USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 127:sc= 1.11 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.923 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 173:sc= 0.418 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 164:sc= 0.392 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0464) USER MOD Single : A 1 MET N :NH3+ -154:sc= 2.42 (180deg=2.39) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.096 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 144:sc= 1.18 (180deg=-0.441!) USER MOD Single : A 14 THR OG1 : rot -96:sc= 0.133 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.86 (180deg=1.41) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= 1.2 (180deg=1.11) USER MOD Single : A 31 GLN : amide:sc= -1.79! C(o=-1.8!,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.496 K(o=-0.5,f=-2.8!) USER MOD Single : A 41 GLN : amide:sc= 0.0555 K(o=0.055,f=-5.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.223 K(o=0.22,f=-5.3!) USER MOD Single : A 59 TYR OH : rot 120:sc= -0.0241 USER MOD Single : A 60 ASN : amide:sc= -0.0141 K(o=-0.014,f=-0.76) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 84:sc= 0.471 USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.000212 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.011 -7.893 -5.260 1.00 9.67 N ATOM 2 CA MET A 1 11.007 -7.673 -3.779 1.00 10.38 C ATOM 3 C MET A 1 9.699 -8.004 -3.086 1.00 9.62 C ATOM 4 O MET A 1 8.628 -7.678 -3.488 1.00 9.62 O ATOM 5 CB MET A 1 11.364 -6.185 -3.501 1.00 13.77 C ATOM 6 CG MET A 1 11.368 -5.800 -2.007 1.00 16.29 C ATOM 7 SD MET A 1 12.221 -4.252 -1.683 1.00 17.17 S ATOM 8 CE MET A 1 10.820 -3.076 -1.804 1.00 16.11 C ATOM 0 H1 MET A 1 11.983 -8.075 -5.581 1.00 9.67 H new ATOM 0 H2 MET A 1 10.411 -8.710 -5.491 1.00 9.67 H new ATOM 0 H3 MET A 1 10.642 -7.046 -5.738 1.00 9.67 H new ATOM 0 HA MET A 1 11.743 -8.364 -3.366 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.348 -5.975 -3.921 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.652 -5.549 -4.026 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.339 -5.722 -1.655 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.842 -6.597 -1.433 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.161 -2.075 -1.541 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.436 -3.072 -2.824 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.029 -3.381 -1.119 1.00 16.11 H new ATOM 20 N GLN A 2 9.814 -8.792 -1.963 1.00 9.27 N ATOM 21 CA GLN A 2 8.653 -9.188 -1.189 1.00 9.07 C ATOM 22 C GLN A 2 8.343 -8.107 -0.250 1.00 8.72 C ATOM 23 O GLN A 2 9.181 -7.560 0.461 1.00 8.22 O ATOM 24 CB GLN A 2 9.035 -10.546 -0.513 1.00 14.46 C ATOM 25 CG GLN A 2 7.936 -11.281 0.317 1.00 17.01 C ATOM 26 CD GLN A 2 8.086 -12.768 0.344 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.565 -13.256 1.406 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.714 -13.483 -0.691 1.00 19.49 N ATOM 0 H GLN A 2 10.701 -9.145 -1.603 1.00 9.27 H new ATOM 0 HA GLN A 2 7.747 -9.343 -1.775 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.374 -11.225 -1.295 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.886 -10.365 0.144 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.956 -10.906 1.340 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.958 -11.032 -0.094 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.334 -13.023 -1.519 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.804 -14.499 -0.668 1.00 19.49 H new ATOM 37 N ILE A 3 7.001 -7.738 -0.128 1.00 5.87 N ATOM 38 CA ILE A 3 6.508 -6.889 0.945 1.00 5.07 C ATOM 39 C ILE A 3 5.198 -7.527 1.392 1.00 4.01 C ATOM 40 O ILE A 3 4.560 -8.266 0.602 1.00 4.61 O ATOM 41 CB ILE A 3 6.340 -5.403 0.612 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.266 -5.209 -0.445 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.727 -4.810 0.420 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.209 -3.699 -0.852 1.00 10.83 C ATOM 0 H ILE A 3 6.277 -8.038 -0.781 1.00 5.87 H new ATOM 0 HA ILE A 3 7.259 -6.850 1.734 1.00 5.07 H new ATOM 0 HB ILE A 3 5.920 -4.800 1.418 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.483 -5.825 -1.318 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.298 -5.531 -0.060 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.640 -3.750 0.181 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.304 -4.929 1.337 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.233 -5.325 -0.396 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.439 -3.555 -1.610 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.973 -3.095 0.024 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.175 -3.394 -1.253 1.00 10.83 H new ATOM 56 N PHE A 4 4.704 -7.208 2.604 1.00 4.55 N ATOM 57 CA PHE A 4 3.493 -7.721 3.130 1.00 4.68 C ATOM 58 C PHE A 4 2.602 -6.523 3.317 1.00 5.30 C ATOM 59 O PHE A 4 2.967 -5.467 3.818 1.00 5.58 O ATOM 60 CB PHE A 4 3.734 -8.477 4.446 1.00 4.83 C ATOM 61 CG PHE A 4 4.857 -9.434 4.315 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.508 -10.597 3.619 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.164 -9.273 4.764 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.441 -11.590 3.299 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.117 -10.288 4.449 1.00 10.61 C ATOM 66 CZ PHE A 4 6.741 -11.397 3.707 1.00 8.90 C ATOM 0 H PHE A 4 5.176 -6.564 3.238 1.00 4.55 H new ATOM 0 HA PHE A 4 3.034 -8.451 2.463 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.950 -7.766 5.243 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.828 -9.012 4.733 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.480 -10.733 3.317 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.450 -8.403 5.336 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.151 -12.475 2.752 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.137 -10.191 4.791 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.489 -12.130 3.442 1.00 8.90 H new ATOM 76 N VAL A 5 1.306 -6.649 2.941 1.00 4.44 N ATOM 77 CA VAL A 5 0.197 -5.751 3.205 1.00 3.87 C ATOM 78 C VAL A 5 -0.800 -6.429 4.137 1.00 4.93 C ATOM 79 O VAL A 5 -1.453 -7.408 3.777 1.00 6.84 O ATOM 80 CB VAL A 5 -0.561 -5.380 1.964 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.722 -4.456 2.334 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.410 -4.740 0.983 1.00 9.13 C ATOM 0 H VAL A 5 1.003 -7.458 2.399 1.00 4.44 H new ATOM 0 HA VAL A 5 0.632 -4.852 3.642 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.995 -6.258 1.485 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.273 -4.186 1.433 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.389 -4.969 3.027 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.333 -3.554 2.806 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.122 -4.463 0.073 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.848 -3.849 1.433 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.201 -5.449 0.739 1.00 9.13 H new ATOM 92 N LYS A 6 -0.901 -5.948 5.385 1.00 6.04 N ATOM 93 CA LYS A 6 -1.840 -6.514 6.350 1.00 6.12 C ATOM 94 C LYS A 6 -3.102 -5.680 6.283 1.00 6.57 C ATOM 95 O LYS A 6 -3.104 -4.475 6.238 1.00 5.76 O ATOM 96 CB LYS A 6 -1.353 -6.215 7.826 1.00 7.45 C ATOM 97 CG LYS A 6 -0.199 -7.015 8.351 1.00 11.12 C ATOM 98 CD LYS A 6 -0.675 -8.376 8.849 1.00 14.54 C ATOM 99 CE LYS A 6 0.537 -9.215 9.337 1.00 18.84 C ATOM 100 NZ LYS A 6 0.229 -10.576 9.794 1.00 20.55 N ATOM 0 H LYS A 6 -0.344 -5.172 5.743 1.00 6.04 H new ATOM 0 HA LYS A 6 -1.950 -7.577 6.135 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.085 -5.160 7.884 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.199 -6.366 8.496 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.546 -7.148 7.566 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.287 -6.474 9.163 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.389 -8.246 9.662 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.195 -8.904 8.050 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.261 -9.280 8.525 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.021 -8.679 10.153 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.115 -11.087 9.984 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.338 -10.530 10.665 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.308 -11.076 9.057 1.00 20.55 H new ATOM 114 N THR A 7 -4.294 -6.342 6.281 1.00 7.41 N ATOM 115 CA THR A 7 -5.577 -5.670 6.132 1.00 7.48 C ATOM 116 C THR A 7 -6.140 -5.235 7.484 1.00 8.75 C ATOM 117 O THR A 7 -5.629 -5.674 8.519 1.00 8.58 O ATOM 118 CB THR A 7 -6.641 -6.250 5.189 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.231 -7.402 5.705 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.871 -6.554 3.821 1.00 9.17 C ATOM 0 H THR A 7 -4.371 -7.354 6.384 1.00 7.41 H new ATOM 0 HA THR A 7 -5.293 -4.797 5.544 1.00 7.48 H new ATOM 0 HB THR A 7 -7.464 -5.550 5.048 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.902 -7.736 5.074 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.569 -6.972 3.096 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.450 -5.629 3.427 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.069 -7.268 4.006 1.00 9.17 H new ATOM 128 N LEU A 8 -7.288 -4.456 7.547 1.00 9.84 N ATOM 129 CA LEU A 8 -8.070 -4.042 8.734 1.00 14.15 C ATOM 130 C LEU A 8 -8.618 -5.171 9.524 1.00 17.37 C ATOM 131 O LEU A 8 -8.490 -5.225 10.759 1.00 17.01 O ATOM 132 CB LEU A 8 -9.136 -3.048 8.366 1.00 16.63 C ATOM 133 CG LEU A 8 -10.146 -2.576 9.452 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.353 -1.807 10.573 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.302 -1.597 9.029 1.00 18.59 C ATOM 0 H LEU A 8 -7.702 -4.085 6.692 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.359 -3.551 9.398 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.636 -2.161 7.976 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.713 -3.475 7.546 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.628 -3.508 9.746 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.047 -1.469 11.343 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.614 -2.473 11.018 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.848 -0.945 10.136 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.918 -1.364 9.898 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.873 -0.677 8.631 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.918 -2.070 8.264 1.00 18.59 H new ATOM 147 N THR A 9 -9.138 -6.185 8.873 1.00 18.33 N ATOM 148 CA THR A 9 -9.843 -7.284 9.495 1.00 19.24 C ATOM 149 C THR A 9 -8.925 -8.528 9.525 1.00 19.48 C ATOM 150 O THR A 9 -9.378 -9.582 9.902 1.00 23.14 O ATOM 151 CB THR A 9 -11.115 -7.670 8.699 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.874 -7.993 7.327 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.006 -6.394 8.649 1.00 19.70 C ATOM 0 H THR A 9 -9.080 -6.271 7.858 1.00 18.33 H new ATOM 0 HA THR A 9 -10.125 -6.965 10.498 1.00 19.24 H new ATOM 0 HB THR A 9 -11.546 -8.541 9.193 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.721 -8.227 6.892 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.921 -6.610 8.097 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.259 -6.087 9.664 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.463 -5.590 8.151 1.00 19.70 H new ATOM 161 N GLY A 10 -7.611 -8.419 9.175 1.00 19.43 N ATOM 162 CA GLY A 10 -6.611 -9.412 9.568 1.00 18.74 C ATOM 163 C GLY A 10 -6.099 -10.278 8.492 1.00 17.62 C ATOM 164 O GLY A 10 -5.490 -11.340 8.783 1.00 19.74 O ATOM 0 H GLY A 10 -7.237 -7.648 8.622 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.767 -8.889 10.018 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.043 -10.046 10.342 1.00 18.74 H new ATOM 168 N LYS A 11 -6.283 -9.971 7.176 1.00 13.56 N ATOM 169 CA LYS A 11 -5.778 -10.706 5.998 1.00 11.91 C ATOM 170 C LYS A 11 -4.263 -10.329 5.875 1.00 10.18 C ATOM 171 O LYS A 11 -3.907 -9.171 6.120 1.00 9.10 O ATOM 172 CB LYS A 11 -6.560 -10.422 4.708 1.00 13.43 C ATOM 173 CG LYS A 11 -6.171 -11.290 3.464 1.00 16.69 C ATOM 174 CD LYS A 11 -7.082 -11.121 2.260 1.00 17.92 C ATOM 175 CE LYS A 11 -6.874 -12.103 1.022 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.892 -12.041 -0.008 1.00 21.93 N ATOM 0 H LYS A 11 -6.823 -9.150 6.902 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.913 -11.778 6.139 