A 34 9.372 -0.837 -10.330 1.00 0.39 H new ATOM 0 HB3 ALA A 34 10.164 0.730 -10.044 1.00 0.39 H new ATOM 552 N THR A 35 9.348 3.052 -11.431 1.00 0.20 N ATOM 553 CA THR A 35 9.230 4.557 -11.354 1.00 0.30 C ATOM 554 C THR A 35 9.208 5.252 -12.709 1.00 0.38 C ATOM 555 O THR A 35 8.374 6.106 -12.937 1.00 0.44 O ATOM 556 CB THR A 35 10.409 5.110 -10.549 1.00 0.43 C ATOM 557 OG1 THR A 35 11.529 4.635 -11.267 1.00 0.47 O ATOM 558 CG2 THR A 35 10.510 4.410 -9.235 1.00 0.39 C ATOM 0 H THR A 35 10.310 2.715 -11.413 1.00 0.20 H new ATOM 0 HA THR A 35 8.271 4.762 -10.877 1.00 0.30 H new ATOM 0 HB THR A 35 10.325 6.188 -10.407 1.00 0.43 H new ATOM 0 HG1 THR A 35 11.721 3.712 -11.000 1.00 0.47 H new ATOM 0 HG21 THR A 35 11.352 4.812 -8.672 1.00 0.39 H new ATOM 0 HG22 THR A 35 9.590 4.562 -8.670 1.00 0.39 H new ATOM 0 HG23 THR A 35 10.661 3.343 -9.402 1.00 0.39 H new ATOM 566 N VAL A 36 10.092 4.906 -13.604 1.00 0.38 N ATOM 567 CA VAL A 36 10.124 5.552 -14.957 1.00 0.50 C ATOM 568 C VAL A 36 9.057 4.920 -15.865 1.00 0.55 C ATOM 569 O VAL A 36 8.027 5.502 -16.164 1.00 0.65 O ATOM 570 CB VAL A 36 11.543 5.352 -15.647 1.00 0.49 C ATOM 571 CG1 VAL A 36 11.604 6.239 -16.928 1.00 0.62 C ATOM 572 CG2 VAL A 36 12.714 5.671 -14.751 1.00 0.42 C ATOM 0 H VAL A 36 10.806 4.193 -13.457 1.00 0.38 H new ATOM 0 HA VAL A 36 9.930 6.616 -14.822 1.00 0.50 H new ATOM 0 HB VAL A 36 11.633 4.293 -15.888 1.00 0.49 H new ATOM 0 HG11 VAL A 36 12.572 6.112 -17.412 1.00 0.62 H new ATOM 0 HG12 VAL A 36 10.812 5.940 -17.615 1.00 0.62 H new ATOM 0 HG13 VAL A 36 11.470 7.285 -16.653 1.00 0.62 H new ATOM 0 HG21 VAL A 36 13.644 5.509 -15.296 1.00 0.42 H new ATOM 0 HG22 VAL A 36 12.656 6.712 -14.433 1.00 0.42 H new ATOM 0 HG23 VAL A 36 12.689 5.023 -13.875 1.00 0.42 H new ATOM 582 N GLY A 37 9.379 3.709 -16.207 1.00 0.52 N ATOM 583 CA GLY A 37 8.581 2.799 -17.102 1.00 0.54 C ATOM 584 C GLY A 37 9.506 2.327 -18.238 1.00 0.51 C ATOM 585 O GLY A 37 10.234 1.367 -18.084 1.00 0.45 O ATOM 0 H GLY A 37 10.238 3.270 -15.876 1.00 0.52 H new ATOM 0 HA2 GLY A 37 8.202 1.946 -16.539 1.00 0.54 H new ATOM 0 HA3 GLY A 37 7.716 3.324 -17.507 1.00 0.54 H new ATOM 589 N ASP A 38 9.471 3.020 -19.339 1.00 0.57 N ATOM 590 CA ASP A 38 10.328 2.661 -20.505 1.00 0.55 C ATOM 591 C ASP A 38 11.686 3.379 -20.504 1.00 0.57 C ATOM 592 O ASP A 38 11.815 4.558 -20.233 1.00 0.76 O ATOM 593 CB ASP A 38 9.564 3.012 -21.815 1.00 0.49 C ATOM 594 CG ASP A 38 8.911 1.794 -22.424 1.00 0.29 C ATOM 595 OD1 ASP A 38 8.466 0.951 -21.666 1.00 0.84 O ATOM 596 OD2 ASP A 38 8.919 1.794 -23.643 1.00 1.49 O ATOM 0 H ASP A 38 8.875 3.835 -19.485 1.00 0.57 H new ATOM 0 HA ASP A 38 10.536 1.593 -20.438 1.00 0.55 H new ATOM 0 HB2 ASP A 38 8.804 3.764 -21.603 1.00 0.49 H new ATOM 0 HB3 ASP A 38 10.256 3.451 -22.533 1.00 0.49 H new ATOM 601 N ILE A 39 12.693 2.622 -20.840 1.00 0.46 N ATOM 602 CA ILE A 39 14.053 3.213 -20.870 1.00 0.47 C ATOM 603 C ILE A 39 14.219 4.110 -22.128 1.00 0.51 C ATOM 604 O ILE A 39 14.016 3.734 -23.275 1.00 0.55 O ATOM 605 CB ILE A 39 15.008 2.001 -20.792 1.00 0.45 C ATOM 606 CG1 ILE A 39 16.455 2.449 -20.498 1.00 0.57 C ATOM 607 CG2 ILE A 39 14.937 1.198 -22.085 1.00 0.50 C ATOM 608 CD1 ILE A 39 17.209 1.212 -19.980 1.00 0.59 C ATOM 0 H ILE A 39 12.633 1.635 -21.091 1.00 0.46 H new ATOM 0 HA ILE A 39 14.268 3.890 -20.044 1.00 0.47 H new ATOM 0 HB ILE A 39 14.690 1.363 -19.967 1.00 0.45 H new ATOM 0 HG12 ILE A 39 16.928 2.841 -21.398 1.00 0.57 H new ATOM 0 HG13 ILE A 39 16.469 3.248 -19.757 1.00 0.57 H new ATOM 0 HG21 ILE A 39 15.613 0.346 -22.021 1.00 0.50 H new ATOM 0 HG22 ILE A 39 13.918 0.842 -22.237 1.00 0.50 H new ATOM 0 HG23 ILE A 39 15.229 1.831 -22.923 1.00 0.50 H new ATOM 0 HD11 ILE A 39 18.241 1.482 -19.758 1.00 0.59 H new ATOM 0 HD12 ILE A 39 16.727 0.845 -19.074 1.00 0.59 H new ATOM 0 HD13 ILE A 39 17.194 0.432 -20.741 1.00 0.59 H new ATOM 620 N ASN A 40 14.571 5.320 -21.789 1.00 0.54 N ATOM 621 CA ASN A 40 14.812 6.422 -22.769 1.00 0.59 C ATOM 622 C ASN A 40 16.117 7.173 -22.378 1.00 0.74 C ATOM 623 O ASN A 40 16.306 8.347 -22.619 1.00 0.77 O ATOM 624 CB ASN A 40 13.529 7.287 -22.701 1.00 0.58 C ATOM 625 CG ASN A 40 13.306 7.879 -21.307 1.00 0.72 C ATOM 626 OD1 ASN A 40 13.711 8.976 -21.007 1.00 1.30 O ATOM 627 ND2 ASN A 40 12.676 7.241 -20.369 1.00 0.50 N ATOM 0 H ASN A 40 14.709 5.604 -20.819 1.00 0.54 H new ATOM 0 HA ASN A 40 14.975 6.094 -23.796 1.00 0.59 H new ATOM 0 HB2 ASN A 40 13.598 8.094 -23.430 1.00 0.58 H new ATOM 0 HB3 ASN A 40 12.668 6.679 -22.978 1.00 0.58 H new ATOM 0 HD21 ASN A 40 12.552 7.672 -19.453 1.00 0.50 H new ATOM 0 HD22 ASN A 40 12.304 6.308 -20.548 1.00 0.50 H new ATOM 634 N THR A 41 16.978 6.397 -21.778 1.00 0.85 N ATOM 635 CA THR A 41 18.311 6.872 -21.295 1.00 1.00 C ATOM 636 C THR A 41 19.433 6.199 -22.100 1.00 1.05 C ATOM 637 O THR A 41 19.192 5.347 -22.933 1.00 0.97 O ATOM 638 CB THR A 41 18.487 6.504 -19.810 1.00 0.97 C ATOM 639 OG1 THR A 41 18.582 5.091 -19.857 1.00 0.87 O ATOM 640 CG2 THR A 41 17.199 6.587 -18.982 1.00 0.82 C ATOM 0 H THR A 41 16.805 5.409 -21.594 1.00 0.85 H new ATOM 0 HA THR A 41 18.362 7.953 -21.422 1.00 1.00 H new ATOM 0 HB THR A 41 19.279 7.132 -19.402 1.00 0.97 H new ATOM 0 HG1 THR A 41 18.700 4.741 -18.949 1.00 0.87 H new ATOM 0 HG21 THR A 41 17.412 6.312 -17.949 1.00 0.82 H new ATOM 0 HG22 THR A 41 16.811 7.605 -19.014 1.00 0.82 H new ATOM 0 HG23 THR A 41 16.457 5.903 -19.394 1.00 0.82 H new ATOM 798 N GLY A 51 26.610 0.114 -15.523 1.00 0.49 N ATOM 799 CA GLY A 51 25.723 0.906 -16.370 1.00 0.62 C ATOM 800 C GLY A 51 24.955 0.042 -17.388 1.00 0.53 C ATOM 801 O GLY A 51 23.737 0.087 -17.400 1.00 0.68 O ATOM 0 HA2 GLY A 51 25.011 1.443 -15.743 1.00 0.62 H new ATOM 0 HA3 GLY A 51 26.308 1.656 -16.902 1.00 0.62 H new ATOM 805 N LYS A 52 25.644 -0.727 -18.201 1.00 0.37 N ATOM 806 CA LYS A 52 24.881 -1.567 -19.185 1.00 0.39 C ATOM 807 C LYS A 52 24.097 -2.600 -18.382 1.00 0.45 C ATOM 808 O LYS A 52 22.893 -2.552 -18.386 1.00 0.40 O ATOM 809 CB LYS A 52 25.864 -2.274 -20.188 1.00 0.49 C ATOM 810 CG LYS A 52 26.167 -1.293 -21.353 1.00 0.89 C ATOM 811 CD LYS A 52 27.259 -0.246 -20.966 1.00 1.63 C ATOM 812 CE LYS A 52 28.650 -0.811 -21.298 1.00 1.40 C ATOM 813 NZ LYS A 52 29.204 -0.038 -22.448 1.00 2.25 N ATOM 0 H LYS A 52 26.660 -0.810 -18.229 1.00 0.37 H new ATOM 0 HA LYS A 52 24.206 -0.949 -19.777 1.00 0.39 H new ATOM 0 HB2 LYS A 52 26.786 -2.555 -19.680 1.00 0.49 H new ATOM 0 HB3 LYS A 52 25.419 -3.192 -20.572 1.00 0.49 H new ATOM 0 HG2 LYS A 52 26.498 -1.857 -22.225 1.00 0.89 H new ATOM 0 HG3 LYS A 52 25.252 -0.774 -21.638 1.00 0.89 H new ATOM 0 HD2 LYS A 52 27.094 0.685 -21.508 1.00 1.63 H new ATOM 0 HD3 LYS A 52 27.194 -0.012 -19.903 1.00 1.63 H new ATOM 0 HE2 LYS A 52 29.309 -0.731 -20.433 1.00 1.40 H new ATOM 0 HE3 LYS A 52 28.581 -1.869 -21.549 1.00 1.40 H new ATOM 0 HZ1 LYS A 52 30.147 -0.404 -22.690 1.00 2.25 H new ATOM 0 HZ2 LYS A 52 28.573 -0.137 -23.269 1.00 2.25 H new ATOM 0 HZ3 LYS A 52 29.279 0.966 -22.187 1.00 2.25 H new ATOM 827 N ALA A 53 24.779 -3.483 -17.715 1.00 0.62 N ATOM 828 CA ALA A 53 24.149 -4.546 -16.882 1.00 0.76 C ATOM 829 C ALA A 53 22.729 -4.250 -16.392 1.00 0.81 C ATOM 830 O ALA A 53 21.823 -5.028 -16.599 1.00 0.93 O ATOM 831 CB ALA A 53 25.138 -4.796 -15.705 1.00 0.97 C ATOM 0 H ALA A 53 25.799 -3.513 -17.713 1.00 0.62 H new ATOM 0 HA ALA A 53 23.994 -5.433 -17.496 1.00 0.76 H new ATOM 0 HB1 ALA A 53 24.736 -5.569 -15.050 1.00 0.97 H new ATOM 0 HB2 ALA A 53 26.100 -5.120 -16.101 1.00 0.97 H new ATOM 0 HB3 ALA A 53 25.270 -3.874 -15.139 1.00 0.97 H new ATOM 837 N LYS A 54 22.580 -3.125 -15.760 1.00 0.81 N ATOM 838 CA LYS A 54 21.222 -2.750 -15.241 1.00 1.05 C ATOM 839 C LYS A 54 20.322 -2.130 -16.358 1.00 0.65 C ATOM 840 O LYS A 54 19.125 -2.333 -16.388 1.00 0.50 O ATOM 841 CB LYS A 54 21.526 -1.814 -14.133 1.00 1.50 C ATOM 842 CG LYS A 54 22.018 -0.568 -14.815 1.00 1.03 C ATOM 843 CD LYS A 54 22.886 0.176 -13.948 1.00 0.69 C ATOM 844 CE LYS A 54 22.722 1.642 -14.399 1.00 0.99 C ATOM 845 NZ LYS A 54 23.751 2.510 -13.807 1.00 0.50 N ATOM 0 H LYS A 54 23.323 -2.450 -15.577 1.00 0.81 H new ATOM 0 HA LYS A 54 20.637 -3.603 -14.898 1.00 1.05 H new ATOM 0 HB2 LYS A 54 20.641 -1.613 -13.530 1.00 1.50 H new ATOM 0 HB3 LYS A 54 22.282 -2.224 -13.463 1.00 1.50 H new ATOM 0 HG2 LYS A 54 22.549 -0.833 -15.729 1.00 1.03 H new ATOM 0 HG3 LYS A 54 21.170 0.051 -15.108 1.00 1.03 H new ATOM 0 HD2 LYS A 54 22.606 0.049 -12.902 1.00 0.69 H new ATOM 0 HD3 LYS A 54 23.920 -0.155 -14.043 1.00 0.69 H new ATOM 0 HE2 LYS A 54 22.780 1.697 -15.486 1.00 0.99 H new ATOM 0 HE3 LYS A 54 21.734 2.002 -14.114 1.00 0.99 H new ATOM 0 HZ1 LYS A 54 23.893 3.343 -14.413 1.00 0.50 H new ATOM 0 HZ2 LYS A 54 23.444 2.817 -12.862 1.00 0.50 H new ATOM 0 HZ3 LYS A 54 24.645 1.984 -13.727 1.00 0.50 H new ATOM 859 N TRP A 55 20.936 -1.380 -17.251 1.00 0.57 N ATOM 860 CA TRP A 55 20.237 -0.715 -18.385 1.00 0.42 C ATOM 861 C TRP A 55 19.771 -1.933 -19.169 1.00 0.15 C ATOM 862 O TRP A 55 18.590 -2.160 -19.202 1.00 0.21 O ATOM 863 CB TRP A 55 21.287 0.134 -19.129 1.00 0.59 C ATOM 864 CG TRP A 55 20.650 1.151 -20.068 1.00 0.71 C ATOM 865 CD1 TRP A 55 20.315 2.397 -19.650 1.00 0.83 C ATOM 866 CD2 TRP A 55 20.337 1.005 -21.382 1.00 0.75 C ATOM 867 NE1 TRP A 55 19.817 2.934 -20.743 1.00 0.92 N ATOM 868 CE2 TRP A 55 19.786 2.191 -21.830 1.00 0.91 C ATOM 869 CE3 TRP A 55 20.469 -0.046 -22.280 1.00 0.74 C ATOM 870 CZ2 TRP A 55 19.380 2.327 -23.135 1.00 1.04 C ATOM 871 CZ3 TRP A 55 20.059 0.099 -23.590 1.00 0.92 C ATOM 872 CH2 TRP A 55 19.514 1.287 -24.018 1.00 1.06 C ATOM 0 H TRP A 55 21.940 -1.200 -17.230 1.00 0.57 H new ATOM 0 HA