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.621 -10.568 4.910 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.426 -9.372 4.449 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.152 -11.041 3.169 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.170 -12.340 3.757 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.111 -11.228 2.602 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.971 -10.099 1.898 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.908 -11.884 0.566 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.825 -13.125 1.397 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.451 -12.177 -0.940 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.596 -12.789 0.154 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.360 -11.113 0.022 1.00 21.93 H new ATOM 190 N THR A 12 -3.359 -11.235 5.395 1.00 9.63 N ATOM 191 CA THR A 12 -1.949 -10.939 5.117 1.00 9.85 C ATOM 192 C THR A 12 -1.669 -11.029 3.651 1.00 11.66 C ATOM 193 O THR A 12 -1.637 -12.118 3.097 1.00 12.33 O ATOM 194 CB THR A 12 -0.924 -11.814 5.864 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.106 -11.739 7.296 1.00 10.91 O ATOM 196 CG2 THR A 12 0.495 -11.276 5.708 1.00 9.63 C ATOM 0 H THR A 12 -3.610 -12.203 5.193 1.00 9.63 H new ATOM 0 HA THR A 12 -1.816 -9.924 5.492 1.00 9.85 H new ATOM 0 HB THR A 12 -1.067 -12.812 5.450 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.630 -12.480 7.725 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.189 -11.919 6.248 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.763 -11.259 4.652 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.547 -10.265 6.112 1.00 9.63 H new ATOM 204 N ILE A 13 -1.518 -9.937 2.915 1.00 10.42 N ATOM 205 CA ILE A 13 -1.441 -10.073 1.466 1.00 11.84 C ATOM 206 C ILE A 13 0.023 -9.876 1.096 1.00 10.55 C ATOM 207 O ILE A 13 0.644 -8.847 1.381 1.00 11.92 O ATOM 208 CB ILE A 13 -2.225 -9.003 0.771 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.713 -8.962 1.286 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.338 -9.386 -0.710 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.623 -7.892 0.760 1.00 16.46 C ATOM 0 H ILE A 13 -1.449 -8.985 3.276 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.839 -11.043 1.169 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.723 -8.052 0.948 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.169 -9.926 1.059 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.686 -8.870 2.372 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.906 -8.622 -1.241 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.341 -9.463 -1.143 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.848 -10.345 -0.800 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.610 -8.000 1.210 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.215 -6.912 1.010 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.706 -7.985 -0.323 1.00 16.46 H new ATOM 223 N THR A 14 0.619 -10.855 0.348 1.00 9.39 N ATOM 224 CA THR A 14 1.985 -10.764 -0.068 1.00 9.63 C ATOM 225 C THR A 14 2.170 -10.236 -1.498 1.00 11.20 C ATOM 226 O THR A 14 1.459 -10.697 -2.404 1.00 11.63 O ATOM 227 CB THR A 14 2.803 -12.032 0.151 1.00 10.38 C ATOM 228 OG1 THR A 14 2.529 -12.569 1.464 1.00 16.30 O ATOM 229 CG2 THR A 14 4.275 -11.844 -0.010 1.00 11.66 C ATOM 0 H THR A 14 0.142 -11.702 0.040 1.00 9.39 H new ATOM 0 HA THR A 14 2.391 -10.013 0.609 1.00 9.63 H new ATOM 0 HB THR A 14 2.494 -12.728 -0.629 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.218 -12.265 2.092 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.784 -12.792 0.162 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.489 -11.496 -1.020 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.629 -11.107 0.711 1.00 11.66 H new ATOM 237 N LEU A 15 3.142 -9.297 -1.729 1.00 8.29 N ATOM 238 CA LEU A 15 3.234 -8.648 -2.990 1.00 9.03 C ATOM 239 C LEU A 15 4.644 -8.845 -3.566 1.00 8.59 C ATOM 240 O LEU A 15 5.582 -9.014 -2.796 1.00 7.79 O ATOM 241 CB LEU A 15 2.957 -7.086 -2.923 1.00 11.08 C ATOM 242 CG LEU A 15 1.569 -6.738 -2.524 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.294 -5.193 -2.592 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.581 -7.441 -3.476 1.00 15.27 C ATOM 0 H LEU A 15 3.840 -9.007 -1.044 1.00 8.29 H new ATOM 0 HA LEU A 15 2.466 -9.099 -3.618 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.652 -6.634 -2.216 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.165 -6.648 -3.899 1.00 11.08 H new ATOM 0 HG LEU A 15 1.438 -7.064 -1.492 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.266 -4.993 -2.291 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.977 -4.672 -1.921 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.448 -4.840 -3.612 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.441 -7.191 -3.190 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.763 -7.110 -4.498 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.721 -8.520 -3.414 1.00 15.27 H new ATOM 256 N GLU A 16 4.862 -8.820 -4.880 1.00 11.04 N ATOM 257 CA GLU A 16 6.161 -8.656 -5.543 1.00 11.50 C ATOM 258 C GLU A 16 6.252 -7.209 -6.076 1.00 10.13 C ATOM 259 O GLU A 16 5.448 -6.780 -6.935 1.00 9.83 O ATOM 260 CB GLU A 16 6.326 -9.652 -6.661 1.00 17.22 C ATOM 261 CG GLU A 16 7.813 -9.935 -7.086 1.00 23.33 C ATOM 262 CD GLU A 16 8.653 -10.611 -5.966 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.202 -11.603 -5.350 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.794 -10.188 -5.780 1.00 28.86 O ATOM 0 H GLU A 16 4.098 -8.919 -5.549 1.00 11.04 H new ATOM 0 HA GLU A 16 6.965 -8.840 -4.830 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.865 -10.593 -6.360 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.778 -9.292 -7.532 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.816 -10.574 -7.969 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.288 -8.996 -7.370 1.00 23.33 H new ATOM 271 N VAL A 17 7.205 -6.470 -5.612 1.00 8.99 N ATOM 272 CA VAL A 17 7.454 -5.059 -5.977 1.00 8.85 C ATOM 273 C VAL A 17 8.937 -4.830 -6.245 1.00 8.04 C ATOM 274 O VAL A 17 9.664 -5.767 -6.323 1.00 8.99 O ATOM 275 CB VAL A 17 7.008 -4.082 -4.799 