TRP A 55 19.415 -0.037 -18.155 1.00 0.42 H new ATOM 0 HB2 TRP A 55 21.911 0.655 -18.402 1.00 0.59 H new ATOM 0 HB3 TRP A 55 21.943 -0.523 -19.700 1.00 0.59 H new ATOM 0 HD1 TRP A 55 20.428 2.836 -18.670 1.00 0.83 H new ATOM 0 HE1 TRP A 55 19.467 3.892 -20.748 1.00 0.92 H new ATOM 0 HE3 TRP A 55 20.895 -0.982 -21.951 1.00 0.74 H new ATOM 0 HZ2 TRP A 55 18.952 3.261 -23.468 1.00 1.04 H new ATOM 0 HZ3 TRP A 55 20.167 -0.724 -24.282 1.00 0.92 H new ATOM 0 HH2 TRP A 55 19.194 1.400 -25.043 1.00 1.06 H new ATOM 883 N ASP A 56 20.698 -2.661 -19.734 1.00 0.29 N ATOM 884 CA ASP A 56 20.438 -3.899 -20.533 1.00 0.58 C ATOM 885 C ASP A 56 19.241 -4.711 -19.981 1.00 0.78 C ATOM 886 O ASP A 56 18.478 -5.288 -20.731 1.00 0.97 O ATOM 887 CB ASP A 56 21.835 -4.595 -20.521 1.00 0.67 C ATOM 888 CG ASP A 56 22.414 -4.376 -21.902 1.00 0.84 C ATOM 889 OD1 ASP A 56 22.054 -5.105 -22.804 1.00 1.23 O ATOM 890 OD2 ASP A 56 23.202 -3.452 -22.021 1.00 1.37 O ATOM 0 H ASP A 56 21.689 -2.431 -19.668 1.00 0.29 H new ATOM 0 HA ASP A 56 20.101 -3.736 -21.557 1.00 0.58 H new ATOM 0 HB2 ASP A 56 22.480 -4.166 -19.754 1.00 0.67 H new ATOM 0 HB3 ASP A 56 21.741 -5.658 -20.300 1.00 0.67 H new ATOM 895 N ALA A 57 19.124 -4.714 -18.683 1.00 0.89 N ATOM 896 CA ALA A 57 18.038 -5.418 -17.973 1.00 1.08 C ATOM 897 C ALA A 57 16.774 -4.504 -17.977 1.00 0.99 C ATOM 898 O ALA A 57 15.706 -4.921 -18.354 1.00 1.34 O ATOM 899 CB ALA A 57 18.545 -5.707 -16.557 1.00 1.13 C ATOM 0 H ALA A 57 19.774 -4.231 -18.063 1.00 0.89 H new ATOM 0 HA ALA A 57 17.762 -6.359 -18.448 1.00 1.08 H new ATOM 0 HB1 ALA A 57 17.772 -6.229 -15.993 1.00 1.13 H new ATOM 0 HB2 ALA A 57 19.438 -6.330 -16.610 1.00 1.13 H new ATOM 0 HB3 ALA A 57 18.787 -4.768 -16.058 1.00 1.13 H new ATOM 905 N TRP A 58 16.836 -3.261 -17.574 1.00 0.63 N ATOM 906 CA TRP A 58 15.574 -2.404 -17.606 1.00 0.62 C ATOM 907 C TRP A 58 15.062 -2.440 -19.084 1.00 0.67 C ATOM 908 O TRP A 58 13.898 -2.540 -19.415 1.00 0.89 O ATOM 909 CB TRP A 58 15.954 -0.977 -17.143 1.00 0.51 C ATOM 910 CG TRP A 58 14.778 0.002 -17.283 1.00 0.51 C ATOM 911 CD1 TRP A 58 13.458 -0.318 -17.448 1.00 0.62 C ATOM 912 CD2 TRP A 58 14.911 1.344 -17.275 1.00 0.47 C ATOM 913 NE1 TRP A 58 12.883 0.875 -17.534 1.00 0.59 N ATOM 914 CE2 TRP A 58 13.677 1.924 -17.442 1.00 0.54 C ATOM 915 CE3 TRP A 58 16.030 2.142 -17.130 1.00 0.44 C ATOM 916 CZ2 TRP A 58 13.556 3.289 -17.474 1.00 0.59 C ATOM 917 CZ3 TRP A 58 15.898 3.514 -17.159 1.00 0.55 C ATOM 918 CH2 TRP A 58 14.670 4.082 -17.334 1.00 0.61 C ATOM 0 H TRP A 58 17.676 -2.796 -17.229 1.00 0.63 H new ATOM 0 HA TRP A 58 14.785 -2.761 -16.945 1.00 0.62 H new ATOM 0 HB2 TRP A 58 16.280 -1.007 -16.103 1.00 0.51 H new ATOM 0 HB3 TRP A 58 16.798 -0.617 -17.731 1.00 0.51 H new ATOM 0 HD1 TRP A 58 13.000 -1.295 -17.496 1.00 0.62 H new ATOM 0 HE1 TRP A 58 11.876 0.976 -17.665 1.00 0.59 H new ATOM 0 HE3 TRP A 58 17.003 1.693 -16.995 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 12.585 3.742 -17.609 1.00 0.59 H new ATOM 0 HZ3 TRP A 58 16.770 4.141 -17.043 1.00 0.55 H new ATOM 0 HH2 TRP A 58 14.573 5.157 -17.363 1.00 0.61 H new ATOM 929 N ASN A 59 16.034 -2.361 -19.939 1.00 0.44 N ATOM 930 CA ASN A 59 15.999 -2.377 -21.432 1.00 0.56 C ATOM 931 C ASN A 59 15.221 -3.631 -21.896 1.00 0.69 C ATOM 932 O ASN A 59 14.804 -3.690 -23.041 1.00 0.97 O ATOM 933 CB ASN A 59 17.524 -2.315 -21.762 1.00 0.56 C ATOM 934 CG ASN A 59 18.042 -2.480 -23.166 1.00 1.09 C ATOM 935 OD1 ASN A 59 19.227 -2.564 -23.381 1.00 2.78 O ATOM 936 ND2 ASN A 59 17.271 -2.533 -24.181 1.00 0.75 N ATOM 0 H ASN A 59 16.994 -2.273 -19.606 1.00 0.44 H new ATOM 0 HA ASN A 59 15.474 -1.574 -21.948 1.00 0.56 H new ATOM 0 HB2 ASN A 59 17.884 -1.350 -21.405 1.00 0.56 H new ATOM 0 HB3 ASN A 59 18.009 -3.080 -21.156 1.00 0.56 H new ATOM 0 HD21 ASN A 59 17.665 -2.641 -25.116 1.00 0.75 H new ATOM 0 HD22 ASN A 59 16.261 -2.467 -24.058 1.00 0.75 H new ATOM 943 N GLU A 60 15.080 -4.545 -20.957 1.00 0.61 N ATOM 944 CA GLU A 60 14.364 -5.856 -21.133 1.00 0.64 C ATOM 945 C GLU A 60 12.931 -5.724 -20.548 1.00 0.57 C ATOM 946 O GLU A 60 11.962 -6.266 -21.048 1.00 0.63 O ATOM 947 CB GLU A 60 15.200 -6.935 -20.396 1.00 0.67 C ATOM 948 CG GLU A 60 14.621 -8.350 -20.652 1.00 0.75 C ATOM 949 CD GLU A 60 15.132 -9.355 -19.618 1.00 0.47 C ATOM 950 OE1 GLU A 60 14.827 -9.111 -18.459 1.00 1.48 O ATOM 951 OE2 GLU A 60 15.784 -10.289 -20.045 1.00 0.64 O ATOM 0 H GLU A 60 15.458 -4.423 -20.017 1.00 0.61 H new ATOM 0 HA GLU A 60 14.264 -6.138 -22.181 1.00 0.64 H new ATOM 0 HB2 GLU A 60 16.235 -6.894 -20.735 1.00 0.67 H new ATOM 0 HB3 GLU A 60 15.207 -6.728 -19.326 1.00 0.67 H new ATOM 0 HG2 GLU A 60 13.532 -8.311 -20.618 1.00 0.75 H new ATOM 0 HG3 GLU A 60 14.897 -8.683 -21.653 1.00 0.75 H new ATOM 958 N LEU A 61 12.870 -4.977 -19.479 1.00 0.49 N ATOM 959 CA LEU A 61 11.586 -4.693 -18.739 1.00 0.43 C ATOM 960 C LEU A 61 10.704 -3.658 -19.436 1.00 0.39 C ATOM 961 O LEU A 61 9.528 -3.536 -19.152 1.00 0.48 O ATOM 962 CB LEU A 61 11.860 -4.137 -17.378 1.00 0.49 C ATOM 963 CG LEU A 61 12.899 -4.883 -16.603 1.00 0.49 C ATOM 964 CD1 LEU A 61 12.944 -4.198 -15.278 1.00 0.51 C ATOM 965 CD2 LEU A 61 12.564 -6.342 -16.531 1.00 0.48 C ATOM 0 H LEU A 61 13.688 -4.530 -19.065 1.00 0.49 H new ATOM 0 HA LEU A 61 11.075 -5.655 -18.698 1.00 0.43 H new ATOM 0 HB2 LEU A 61 12.176 -3.099 -17.480 1.00 0.49 H new ATOM 0 HB3 LEU A 61 10.932 -4.133 -16.807 1.00 0.49 H new ATOM 0 HG LEU A 61 13.885 -4.866 -17.067 1.00 0.49 H new ATOM 0 HD11 LEU A 61 13.685 -4.683 -14.642 1.00 0.51 H new ATOM 0 HD12 LEU A 61 13.216 -3.152 -15.418 1.00 0.51 H new ATOM 0 HD13 LEU A 61 11.964 -4.258 -14.804 1.00 0.51 H new ATOM 0 HD21 LEU A 61 13.334 -6.864 -15.963 1.00 0.48 H new ATOM 0 HD22 LEU A 61 11.600 -6.470 -16.039 1.00 0.48 H new ATOM 0 HD23 LEU A 61 12.515 -6.754 -17.539 1.00 0.48 H new ATOM 977 N LYS A 62 11.304 -2.899 -20.297 1.00 0.45 N ATOM 978 CA LYS A 62 10.569 -1.863 -21.073 1.00 0.47 C ATOM 979 C LYS A 62 9.252 -2.575 -21.535 1.00 0.56 C ATOM 980 O LYS A 62 9.231 -3.758 -21.821 1.00 1.80 O ATOM 981 CB LYS A 62 11.454 -1.539 -22.199 1.00 0.50 C ATOM 982 CG LYS A 62 11.016 -0.265 -22.820 1.00 0.55 C ATOM 983 CD LYS A 62 11.984 0.036 -23.976 1.00 0.79 C ATOM 984 CE LYS A 62 11.781 1.456 -24.476 1.00 1.73 C ATOM 985 NZ LYS A 62 13.030 1.857 -25.206 1.00 2.29 N ATOM 0 H LYS A 62 12.301 -2.952 -20.504 1.00 0.45 H new ATOM 0 HA LYS A 62 10.317 -0.946 -20.540 1.00 0.47 H new ATOM 0 HB2 LYS A 62 12.484 -1.452 -21.853 1.00 0.50 H new ATOM 0 HB3 LYS A 62 11.432 -2.342 -22.936 1.00 0.50 H new ATOM 0 HG2 LYS A 62 9.993 -0.348 -23.187 1.00 0.55 H new ATOM 0 HG3 LYS A 62 11.028 0.543 -22.089 1.00 0.55 H new ATOM 0 HD2 LYS A 62 13.013 -0.096 -23.642 1.00 0.79 H new ATOM 0 HD3 LYS A 62 11.821 -0.670 -24.790 1.00 0.79 H new ATOM 0 HE2 LYS A 62 10.916 1.510 -25.137 1.00 1.73 H new ATOM 0 HE3 LYS A 62 11.589 2.133 -23.643 1.00 1.73 H new ATOM 0 HZ1 LYS A 62 13.547 2.565 -24.646 1.00 2.29 H new ATOM 0 HZ2 LYS A 62 13.632 1.021 -25.349 1.00 2.29 H new ATOM 0 HZ3 LYS A 62 12.777 2.263 -26.129 1.00 2.29 H new ATOM 999 N GLY A 63 8.183 -1.861 -21.618 1.00 0.91 N ATOM 1000 CA GLY A 63 6.890 -2.521 -22.036 1.00 0.54 C ATOM 1001 C GLY A 63 6.134 -3.090 -20.817 1.00 0.52 C ATOM 1002 O GLY A 63 4.927 -3.226 -20.861 1.00 0.91 O ATOM 0 H GLY A 63 8.125 -0.862 -21.422 1.00 0.91 H new ATOM 0 HA2 GLY A 63 6.260 -1.797 -22.553 1.00 0.54 H new ATOM 0 HA3 GLY A 63 7.100 -3.323 -22.744 1.00 0.54 H new ATOM 1006 N THR A 64 6.847 -3.424 -19.764 1.00 0.32 N ATOM 1007 CA THR A 64 6.187 -3.992 -18.513 1.00 0.28 C ATOM 1008 C THR A 64 5.331 -2.942 -17.818 1.00 0.27 C ATOM 1009 O THR A 64 5.526 -1.750 -17.996 1.00 0.18 O ATOM 1010 CB THR A 64 7.258 -4.493 -17.454 1.00 0.25 C ATOM 1011 OG1 THR A 64 7.381 -5.886 -17.667 1.00 0.29 O ATOM 1012 CG2 THR A 64 6.894 -4.496 -15.953 1.00 0.31 C ATOM 0 H THR A 64 7.861 -3.332 -19.705 1.00 0.32 H new ATOM 0 HA THR A 64 5.576 -4.828 -18.852 1.00 0.28 H new ATOM 0 HB THR A 64 8.094 -3.812 -17.610 1.00 0.25 H new ATOM 0 HG1 THR A 64 8.035 -6.256 -17.039 1.00 0.29 H new ATOM 0 HG21 THR A 64 7.740 -4.868 -15.374 1.00 0.31 H new ATOM 0 HG22 THR A 64 6.654 -3.481 -15.635 1.00 0.31 H new ATOM 0 HG23 THR A 64 6.031 -5.141 -15.789 1.00 0.31 H new ATOM 1020 N SER A 65 4.409 -3.417 -17.023 1.00 0.39 N ATOM 1021 CA SER A 65 3.517 -2.496 -16.284 1.00 0.41 C ATOM 1022 C SER A 65 4.113 -2.426 -14.896 1.00 0.50 C ATOM 1023 O SER A 65 3.964 -3.271 -14.037 1.00 1.02 O ATOM 1024 CB SER A 65 2.140 -3.009 -16.193 1.00 0.68 C ATOM 1025 OG SER A 65 2.249 -4.405 -15.935 1.00 0.54 O ATOM 0 H SER A 65 4.240 -4.409 -16.857 1.00 0.39 H new ATOM 0 HA SER A 65 3.453 -1.530 -16.786 1.00 0.41 H new ATOM 0 HB2 SER A 65 1.591 -2.508 -15.396 1.00 0.68 H new ATOM 0 HB3 SER A 65 1.595 -2.826 -17.119 1.00 0.68 H new ATOM 0 HG SER A 65 2.873 -4.553 -15.194 1.00 0.54 H new ATOM 1031 N LYS A 66 4.766 -1.321 -14.819 1.00 0.58 N ATOM 1032 CA LYS A 66 5.554 -0.782 -13.674 1.00 0.71 C ATOM 1033 C LYS A 66 5.362 -1.419 -12.300 1.00 0.61 C ATOM 1034 O LYS A 66 6.282 -1.858 -11.637 1.00 0.90 O ATOM 1035 CB LYS A 66 5.238 0.744 -13.671 1.00 0.83 C ATOM 1036 CG LYS A 66 5.859 1.337 -14.977 1.00 1.09 C ATOM 1037 CD LYS A 66 5.641 2.854 -15.134 1.00 1.08 C ATOM 1038 CE LYS A 66 6.269 3.591 -13.969 1.00 0.99 C ATOM 1039 NZ LYS A 66 6.368 5.049 -14.307 1.00 0.78 N ATOM 0 H LYS A 66 4.789 -0.681 -15.613 1.00 0.58 H new ATOM 0 HA LYS A 66 6.603 -1.027 -13.838 1.00 0.71 H new ATOM 0 HB2 LYS A 66 4.162 0.916 -13.642 1.00 0.83 H new ATOM 0 HB3 LYS A 66 5.661 1.225 -12.789 1.00 0.83 H new ATOM 0 HG2 LYS A 66 6.929 1.130 -14.986 1.00 1.09 H new ATOM 0 HG3 