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.479 -4.031 -4.631 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.737 -4.562 -3.530 1.00 10.54 C ATOM 0 H VAL A 17 7.880 -6.823 -4.934 1.00 8.99 H new ATOM 0 HA VAL A 17 6.873 -4.847 -6.874 1.00 8.85 H new ATOM 0 HB VAL A 17 7.286 -3.052 -5.023 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.225 -3.352 -3.817 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.023 -3.676 -5.555 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.105 -5.029 -4.402 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.464 -3.923 -2.690 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.449 -5.590 -3.312 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.814 -4.513 -3.689 1.00 10.54 H new ATOM 287 N GLU A 18 9.410 -3.557 -6.333 1.00 7.29 N ATOM 288 CA GLU A 18 10.793 -3.141 -6.511 1.00 7.08 C ATOM 289 C GLU A 18 10.983 -1.871 -5.676 1.00 6.45 C ATOM 290 O GLU A 18 9.995 -1.227 -5.341 1.00 5.28 O ATOM 291 CB GLU A 18 10.995 -2.740 -7.993 1.00 10.28 C ATOM 292 CG GLU A 18 10.855 -3.949 -9.010 1.00 12.65 C ATOM 293 CD GLU A 18 11.410 -3.616 -10.314 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.793 -2.811 -11.058 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.530 -4.120 -10.675 1.00 14.33 O ATOM 0 H GLU A 18 8.780 -2.757 -6.276 1.00 7.29 H new ATOM 0 HA GLU A 18 11.482 -3.935 -6.224 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.267 -1.972 -8.254 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.983 -2.294 -8.107 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.366 -4.824 -8.609 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.804 -4.215 -9.118 1.00 12.65 H new ATOM 302 N PRO A 19 12.192 -1.429 -5.371 1.00 7.24 N ATOM 303 CA PRO A 19 12.393 -0.302 -4.492 1.00 7.07 C ATOM 304 C PRO A 19 11.834 1.036 -5.070 1.00 6.65 C ATOM 305 O PRO A 19 11.479 1.878 -4.241 1.00 6.37 O ATOM 306 CB PRO A 19 13.906 -0.307 -4.235 1.00 7.61 C ATOM 307 CG PRO A 19 14.328 -1.758 -4.303 1.00 8.16 C ATOM 308 CD PRO A 19 13.365 -2.323 -5.347 1.00 7.49 C ATOM 0 HA PRO A 19 11.833 -0.386 -3.561 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.432 0.289 -4.981 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.139 0.123 -3.261 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.369 -1.866 -4.608 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.225 -2.258 -3.340 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.839 -2.366 -6.328 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.071 -3.341 -5.091 1.00 7.49 H new ATOM 316 N SER A 20 11.735 1.227 -6.384 1.00 6.80 N ATOM 317 CA SER A 20 11.252 2.438 -7.147 1.00 6.28 C ATOM 318 C SER A 20 9.802 2.356 -7.615 1.00 8.45 C ATOM 319 O SER A 20 9.335 3.265 -8.256 1.00 7.26 O ATOM 320 CB SER A 20 12.125 2.657 -8.371 1.00 8.57 C ATOM 321 OG SER A 20 13.515 2.658 -8.002 1.00 11.13 O ATOM 0 H SER A 20 12.010 0.484 -7.027 1.00 6.80 H new ATOM 0 HA SER A 20 11.317 3.265 -6.441 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.937 1.873 -9.104 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.867 3.604 -8.845 1.00 8.57 H new ATOM 0 HG SER A 20 14.065 2.798 -8.801 1.00 11.13 H new ATOM 327 N ASP A 21 9.100 1.291 -7.218 1.00 7.50 N ATOM 328 CA ASP A 21 7.642 1.288 -7.469 1.00 7.70 C ATOM 329 C ASP A 21 6.964 2.270 -6.539 1.00 7.08 C ATOM 330 O ASP A 21 7.155 2.181 -5.317 1.00 8.11 O ATOM 331 CB ASP A 21 6.985 -0.121 -7.305 1.00 11.00 C ATOM 332 CG ASP A 21 7.393 -1.100 -8.405 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.856 -0.681 -9.490 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.159 -2.281 -8.176 1.00 14.36 O ATOM 0 H ASP A 21 9.478 0.467 -6.751 1.00 7.50 H new ATOM 0 HA ASP A 21 7.505 1.581 -8.510 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.263 -0.535 -6.336 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.900 -0.013 -7.306 1.00 11.00 H new ATOM 339 N THR A 22 6.143 3.147 -7.108 1.00 5.37 N ATOM 340 CA THR A 22 5.442 4.177 -6.346 1.00 6.01 C ATOM 341 C THR A 22 4.315 3.622 -5.568 1.00 8.01 C ATOM 342 O THR A 22 3.724 2.596 -5.838 1.00 8.11 O ATOM 343 CB THR A 22 5.049 5.456 -7.114 1.00 8.92 C ATOM 344 OG1 THR A 22 4.350 5.134 -8.297 1.00 10.22 O ATOM 345 CG2 THR A 22 6.343 6.162 -7.600 1.00 9.65 C ATOM 0 H THR A 22 5.945 3.165 -8.108 1.00 5.37 H new ATOM 0 HA THR A 22 6.201 4.533 -5.649 1.00 6.01 H new ATOM 0 HB THR A 22 4.444 6.070 -6.447 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.108 5.958 -8.769 1.00 10.22 H new ATOM 0 HG21 THR A 22 6.080 7.069 -8.145 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.961 6.422 -6.740 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.898 5.492 -8.257 1.00 9.65 H new ATOM 353 N ILE A 23 3.911 4.342 -4.511 1.00 8.32 N ATOM 354 CA ILE A 23 2.797 3.918 -3.677 1.00 9.92 C ATOM 355 C ILE A 23 1.479 3.658 -4.411 1.00 10.01 C ATOM 356 O ILE A 23 0.790 2.688 -4.071 1.00 8.71 O ATOM 357 CB ILE A 23 2.655 4.888 -2.507 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.893 5.028 -1.620 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.432 4.594 -1.610 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.613 3.756 -1.114 1.00 12.30 C ATOM 0 H ILE A 23 4.344 5.219 -4.221 1.00 8.32 H new ATOM 0 HA ILE A 23 3.044 2.925 -3.302 1.00 9.92 H new ATOM 0 HB ILE A 23 2.511 5.840 -3.018 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.624 5.621 -2.170 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.604 5.610 -0.745 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.392 5.321 -0.799 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.520 4.663 -2.204 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.519 3.590 -1.194 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.468 4.041 -0.500 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.922 3.159 -0.519 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.958 3.170 -1.966 1.00 12.30 H new ATOM 372 N GLU A 24 1.067 4.463 -5.406 1.00 9.54 N ATOM 373 CA GLU A 24 -0.017 4.239 -6.350 1.00 11.81 C ATOM 374 C GLU A 24 0.144 2.909 -7.071 1.00 11.14 C ATOM 375 O GLU A 24 -0.846 2.162 -7.060 1.00 10.62 O ATOM 376 CB GLU A 24 -0.062 5.370 -7.391 1.00 19.24 C ATOM 377 CG GLU A 24 -1.501 5.480 -8.057 1.00 27.76 C ATOM 378 CD GLU A 24 -1.499 6.590 -9.065 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.587 6.666 -9.909 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.367 7.504 -8.978 1.00 36.51 O ATOM 0 H GLU A 24 1.528 5.357 -5.576 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.947 4.222 -5.782 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.195 6.316 -6.915 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.686 5.188 -8.163 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.765 4.538 -8.538 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.254 5.669 -7.292 1.00 27.76 H new ATOM 387 N ASN A 25 1.405 2.597 -7.585 1.00 9.43 N ATOM 388 CA ASN A 25 1.670 1.363 -8.310 1.00 10.96 C ATOM 389 C ASN A 25 1.346 0.166 -7.411 1.00 9.68 C ATOM 390 O ASN A 25 0.723 -0.830 -7.793 1.00 9.33 O ATOM 391 CB ASN A 25 3.204 1.326 -8.710 1.00 16.78 C ATOM 392 CG ASN A 25 3.612 0.244 -9.676 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.818 -0.969 -9.388 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.671 0.557 -10.988 1.00 24.70 N ATOM 0 H ASN A 25 2.218 3.205 -7.489 1.00 9.43 H new ATOM 0 HA ASN A 25 1.052 1.317 -9.207 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.469 2.290 -9.144 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.793 1.213 -7.800 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.872 -0.168 -11.677 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.514 1.518 -11.290 1.00 24.70 H new ATOM 401 N VAL A 26 1.694 0.262 -6.105 1.00 6.52 N ATOM 402 CA VAL A 26 1.344 -0.718 -5.069 1.00 5.53 C ATOM 403 C VAL A 26 -0.187 -0.905 -4.883 1.00 4.42 C ATOM 404 O VAL A 26 -0.697 -2.041 -4.838 1.00 3.40 O ATOM 405 CB VAL A 26 1.897 -0.427 -3.687 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.732 -1.670 -2.863 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.407 -0.101 -3.827 1.00 8.12 C ATOM 0 H VAL A 26 2.239 1.045 -5.743 1.00 6.52 H new ATOM 0 HA VAL A 26 1.811 -1.619 -5.466 1.00 5.53 H new ATOM 0 HB VAL A 26 1.381 0.411 -3.219 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.121 -1.496 -1.860 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.675 -1.929 -2.803 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.280 -2.490 -3.327 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.826 0.112 -2.844 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.924 -0.955 -4.265 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.533 0.769 -4.471 1.00 8.12 H new ATOM 417 N LYS A 27 -0.924 0.201 -4.796 1.00 2.64 N ATOM 418 CA LYS A 27 -2.374 0.173 -4.711 1.00 4.14 C ATOM 419 C LYS A 27 -2.998 -0.363 -5.970 1.00 5.58 C ATOM 420 O LYS A 27 -3.992 -1.104 -5.969 1.00 4.11 O ATOM 421 CB LYS A 27 -2.948 1.603 -4.439 1.00 3.97 C ATOM 422 CG LYS A 27 -2.677 2.167 -3.030 1.00 7.45 C ATOM 423 CD LYS A 27 -3.430 3.448 -2.683 1.00 9.02 C ATOM 424 CE LYS A 27 -2.866 4.634 -3.453 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.739 5.793 -3.252 1.00 15.47 N ATOM 0 H LYS A 27 -0.527 1.141 -4.783 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.623 -0.490 -3.882 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.529 2.290 -5.174 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.026 1.581 -4.602 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.935 1.404 -2.296 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.608 2.356 -2.932 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.488 3.327 -2.916 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.359 3.638 -1.612 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.856 4.860 -3.110 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.796 4.395 -4.514 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.528 6.515 -3.970 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.733 5.498 -3.339 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.577 6.189 -2.304 1.00 15.47 H new ATOM 439 N ALA A 28 -2.457 -0.036 -7.102 1.00 6.61 N ATOM 440 CA ALA A 28 -2.896 -0.567 -8.371 1.00 7.74 C ATOM 441 C ALA A 28 -2.717 -2.102 -8.438 1.00 9.17 C ATOM 442 O ALA A 28 -3.481 -2.809 -8.998 1.00 11.45 O ATOM 443 CB ALA A 28 -2.247 0.133 -9.651 1.00 7.68 C ATOM 0 H ALA A 28 -1.681 0.621 -7.180 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.958 -0.328 -8.415 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.636 -0.332 -10.557 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.497 1.194 -9.652 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.164 0.016 -9.620 1.00 7.68 H new ATOM 449 N LYS A 29 -1.582 -2.551 -7.885 1.00 8.96 N ATOM 450 CA LYS A 29 -1.370 -3.971 -7.672 1.00 7.90 C ATOM 451 C LYS A 29 -2.360 -4.680 -6.713 1.00 6.92 C ATOM 452 O LYS A 29 -2.859 -5.782 -6.999 1.00 6.87 O ATOM 453 CB LYS A 29 0.126 -4.213 -7.375 1.00 10.28 C ATOM 454 CG LYS A 29 0.529 -5.711 -7.230 1.00 14.94 C ATOM 455 CD LYS A 29 2.002 -5.740 -7.373 1.00 19.69 C ATOM 456 CE LYS A 29 2.473 -5.881 -8.826 1.00 22.63 C ATOM 457 NZ LYS A 29 3.952 -5.693 -8.830 1.00 24.98 N ATOM 0 H LYS A 29 -0.812 -1.953 -7.584 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.627 -4.480 -8.601 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.717 -3.768 -8.175 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.389 -3.690 -6.456 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.221 -6.108 -6.263 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.048 -6.322 -7.994 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.418 -4.825 -6.952 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.400 -6.570 -6.788 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.209 -6.861 -9.223 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.989 -5.139 -9.461 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.365 -6.205 -9.636 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.173 -4.680 -8.913 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.351 -6.063 -7.944 1.00 24.98 H new ATOM 471 N ILE A 30 -2.669 -4.023 -5.600 1.00 4.57 N ATOM 472 CA ILE A 30 -3.749 -4.452 -4.678 1.00 5.58 C ATOM 473 C ILE A 30 -5.122 -4.478 -5.380 1.00 7.26 C ATOM 474 O ILE