LYS A 66 5.428 0.826 -15.838 1.00 1.09 H new ATOM 0 HD2 LYS A 66 6.079 3.198 -16.071 1.00 1.08 H new ATOM 0 HD3 LYS A 66 4.574 3.073 -15.181 1.00 1.08 H new ATOM 0 HE2 LYS A 66 5.669 3.453 -13.069 1.00 0.99 H new ATOM 0 HE3 LYS A 66 7.259 3.186 -13.757 1.00 0.99 H new ATOM 0 HZ1 LYS A 66 6.975 5.526 -13.610 1.00 0.78 H new ATOM 0 HZ2 LYS A 66 6.779 5.158 -15.256 1.00 0.78 H new ATOM 0 HZ3 LYS A 66 5.419 5.475 -14.289 1.00 0.78 H new ATOM 1053 N GLU A 67 4.148 -1.462 -11.908 1.00 0.30 N ATOM 1054 CA GLU A 67 3.776 -2.041 -10.591 1.00 0.36 C ATOM 1055 C GLU A 67 4.210 -3.497 -10.413 1.00 0.16 C ATOM 1056 O GLU A 67 4.616 -3.927 -9.346 1.00 0.05 O ATOM 1057 CB GLU A 67 2.316 -1.761 -10.555 1.00 0.56 C ATOM 1058 CG GLU A 67 2.150 -0.231 -10.018 1.00 0.86 C ATOM 1059 CD GLU A 67 2.909 0.861 -10.801 1.00 2.13 C ATOM 1060 OE1 GLU A 67 4.120 0.823 -10.855 1.00 3.29 O ATOM 1061 OE2 GLU A 67 2.205 1.720 -11.288 1.00 2.21 O ATOM 0 H GLU A 67 3.360 -1.112 -12.453 1.00 0.30 H new ATOM 0 HA GLU A 67 4.291 -1.611 -9.732 1.00 0.36 H new ATOM 0 HB2 GLU A 67 1.875 -1.874 -11.545 1.00 0.56 H new ATOM 0 HB3 GLU A 67 1.803 -2.461 -9.896 1.00 0.56 H new ATOM 0 HG2 GLU A 67 1.089 0.020 -10.025 1.00 0.86 H new ATOM 0 HG3 GLU A 67 2.479 -0.197 -8.979 1.00 0.86 H new ATOM 1068 N ASP A 68 4.129 -4.256 -11.464 1.00 0.14 N ATOM 1069 CA ASP A 68 4.567 -5.686 -11.340 1.00 0.16 C ATOM 1070 C ASP A 68 6.082 -5.648 -11.114 1.00 0.18 C ATOM 1071 O ASP A 68 6.646 -6.524 -10.488 1.00 0.42 O ATOM 1072 CB ASP A 68 4.175 -6.424 -12.624 1.00 0.36 C ATOM 1073 CG ASP A 68 3.200 -7.535 -12.271 1.00 0.86 C ATOM 1074 OD1 ASP A 68 3.660 -8.604 -11.910 1.00 1.72 O ATOM 1075 OD2 ASP A 68 2.008 -7.309 -12.342 1.00 1.18 O ATOM 0 H ASP A 68 3.790 -3.969 -12.382 1.00 0.14 H new ATOM 0 HA ASP A 68 4.095 -6.217 -10.513 1.00 0.16 H new ATOM 0 HB2 ASP A 68 3.719 -5.733 -13.333 1.00 0.36 H new ATOM 0 HB3 ASP A 68 5.060 -6.838 -13.107 1.00 0.36 H new ATOM 1080 N ALA A 69 6.723 -4.637 -11.630 1.00 0.10 N ATOM 1081 CA ALA A 69 8.205 -4.567 -11.410 1.00 0.40 C ATOM 1082 C ALA A 69 8.358 -4.378 -9.876 1.00 0.44 C ATOM 1083 O ALA A 69 9.140 -5.065 -9.231 1.00 0.54 O ATOM 1084 CB ALA A 69 8.787 -3.360 -12.142 1.00 0.59 C ATOM 0 H ALA A 69 6.310 -3.880 -12.175 1.00 0.10 H new ATOM 0 HA ALA A 69 8.724 -5.451 -11.779 1.00 0.40 H new ATOM 0 HB1 ALA A 69 9.863 -3.318 -11.976 1.00 0.59 H new ATOM 0 HB2 ALA A 69 8.588 -3.451 -13.210 1.00 0.59 H new ATOM 0 HB3 ALA A 69 8.326 -2.448 -11.764 1.00 0.59 H new ATOM 1090 N MET A 70 7.598 -3.434 -9.373 1.00 0.39 N ATOM 1091 CA MET A 70 7.616 -3.123 -7.911 1.00 0.37 C ATOM 1092 C MET A 70 7.554 -4.408 -7.074 1.00 0.30 C ATOM 1093 O MET A 70 8.443 -4.626 -6.276 1.00 0.33 O ATOM 1094 CB MET A 70 6.405 -2.258 -7.498 1.00 0.39 C ATOM 1095 CG MET A 70 6.302 -0.879 -8.153 1.00 0.44 C ATOM 1096 SD MET A 70 4.808 0.004 -7.643 1.00 0.47 S ATOM 1097 CE MET A 70 5.317 1.688 -8.050 1.00 0.48 C ATOM 0 H MET A 70 6.958 -2.860 -9.922 1.00 0.39 H new ATOM 0 HA MET A 70 8.545 -2.584 -7.727 1.00 0.37 H new ATOM 0 HB2 MET A 70 5.495 -2.813 -7.725 1.00 0.39 H new ATOM 0 HB3 MET A 70 6.435 -2.122 -6.417 1.00 0.39 H new ATOM 0 HG2 MET A 70 7.180 -0.287 -7.892 1.00 0.44 H new ATOM 0 HG3 MET A 70 6.304 -0.992 -9.237 1.00 0.44 H new ATOM 0 HE1 MET A 70 4.456 2.353 -7.988 1.00 0.48 H new ATOM 0 HE2 MET A 70 6.082 2.017 -7.346 1.00 0.48 H new ATOM 0 HE3 MET A 70 5.721 1.711 -9.062 1.00 0.48 H new ATOM 1107 N LYS A 71 6.494 -5.151 -7.310 1.00 0.20 N ATOM 1108 CA LYS A 71 6.182 -6.468 -6.636 1.00 0.10 C ATOM 1109 C LYS A 71 7.420 -7.205 -6.107 1.00 0.27 C ATOM 1110 O LYS A 71 7.445 -7.687 -4.999 1.00 0.50 O ATOM 1111 CB LYS A 71 5.441 -7.372 -7.651 1.00 0.20 C ATOM 1112 CG LYS A 71 3.901 -7.268 -7.607 1.00 0.39 C ATOM 1113 CD LYS A 71 3.422 -8.253 -8.722 1.00 1.25 C ATOM 1114 CE LYS A 71 1.921 -8.179 -8.989 1.00 2.33 C ATOM 1115 NZ LYS A 71 1.641 -8.985 -10.224 1.00 3.17 N ATOM 0 H LYS A 71 5.783 -4.879 -7.989 1.00 0.20 H new ATOM 0 HA LYS A 71 5.567 -6.246 -5.764 1.00 0.10 H new ATOM 0 HB2 LYS A 71 5.780 -7.120 -8.656 1.00 0.20 H new ATOM 0 HB3 LYS A 71 5.726 -8.408 -7.469 1.00 0.20 H new ATOM 0 HG2 LYS A 71 3.510 -7.551 -6.630 1.00 0.39 H new ATOM 0 HG3 LYS A 71 3.564 -6.250 -7.802 1.00 0.39 H new ATOM 0 HD2 LYS A 71 3.959 -8.035 -9.645 1.00 1.25 H new ATOM 0 HD3 LYS A 71 3.683 -9.271 -8.434 1.00 1.25 H new ATOM 0 HE2 LYS A 71 1.361 -8.571 -8.140 1.00 2.33 H new ATOM 0 HE3 LYS A 71 1.607 -7.144 -9.127 1.00 2.33 H new ATOM 0 HZ1 LYS A 71 1.098 -8.409 -10.899 1.00 3.17 H new ATOM 0 HZ2 LYS A 71 2.539 -9.275 -10.661 1.00 3.17 H new ATOM 0 HZ3 LYS A 71 1.091 -9.831 -9.970 1.00 3.17 H new ATOM 1129 N ALA A 72 8.400 -7.255 -6.956 1.00 0.37 N ATOM 1130 CA ALA A 72 9.709 -7.916 -6.668 1.00 0.48 C ATOM 1131 C ALA A 72 10.717 -6.831 -6.249 1.00 0.45 C ATOM 1132 O ALA A 72 11.394 -7.051 -5.267 1.00 0.54 O ATOM 1133 CB ALA A 72 10.082 -8.653 -7.958 1.00 0.58 C ATOM 0 H ALA A 72 8.348 -6.844 -7.888 1.00 0.37 H new ATOM 0 HA ALA A 72 9.685 -8.633 -5.847 1.00 0.48 H new ATOM 0 HB1 ALA A 72 11.035 -9.164 -7.822 1.00 0.58 H new ATOM 0 HB2 ALA A 72 9.309 -9.384 -8.196 1.00 0.58 H new ATOM 0 HB3 ALA A 72 10.167 -7.936 -8.775 1.00 0.58 H new ATOM 1139 N TYR A 73 10.819 -5.720 -6.965 1.00 0.40 N ATOM 1140 CA TYR A 73 11.794 -4.638 -6.565 1.00 0.38 C ATOM 1141 C TYR A 73 11.905 -4.591 -5.053 1.00 0.36 C ATOM 1142 O TYR A 73 12.943 -4.791 -4.458 1.00 0.36 O ATOM 1143 CB TYR A 73 11.304 -3.293 -7.012 1.00 0.37 C ATOM 1144 CG TYR A 73 12.199 -2.187 -6.434 1.00 0.26 C ATOM 1145 CD1 TYR A 73 13.474 -2.003 -6.919 1.00 1.71 C ATOM 1146 CD2 TYR A 73 11.724 -1.338 -5.443 1.00 1.65 C ATOM 1147 CE1 TYR A 73 14.254 -0.985 -6.427 1.00 1.65 C ATOM 1148 CE2 TYR A 73 12.516 -0.323 -4.970 1.00 1.67 C ATOM 1149 CZ TYR A 73 13.771 -0.154 -5.467 1.00 0.17 C ATOM 1150 OH TYR A 73 14.552 0.874 -5.028 1.00 0.31 O ATOM 0 H TYR A 73 10.272 -5.519 -7.802 1.00 0.40 H new ATOM 0 HA TYR A 73 12.754 -4.864 -7.028 1.00 0.38 H new ATOM 0 HB2 TYR A 73 11.305 -3.240 -8.101 1.00 0.37 H new ATOM 0 HB3 TYR A 73 10.274 -3.146 -6.686 1.00 0.37 H new ATOM 0 HD1 TYR A 73 13.861 -2.658 -7.685 1.00 1.71 H new ATOM 0 HD2 TYR A 73 10.730 -1.477 -5.044 1.00 1.65 H new ATOM 0 HE1 TYR A 73 15.256 -0.845 -6.805 1.00 1.65 H new ATOM 0 HE2 TYR A 73 12.144 0.341 -4.204 1.00 1.67 H new ATOM 0 HH TYR A 73 14.485 1.626 -5.653 1.00 0.31 H new ATOM 1160 N ILE A 74 10.728 -4.325 -4.553 1.00 0.30 N ATOM 1161 CA ILE A 74 10.479 -4.196 -3.103 1.00 0.24 C ATOM 1162 C ILE A 74 11.135 -5.377 -2.399 1.00 0.32 C ATOM 1163 O ILE A 74 12.126 -5.217 -1.736 1.00 0.30 O ATOM 1164 CB ILE A 74 8.987 -4.186 -2.899 1.00 0.22 C ATOM 1165 CG1 ILE A 74 8.351 -2.983 -3.563 1.00 0.22 C ATOM 1166 CG2 ILE A 74 8.801 -3.984 -1.406 1.00 0.18 C ATOM 1167 CD1 ILE A 74 6.835 -3.202 -3.624 1.00 0.29 C ATOM 0 H ILE A 74 9.896 -4.187 -5.126 1.00 0.30 H new ATOM 0 HA ILE A 74 10.899 -3.278 -2.691 1.00 0.24 H new ATOM 0 HB ILE A 74 8.544 -5.096 -3.304 1.00 0.22 H new ATOM 0 HG12 ILE A 74 8.580 -2.077 -3.003 1.00 0.22 H new ATOM 0 HG13 ILE A 74 8.754 -2.848 -4.567 1.00 0.22 H new ATOM 0 HG21 ILE A 74 7.737 -3.965 -1.171 1.00 0.18 H new ATOM 0 HG22 ILE A 74 9.277 -4.803 -0.866 1.00 0.18 H new ATOM 0 HG23 ILE A 74 9.256 -3.039 -1.107 1.00 0.18 H new ATOM 0 HD11 ILE A 74 6.362 -2.343 -4.100 1.00 0.29 H new ATOM 0 HD12 ILE A 74 6.620 -4.101 -4.202 1.00 0.29 H new ATOM 0 HD13 ILE A 74 6.443 -3.318 -2.613 1.00 0.29 H new ATOM 1179 N ASP A 75 10.580 -6.535 -2.543 1.00 0.44 N ATOM 1180 CA ASP A 75 11.137 -7.761 -1.916 1.00 0.51 C ATOM 1181 C ASP A 75 12.690 -7.770 -1.991 1.00 0.52 C ATOM 1182 O ASP A 75 13.413 -7.987 -1.037 1.00 0.67 O ATOM 1183 CB ASP A 75 10.342 -8.819 -2.696 1.00 0.51 C ATOM 1184 CG ASP A 75 8.944 -8.892 -2.075 1.00 0.65 C ATOM 1185 OD1 ASP A 75 8.335 -7.834 -2.101 1.00 1.38 O ATOM 1186 OD2 ASP A 75 8.575 -9.960 -1.623 1.00 0.83 O ATOM 0 H ASP A 75 9.733 -6.693 -3.088 1.00 0.44 H new ATOM 0 HA ASP A 75 11.020 -7.905 -0.842 1.00 0.51 H new ATOM 0 HB2 ASP A 75 10.280 -8.552 -3.751 1.00 0.51 H new ATOM 0 HB3 ASP A 75 10.837 -9.788 -2.641 1.00 0.51 H new ATOM 1191 N LYS A 76 13.156 -7.493 -3.173 1.00 0.42 N ATOM 1192 CA LYS A 76 14.636 -7.444 -3.473 1.00 0.32 C ATOM 1193 C LYS A 76 15.280 -6.383 -2.569 1.00 0.32 C ATOM 1194 O LYS A 76 16.361 -6.554 -2.037 1.00 0.33 O ATOM 1195 CB LYS A 76 14.700 -7.218 -5.017 1.00 0.22 C ATOM 1196 CG LYS A 76 15.483 -8.439 -5.591 1.00 0.85 C ATOM 1197 CD LYS A 76 16.994 -8.306 -5.239 1.00 1.29 C ATOM 1198 CE LYS A 76 17.763 -9.521 -5.754 1.00 1.08 C ATOM 1199 NZ LYS A 76 17.429 -10.724 -4.934 1.00 0.71 N ATOM 0 H LYS A 76 12.563 -7.290 -3.978 1.00 0.42 H new ATOM 0 HA LYS A 76 15.215 -8.340 -3.248 1.00 0.32 H new ATOM 0 HB2 LYS A 76 13.700 -7.158 -5.446 1.00 0.22 H new ATOM 0 HB3 LYS A 76 15.205 -6.282 -5.255 1.00 0.22 H new ATOM 0 HG2 LYS A 76 15.084 -9.366 -5.179 1.00 0.85 H new ATOM 0 HG3 LYS A 76 15.355 -8.490 -6.672 1.00 0.85 H new ATOM 0 HD2 LYS A 76 17.399 -7.396 -5.681 1.00 1.29 H new ATOM 0 HD3 LYS A 76 17.117 -8.219 -4.160 1.00 1.29 H new ATOM 0 HE2 LYS A 76 17.514 -9.703 -6.799 1.00 1.08 H new ATOM 0 HE3 LYS A 76 18.835 -9.328 -5.711 1.00 1.08 H new ATOM 0 HZ1 LYS A 76 17.944 -11.549 -5.302 1.00 0.71 H new ATOM 0 HZ2 LYS A 76 17.704 -10.557 -3.945 1.00 0.71 H new ATOM 0 HZ3 LYS A 76 16.406 -10.904 -4.983 1.00 0.71 H new ATOM 1213 N VAL A 77 14.603 -5.294 -2.410 1.00 0.35 N ATOM 1214 CA VAL A 77 15.102 -4.189 -1.529 1.00 0.32 C ATOM 1215 C VAL A 77 15.045 -4.755 -0.096 1.00 0.39 C ATOM 1216 O VAL A 77 15.992 -4.597 0.655 1.00 0.46 O ATOM 1217 CB VAL A 77 14.180 -2.955 -1.614 1.00 0.25 C ATOM 1218 CG1 VAL A 77 14.649 -1.960 -0.538 1.00 0.21 C ATOM 1219 CG2 VAL A 77 14.246 -2.292 -3.011 1.00 0.24 C ATOM 0 H VAL A 77 13.705 -5.108 -2.857 1.00 0.35 H new ATOM 0 HA VAL A 77 16.103 -3.874 -1.825 1.00 0.32 H new ATOM 0 HB VAL A 77 13.145 -3.256 -1.452 1.00 0.25 H new ATOM 0 HG11 VAL A 77 14.020 -1.070 -0.566 1.00 0.21 H new ATOM 0 HG12 VAL A 77 14.576 -2.426 0.445 1.00 0.21 H new ATOM 0 HG13 VAL A 77 15.684 -1.678 -0.730 1.00 0.21 H new ATOM 0 HG21 VAL A 77 13.584 -1.426 -3.035 1.00 0.24 H new ATOM 0 HG22 VAL A 77 15.268 -1.973 -3.214 1.00 0.24 H new ATOM 0 HG23 VAL A 77 13.932 -3.009 -3.769 1.00 0.24 H new ATOM 1229 N GLU A 78 13.934 -5.382 0.233 1.00 0.37 N ATOM 1230 CA GLU A 78 13.684 -6.014 1.572 1.00 0.40 C ATOM 1231 C GLU A 78 14.966 -6.781 1.915 1.00 0.55 C ATOM 1232 O GLU A 78 15.630 -6.528 2.904 1.00 0.61 O ATOM 1233 CB GLU A 78 12.443 -6.966 1.443 1.00 0.32 C ATOM 1234 CG GLU A 78 11.281 -6.563 2.399 1.00 0.41 C ATOM 1235 CD GLU A 78 11.786 -6.458 3.824 1.00 1.07 C ATOM 1236 OE1 GLU A 78 11.898 -7.483 4.474 1.00 2.24 O ATOM 1237 OE2 GLU A 78 12.047 -5.328 4.205 1.00 1.01 O ATOM 0 H GLU A 78 13.150 -5.484 -0.411 1.00 0.37 H new ATOM 0 HA GLU A 78 13.461 -5.294 2.359 1.00 0.40 H new ATOM 0 HB2 GLU A 78 12.084 -6.952 0.414 1.00 0.32 H new ATOM 0 HB3 GLU A 78 12.750 -7.989 1.660 1.00 0.32 H new ATOM 0 HG2 GLU A 78 10.857 -5.609 2.085 1.00 0.41 H new ATOM 0 HG3 GLU A 78 10.482 -7.302 2.343 1.00 0.41 H new ATOM 1244 N GLU A 79 15.234 -7.711 1.039 1.00 0.60 N ATOM 1245 CA GLU A 79 16.430 -8.606 1.100 1.00 0.52 C ATOM 1246 C GLU A 79 17.688 -7.790 1.484 1.00 0.54 C ATOM 1247 O GLU A 79 18.347 -7.959 2.502 1.00 0.55 O ATOM 1248 CB GLU A 79 16.672 -9.222 -0.273 1.00 0.49 C ATOM 1249 CG GLU A 79 15.668 -10.307 -0.705 1.00 0.34 C ATOM 1250 CD GLU A 79 16.001 -10.704 -2.165 1.00 1.01 C ATOM 1251 OE1 GLU A 79 17.132 -11.110 -2.373 1.00 1.23 O ATOM 1252 OE2 GLU A 79 15.187 -10.610 -3.067 1.00 2.03 O ATOM 0 H GLU A 79 14.635 -7.897 0.235 1.00 0.60 H new ATOM 0 HA GLU A 79 16.246 -9.381 1.844 1.00 0.52 H new ATOM 0 HB2 GLU A 79 16.659 -8.425 -1.016 1.00 0.49 H new ATOM 0 HB3 GLU A 79 17.673 -9.653 -0.286 1.00 0.49 H new ATOM 0 HG2 GLU A 79 15.736 -11.174 -0.048 1.00 0.34 H new ATOM 0 HG3 GLU A 79 14.647 -9.933 -0.634 1.00 0.34 H new ATOM 1259 N LEU A 80 17.988 -6.884 0.584 1.00 0.47 N ATOM 1260 CA LEU A 80 19.172 -6.002 0.770 1.00 0.39 C ATOM 1261 C LEU A 80 19.335 -5.435 2.134 1.00 0.36 C ATOM 1262 O LEU A 80 20.365 -5.630 2.747 1.00 0.32 O ATOM 1263 CB LEU A 80 19.065 -4.911 -0.258 1.00 0.31 C ATOM 1264 CG LEU A 80 19.430 -5.495 -1.607 1.00 0.39 C ATOM 1265 CD1 LEU A 80 19.371 -4.451 -2.685 1.00 0.29 C ATOM 1266 CD2 LEU A 80 20.862 -6.001 -1.489 1.00 0.54 C ATOM 0 H LEU A 80 17.459 -6.721 -0.273 1.00 0.47 H new ATOM 0 HA LEU A 80 20.067 -6.611 0.641 1.00 0.39 H new ATOM 0 HB2 LEU A 80 18.053 -4.507 -0.280 1.00 0.31 H new ATOM 0 HB3 LEU A 80 19.732 -4.086 -0.008 1.00 0.31 H new ATOM 0 HG LEU A 80 18.731 -6.288 -1.872 1.00 0.39 H new ATOM 0 HD11 LEU A 80 19.638 -4.900 -3.642 1.00 0.29 H new ATOM 0 HD12 LEU A 80 18.361 -4.045 -2.744 1.00 0.29 H new ATOM 0 HD13 LEU A 80 20.071 -3.649 -2.453 1.00 0.29 H new ATOM 0 HD21 LEU A 80 21.175 -6.434 -2.439 1.00 0.54 H new ATOM 0 HD22 LEU A 80 21.521 -5.171 -1.234 1.00 0.54 H new ATOM 0 HD23 LEU A 80 20.916 -6.761 -0.709 1.00 0.54 H new ATOM 1278 N LYS A 81 18.307 -4.751 2.524 1.00 0.42 N ATOM 1279 CA LYS A 81 18.236 -4.096 3.867 1.00 0.50 C ATOM 1280 C LYS A 81 19.002 -4.884 4.938 1.00 0.57 C ATOM 1281 O LYS A 81 19.644 -4.314 5.786 1.00 0.61 O ATOM 1282 CB LYS A 81 16.784 -4.009 4.261 1.00 0.64 C ATOM 1283 CG LYS A 81 16.620 -3.323 5.642 1.00 0.85 C ATOM 1284 CD LYS A 81 15.486 -3.963 6.485 1.00 1.36 C ATOM 1285 CE LYS A 81 14.131 -3.279 6.339 1.00 0.57 C ATOM 1286 NZ LYS A 81 13.735 -3.239 4.907 1.00 1.65 N ATOM 0 H LYS A 81 17.476 -4.609 1.950 1.00 0.42 H new ATOM 0 HA LYS A 81 18.696 -3.110 3.799 1.00 0.50 H new ATOM 0 HB2 LYS A 81 16.232 -3.449 3.506 1.00 0.64 H new ATOM 0 HB3 LYS A 81 16.353 -5.009 4.295 1.00 0.64 H new ATOM 0 HG2 LYS A 81 17.559 -3.388 6.191 1.00 0.85 H new ATOM 0 HG3 LYS A 81 16.408 -2.264 5.496 1.00 0.85 H new ATOM 0 HD2 LYS A 81 15.384 -5.010 6.199 1.00 1.36 H new ATOM 0 HD3 LYS A 81 15.777 -3.946 7.535 1.00 1.36 H new ATOM 0 HE2 LYS A 81 13.379 -3.815 6.918 1.00 0.57 H new ATOM 0 HE3 LYS A 81 14.180 -2.267 6.740 1.00 0.57 H new ATOM 0 HZ1 LYS A 81 12.727 -2.995 4.832 1.00 1.65 H new ATOM 0 HZ2 LYS A 81 14.303 -2.523 4.410 1.00 1.65 H new ATOM 0 HZ3 LYS A 81 13.898 -4.171 4.476 1.00 1.65 H new ATOM 1300 N LYS A 82 18.913 -6.178 4.863 1.00 0.64 N ATOM 1301 CA LYS A 82 19.586 -7.056 5.833 1.00 0.83 C ATOM 1302 C LYS A 82 20.997 -7.390 5.395 1.00 0.73 C ATOM 1303 O LYS A 82 21.946 -7.238 6.135 1.00 0.86 O ATOM 1304 CB LYS A 82 18.655 -8.243 5.940 1.00 0.99 C ATOM 