A 30 -5.988 -5.329 -5.156 1.00 9.46 O ATOM 475 CB ILE A 30 -3.714 -3.648 -3.390 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.370 -3.884 -2.696 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.877 -4.098 -2.445 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.139 -2.873 -1.549 1.00 2.00 C ATOM 0 H ILE A 30 -2.186 -3.176 -5.299 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.570 -5.486 -4.383 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.836 -2.589 -3.618 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.337 -4.899 -2.300 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.564 -3.800 -3.424 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.844 -3.516 -1.524 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.833 -3.936 -2.942 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.766 -5.156 -2.209 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.176 -3.070 -1.079 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.146 -1.860 -1.950 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.932 -2.976 -0.808 1.00 2.00 H new ATOM 490 N GLN A 31 -5.411 -3.558 -6.252 1.00 7.06 N ATOM 491 CA GLN A 31 -6.599 -3.644 -7.011 1.00 8.67 C ATOM 492 C GLN A 31 -6.688 -4.806 -7.931 1.00 10.90 C ATOM 493 O GLN A 31 -7.729 -5.425 -8.105 1.00 9.63 O ATOM 494 CB GLN A 31 -6.728 -2.351 -7.830 1.00 9.12 C ATOM 495 CG GLN A 31 -8.039 -2.124 -8.648 1.00 10.76 C ATOM 496 CD GLN A 31 -8.025 -0.781 -9.388 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.008 -0.170 -9.724 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.276 -0.352 -9.743 1.00 14.76 N ATOM 0 H GLN A 31 -4.832 -2.742 -6.447 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.409 -3.784 -6.296 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.613 -1.510 -7.146 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.890 -2.313 -8.526 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.163 -2.934 -9.367 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.897 -2.160 -7.977 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.098 -0.879 -9.450 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.386 0.495 -10.301 1.00 14.76 H new ATOM 507 N ASP A 32 -5.579 -5.197 -8.565 1.00 10.93 N ATOM 508 CA ASP A 32 -5.358 -6.430 -9.230 1.00 14.01 C ATOM 509 C ASP A 32 -5.517 -7.692 -8.327 1.00 14.04 C ATOM 510 O ASP A 32 -6.164 -8.676 -8.771 1.00 13.39 O ATOM 511 CB ASP A 32 -3.933 -6.432 -10.035 1.00 18.01 C ATOM 512 CG ASP A 32 -3.707 -7.549 -10.946 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.533 -7.781 -11.841 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.659 -8.247 -10.918 1.00 25.17 O ATOM 0 H ASP A 32 -4.761 -4.590 -8.615 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.163 -6.508 -9.960 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.861 -5.506 -10.605 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.126 -6.419 -9.302 1.00 18.01 H new ATOM 519 N LYS A 33 -5.190 -7.620 -7.031 1.00 14.22 N ATOM 520 CA LYS A 33 -5.364 -8.735 -6.119 1.00 14.00 C ATOM 521 C LYS A 33 -6.780 -8.831 -5.548 1.00 12.37 C ATOM 522 O LYS A 33 -7.521 -9.799 -5.712 1.00 12.17 O ATOM 523 CB LYS A 33 -4.548 -8.713 -4.808 1.00 18.62 C ATOM 524 CG LYS A 33 -3.009 -8.655 -4.945 1.00 24.00 C ATOM 525 CD LYS A 33 -2.546 -10.025 -5.434 1.00 27.61 C ATOM 526 CE LYS A 33 -0.978 -10.049 -5.513 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.468 -11.209 -6.307 1.00 30.06 N ATOM 0 H LYS A 33 -4.799 -6.785 -6.595 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.053 -9.541 -6.784 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.869 -7.852 -4.222 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.805 -9.603 -4.233 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.715 -7.876 -5.648 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.547 -8.412 -3.988 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.899 -10.803 -4.757 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.974 -10.237 -6.414 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.625 -9.121 -5.962 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.566 -10.092 -4.505 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.571 -11.183 -6.331 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.782 -12.097 -5.865 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.838 -11.155 -7.277 1.00 30.06 H new ATOM 541 N GLU A 34 -7.337 -7.696 -4.961 1.00 10.11 N ATOM 542 CA GLU A 34 -8.606 -7.712 -4.256 1.00 10.07 C ATOM 543 C GLU A 34 -9.715 -6.949 -4.920 1.00 9.32 C ATOM 544 O GLU A 34 -10.853 -6.963 -4.438 1.00 11.61 O ATOM 545 CB GLU A 34 -8.330 -7.135 -2.791 1.00 14.77 C ATOM 546 CG GLU A 34 -7.300 -7.905 -1.955 1.00 18.75 C ATOM 547 CD GLU A 34 -7.618 -9.341 -1.647 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.414 -9.584 -0.725 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.978 -10.254 -2.206 1.00 21.95 O ATOM 0 H GLU A 34 -6.893 -6.778 -4.986 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.966 -8.741 -4.243 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.995 -6.102 -2.885 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.273 -7.116 -2.245 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.344 -7.873 -2.479 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.164 -7.377 -1.011 1.00 18.75 H new ATOM 556 N GLY A 35 -9.440 -6.264 -5.997 1.00 7.22 N ATOM 557 CA GLY A 35 -10.467 -5.522 -6.689 1.00 6.29 C ATOM 558 C GLY A 35 -10.830 -4.157 -6.287 1.00 6.93 C ATOM 559 O GLY A 35 -11.783 -3.606 -6.804 1.00 7.41 O ATOM 0 H GLY A 35 -8.513 -6.202 -6.417 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.172 -5.476 -7.737 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.377 -6.119 -6.640 1.00 6.29 H new ATOM 563 N ILE A 36 -10.149 -3.594 -5.305 1.00 5.86 N ATOM 564 CA ILE A 36 -10.562 -2.421 -4.599 1.00 6.07 C ATOM 565 C ILE A 36 -9.935 -1.216 -5.292 1.00 6.36 C ATOM 566 O ILE A 36 -8.766 -1.239 -5.542 1.00 6.18 O ATOM 567 CB ILE A 36 -10.027 -2.398 -3.200 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.238 -3.749 -2.351 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.631 -1.197 -2.394 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.243 -4.040 -1.231 1.00 9.49 C ATOM 0 H ILE A 36 -9.259 -3.966 -4.974 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.652 -2.406 -4.584 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.951 -2.289 -3.333 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.236 -3.720 -1.915 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.218 -4.589 -3.045 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.229 -1.200 -1.381 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.369 -0.260 -2.886 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.716 -1.295 -2.354 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.506 -4.980 -0.745 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.238 -4.116 -1.647 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.273 -3.233 -0.499 1.00 9.49 H new ATOM 582 N PRO A 37 -10.689 -0.189 -5.589 1.00 8.65 N ATOM 583 CA PRO A 37 -10.163 1.096 -6.165 1.00 9.18 C ATOM 584 C PRO A 37 -8.884 1.609 -5.438 1.00 9.85 C ATOM 585 O PRO A 37 -8.843 1.618 -4.211 1.00 8.51 O ATOM 586 CB PRO A 37 -11.328 2.032 -6.038 1.00 11.42 C ATOM 587 CG PRO A 37 -12.536 1.076 -6.182 1.00 9.27 C ATOM 588 CD PRO A 37 -12.124 -0.191 -5.394 1.00 8.33 C ATOM 0 HA PRO A 37 -9.826 0.987 -7.196 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.331 2.550 -5.079 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.321 2.798 -6.814 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.444 1.520 -5.774 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.737 0.845 -7.228 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.396 -0.127 -4.340 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.592 -1.092 -5.790 1.00 8.33 H new ATOM 596 N PRO A 38 -7.837 2.128 -6.052 1.00 8.71 N ATOM 597 CA PRO A 38 -6.789 2.898 -5.317 1.00 9.08 C ATOM 598 C PRO A 38 -7.112 4.258 -4.646 1.00 9.28 C ATOM 599 O PRO A 38 -6.233 4.680 -3.903 1.00 6.50 O ATOM 600 CB PRO A 38 -5.823 3.140 -6.406 1.00 10.31 C ATOM 601 CG PRO A 38 -5.825 1.871 -7.204 1.00 10.81 C ATOM 602 CD PRO A 38 -7.331 1.623 -7.291 1.00 12.00 C ATOM 0 HA PRO A 38 -6.508 2.318 -4.438 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.120 3.993 -7.017 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.830 3.360 -6.013 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.364 1.993 -8.184 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.296 1.061 -6.702 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.772 2.140 -8.143 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.555 0.563 -7.411 1.00 12.00 H new ATOM 610 N ASP A 39 -8.270 4.874 -4.958 1.00 11.20 N ATOM 611 CA ASP A 39 -8.880 6.058 -4.298 1.00 14.96 C ATOM 612 C ASP A 39 -9.666 5.662 -3.034 1.00 13.99 C ATOM 613 O ASP A 39 -9.861 6.414 -2.111 1.00 13.75 O ATOM 614 CB ASP A 39 -9.860 6.694 -5.314 1.00 24.16 C ATOM 615 CG ASP A 39 -10.269 8.052 -4.864 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.399 8.870 -4.454 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.494 8.427 -5.020 1.00 35.55 O ATOM 0 H ASP A 39 -8.847 4.539 -5.729 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.092 6.749 -3.998 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.387 6.756 -6.294 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.740 6.061 -5.424 1.00 24.16 H new ATOM 622 N GLN A 40 -9.995 4.332 -2.860 1.00 11.60 N ATOM 623 CA GLN A 40 -10.651 3.809 -1.723 1.00 10.76 C ATOM 624 C GLN A 40 -9.611 3.290 -0.695 1.00 8.01 C ATOM 625 O GLN A 40 -9.809 3.455 0.518 1.00 8.96 O ATOM 626 CB GLN A 40 -11.621 2.614 -2.048 1.00 11.14 C ATOM 627 CG GLN A 40 -12.578 2.235 -0.905 1.00 14.85 C ATOM 628 CD GLN A 40 -13.546 1.169 -1.264 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.408 0.074 -0.715 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.500 1.489 -2.147 1.00 18.16 N ATOM 0 H GLN A 40 -9.781 3.620 -3.559 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.241 4.634 -1.325 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.211 2.872 -2.928 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.024 1.740 -2.309 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.992 1.907 -0.047 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.128 3.123 -0.595 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.530 2.427 -2.548 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.196 0.795 -2.419 1.00 18.16 H new ATOM 639 N GLN A 41 -8.498 2.696 -1.207 1.00 6.52 N ATOM 640 CA GLN A 41 -7.338 2.248 -0.547 1.00 3.87 C ATOM 641 C GLN A 41 -6.548 3.361 0.101 1.00 4.79 C ATOM 642 O GLN A 41 -6.202 4.330 -0.570 1.00 6.34 O ATOM 643 CB GLN A 41 -6.379 1.483 -1.462 1.00 4.20 C ATOM 644 CG GLN A 41 -6.870 0.151 -2.003 1.00 3.20 C ATOM 645 CD GLN A 41 -5.923 -0.501 -2.995 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.762 -0.813 -2.600 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.391 -0.938 -4.175 1.00 7.13 N ATOM 0 H GLN A 41 -8.431 2.521 -2.210 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.730 1.580 0.220 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.132 2.124 -2.308 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.453 1.307 -0.914 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.031 -0.531 -1.168 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.837 0.300 -2.484 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.329 -0.678 -4.480 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.808 -1.530 -4.767 1.00 7.13 H new ATOM 656 N ARG A 42 -6.107 3.049 1.312 1.00 5.73 N ATOM 657 CA ARG A 42 -5.103 3.836 2.018 1.00 6.97 C ATOM 658 C ARG A 42 -4.056 2.865 2.522 1.00 7.15 C ATOM 659 O ARG A 42 -4.297 2.079 3.401 1.00 7.33 O ATOM 660 CB ARG A 42 -5.731 4.667 3.188 1.00 13.23 C ATOM 661 CG ARG A 42 -6.622 5.818 2.714 1.00 21.27 C ATOM 662 CD ARG A 42 -6.666 7.048 3.642 1.00 26.14 C ATOM 663 NE ARG A 42 -7.440 8.114 2.901 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.540 9.357 3.399 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.099 9.752 4.592 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.212 10.197 2.598 1.00 36.39 N ATOM 0 H ARG A 42 -6.437 2.238 1.836 