1305 CG LYS A 82 17.278 -7.682 6.446 1.00 1.32 C ATOM 1306 CD LYS A 82 16.131 -8.658 6.112 1.00 1.18 C ATOM 1307 CE LYS A 82 14.809 -7.949 6.424 1.00 2.37 C ATOM 1308 NZ LYS A 82 13.673 -8.879 6.162 1.00 2.27 N ATOM 0 H LYS A 82 18.383 -6.672 4.144 1.00 0.64 H new ATOM 0 HA LYS A 82 19.744 -6.601 6.811 1.00 0.83 H new ATOM 0 HB2 LYS A 82 18.542 -8.736 4.975 1.00 0.99 H new ATOM 0 HB3 LYS A 82 19.050 -8.985 6.633 1.00 0.99 H new ATOM 0 HG2 LYS A 82 17.321 -7.519 7.523 1.00 1.32 H new ATOM 0 HG3 LYS A 82 17.083 -6.714 5.985 1.00 1.32 H new ATOM 0 HD2 LYS A 82 16.170 -8.949 5.062 1.00 1.18 H new ATOM 0 HD3 LYS A 82 16.223 -9.571 6.700 1.00 1.18 H new ATOM 0 HE2 LYS A 82 14.795 -7.624 7.464 1.00 2.37 H new ATOM 0 HE3 LYS A 82 14.710 -7.054 5.809 1.00 2.37 H new ATOM 0 HZ1 LYS A 82 12.981 -8.415 5.539 1.00 2.27 H new ATOM 0 HZ2 LYS A 82 14.029 -9.741 5.702 1.00 2.27 H new ATOM 0 HZ3 LYS A 82 13.215 -9.130 7.061 1.00 2.27 H new ATOM 1322 N LYS A 83 21.057 -7.841 4.178 1.00 0.59 N ATOM 1323 CA LYS A 83 22.346 -8.225 3.536 1.00 0.49 C ATOM 1324 C LYS A 83 23.407 -7.176 3.873 1.00 0.45 C ATOM 1325 O LYS A 83 24.497 -7.484 4.311 1.00 0.45 O ATOM 1326 CB LYS A 83 22.097 -8.285 2.068 1.00 0.43 C ATOM 1327 CG LYS A 83 21.139 -9.413 1.781 1.00 0.56 C ATOM 1328 CD LYS A 83 20.607 -9.260 0.347 1.00 0.53 C ATOM 1329 CE LYS A 83 20.073 -10.616 0.021 1.00 0.77 C ATOM 1330 NZ LYS A 83 19.682 -10.588 -1.396 1.00 0.87 N ATOM 0 H LYS A 83 20.240 -7.964 3.580 1.00 0.59 H new ATOM 0 HA LYS A 83 22.707 -9.190 3.893 1.00 0.49 H new ATOM 0 HB2 LYS A 83 21.683 -7.340 1.717 1.00 0.43 H new ATOM 0 HB3 LYS A 83 23.034 -8.441 1.533 1.00 0.43 H new ATOM 0 HG2 LYS A 83 21.642 -10.373 1.896 1.00 0.56 H new ATOM 0 HG3 LYS A 83 20.314 -9.398 2.493 1.00 0.56 H new ATOM 0 HD2 LYS A 83 19.829 -8.498 0.288 1.00 0.53 H new ATOM 0 HD3 LYS A 83 21.397 -8.964 -0.344 1.00 0.53 H new ATOM 0 HE2 LYS A 83 20.828 -11.382 0.199 1.00 0.77 H new ATOM 0 HE3 LYS A 83 19.219 -10.858 0.653 1.00 0.77 H new ATOM 0 HZ1 LYS A 83 18.646 -10.643 -1.471 1.00 0.87 H new ATOM 0 HZ2 LYS A 83 20.015 -9.704 -1.831 1.00 0.87 H new ATOM 0 HZ3 LYS A 83 20.108 -11.398 -1.890 1.00 0.87 H new ATOM 1344 N TYR A 84 23.018 -5.949 3.644 1.00 0.44 N ATOM 1345 CA TYR A 84 23.989 -4.844 3.947 1.00 0.45 C ATOM 1346 C TYR A 84 23.624 -4.349 5.361 1.00 0.55 C ATOM 1347 O TYR A 84 24.585 -4.135 6.084 1.00 0.58 O ATOM 1348 CB TYR A 84 23.882 -3.837 2.685 1.00 0.38 C ATOM 1349 CG TYR A 84 24.204 -4.893 1.616 1.00 0.31 C ATOM 1350 CD1 TYR A 84 25.513 -5.335 1.507 1.00 1.72 C ATOM 1351 CD2 TYR A 84 23.219 -5.496 0.841 1.00 1.43 C ATOM 1352 CE1 TYR A 84 25.823 -6.375 0.648 1.00 1.67 C ATOM 1353 CE2 TYR A 84 23.554 -6.526 0.005 1.00 1.46 C ATOM 1354 CZ TYR A 84 24.834 -6.968 -0.098 1.00 0.38 C ATOM 1355 OH TYR A 84 25.094 -8.009 -0.961 1.00 0.48 O ATOM 0 H TYR A 84 22.110 -5.666 3.276 1.00 0.44 H new ATOM 0 HA TYR A 84 25.051 -5.076 4.019 1.00 0.45 H new ATOM 0 HB2 TYR A 84 22.895 -3.388 2.569 1.00 0.38 H new ATOM 0 HB3 TYR A 84 24.602 -3.019 2.719 1.00 0.38 H new ATOM 0 HD1 TYR A 84 26.291 -4.868 2.092 1.00 1.72 H new ATOM 0 HD2 TYR A 84 22.196 -5.153 0.899 1.00 1.43 H new ATOM 0 HE1 TYR A 84 26.843 -6.720 0.564 1.00 1.67 H new ATOM 0 HE2 TYR A 84 22.783 -6.998 -0.586 1.00 1.46 H new ATOM 0 HH TYR A 84 24.261 -8.290 -1.395 1.00 0.48 H new ATOM 1365 N GLY A 85 22.389 -4.143 5.799 1.00 0.64 N ATOM 1366 CA GLY A 85 22.275 -3.695 7.255 1.00 0.77 C ATOM 1367 C GLY A 85 21.744 -2.344 7.645 1.00 0.86 C ATOM 1368 O GLY A 85 22.446 -1.523 8.211 1.00 0.93 O ATOM 0 H GLY A 85 21.522 -4.251 5.272 1.00 0.64 H new ATOM 0 HA2 GLY A 85 21.652 -4.433 7.760 1.00 0.77 H new ATOM 0 HA3 GLY A 85 23.274 -3.773 7.685 1.00 0.77 H new ATOM 1372 N ILE A 86 20.512 -2.200 7.301 1.00 0.85 N ATOM 1373 CA ILE A 86 19.700 -1.015 7.536 1.00 0.87 C ATOM 1374 C ILE A 86 18.370 -1.418 8.252 1.00 0.85 C ATOM 1375 O ILE A 86 18.107 -2.610 8.349 1.00 1.34 O ATOM 1376 CB ILE A 86 19.598 -0.403 6.099 1.00 0.84 C ATOM 1377 CG1 ILE A 86 18.169 -0.303 5.554 1.00 0.67 C ATOM 1378 CG2 ILE A 86 20.500 -1.043 5.008 1.00 1.27 C ATOM 1379 CD1 ILE A 86 17.791 1.155 5.259 1.00 0.55 C ATOM 1380 OXT ILE A 86 17.674 -0.505 8.670 1.00 0.97 O ATOM 0 H ILE A 86 19.997 -2.937 6.819 1.00 0.85 H new ATOM 0 HA ILE A 86 20.095 -0.265 8.221 1.00 0.87 H new ATOM 0 HB ILE A 86 19.987 0.598 6.289 1.00 0.84 H new ATOM 0 HG12 ILE A 86 18.081 -0.896 4.644 1.00 0.67 H new ATOM 0 HG13 ILE A 86 17.470 -0.724 6.277 1.00 0.67 H new ATOM 0 HG21 ILE A 86 20.339 -0.533 4.058 1.00 1.27 H new ATOM 0 HG22 ILE A 86 21.546 -0.947 5.299 1.00 1.27 H new ATOM 0 HG23 ILE A 86 20.248 -2.098 4.901 1.00 1.27 H new ATOM 0 HD11 ILE A 86 16.772 1.196 4.874 1.00 0.55 H new ATOM 0 HD12 ILE A 86 17.856 1.740 6.176 1.00 0.55 H new ATOM 0 HD13 ILE A 86 18.476 1.566 4.517 1.00 0.55 H new