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.655 4.569 1.347 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.318 4.001 3.821 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.929 5.070 3.807 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.279 6.139 1.730 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.637 5.441 2.590 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.149 6.804 4.588 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.659 7.393 3.878 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.891 7.887 2.014 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.640 9.085 5.212 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.220 10.721 4.885 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.587 9.864 1.709 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.349 11.168 2.877 1.00 36.39 H new ATOM 680 N LEU A 43 -2.750 2.948 2.040 1.00 4.65 N ATOM 681 CA LEU A 43 -1.554 2.393 2.638 1.00 3.51 C ATOM 682 C LEU A 43 -1.127 3.284 3.786 1.00 5.56 C ATOM 683 O LEU A 43 -1.200 4.518 3.759 1.00 4.19 O ATOM 684 CB LEU A 43 -0.537 2.044 1.525 1.00 3.74 C ATOM 685 CG LEU A 43 -0.984 0.907 0.574 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.151 0.904 -0.692 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.959 -0.454 1.270 1.00 6.41 C ATOM 0 H LEU A 43 -2.542 3.442 1.172 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.700 1.428 3.122 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.345 2.939 0.934 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.407 1.760 1.990 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.019 1.098 0.291 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.484 0.097 -1.344 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.268 1.858 -1.207 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.898 0.755 -0.437 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.279 -1.226 0.571 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.054 -0.670 1.611 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.634 -0.437 2.126 1.00 6.41 H new ATOM 699 N ILE A 44 -0.749 2.559 4.885 1.00 4.58 N ATOM 700 CA ILE A 44 -0.253 3.061 6.120 1.00 5.55 C ATOM 701 C ILE A 44 1.042 2.376 6.394 1.00 5.46 C ATOM 702 O ILE A 44 1.126 1.176 6.371 1.00 6.04 O ATOM 703 CB ILE A 44 -1.308 2.885 7.192 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.605 3.629 6.869 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.739 3.301 8.553 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.892 3.322 7.606 1.00 13.90 C ATOM 0 H ILE A 44 -0.803 1.540 4.887 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.050 4.132 6.093 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.574 1.829 7.230 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.405 4.691 7.008 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.802 3.478 5.808 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.502 3.173 9.321 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.124 2.680 8.792 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.434 4.347 8.516 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.690 3.959 7.226 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.159 2.276 7.453 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.755 3.509 8.671 1.00 13.90 H new ATOM 718 N PHE A 45 2.125 3.171 6.720 1.00 6.75 N ATOM 719 CA PHE A 45 3.297 2.535 7.299 1.00 4.70 C ATOM 720 C PHE A 45 3.957 3.506 8.286 1.00 6.34 C ATOM 721 O PHE A 45 3.844 4.696 8.066 1.00 5.45 O ATOM 722 CB PHE A 45 4.189 2.238 6.152 1.00 5.51 C ATOM 723 CG PHE A 45 5.460 1.547 6.533 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.523 0.147 6.731 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.605 2.336 6.784 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.758 -0.439 7.112 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.841 1.770 7.252 1.00 6.64 C ATOM 728 CZ PHE A 45 7.896 0.398 7.343 1.00 6.84 C ATOM 0 H PHE A 45 2.182 4.181 6.591 1.00 6.75 H new ATOM 0 HA PHE A 45 3.061 1.625 7.851 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.650 1.617 5.437 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.433 3.171 5.643 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.644 -0.466 6.594 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.550 3.402 6.618 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.839 -1.510 7.227 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.684 2.390 7.519 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.837 -0.066 7.599 1.00 6.84 H new ATOM 738 N ALA A 46 4.498 3.005 9.440 1.00 6.53 N ATOM 739 CA ALA A 46 5.035 3.759 10.551 1.00 7.15 C ATOM 740 C ALA A 46 4.147 4.846 11.181 1.00 9.00 C ATOM 741 O ALA A 46 4.645 5.864 11.702 1.00 11.15 O ATOM 742 CB ALA A 46 6.365 4.429 10.086 1.00 8.99 C ATOM 0 H ALA A 46 4.561 1.999 9.599 1.00 6.53 H new ATOM 0 HA ALA A 46 5.151 3.018 11.342 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.790 5.004 10.909 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.072 3.659 9.779 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.163 5.093 9.245 1.00 8.99 H new ATOM 748 N GLY A 47 2.828 4.499 11.333 1.00 9.35 N ATOM 749 CA GLY A 47 1.773 5.382 11.887 1.00 11.68 C ATOM 750 C GLY A 47 1.347 6.491 10.909 1.00 11.14 C ATOM 751 O GLY A 47 0.545 7.303 11.248 1.00 13.93 O ATOM 0 H GLY A 47 2.474 3.580 11.066 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.902 4.780 12.148 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.134 5.837 12.809 1.00 11.68 H new ATOM 755 N LYS A 48 1.930 6.481 9.666 1.00 10.47 N ATOM 756 CA LYS A 48 1.698 7.515 8.643 1.00 8.82 C ATOM 757 C LYS A 48 0.957 6.911 7.490 1.00 7.68 C ATOM 758 O LYS A 48 1.358 5.897 6.925 1.00 6.47 O ATOM 759 CB LYS A 48 2.993 8.076 8.138 1.00 9.74 C ATOM 760 CG LYS A 48 3.851 8.740 9.224 1.00 14.14 C ATOM 761 CD LYS A 48 5.216 9.191 8.719 1.00 16.32 C ATOM 762 CE LYS A 48 6.174 8.012 8.269 1.00 20.04 C ATOM 763 NZ LYS A 48 7.506 8.446 7.883 1.00 23.92 N ATOM 0 H LYS A 48 2.571 5.748 9.362 1.00 10.47 H new ATOM 0 HA LYS A 48 1.119 8.319 9.096 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.568 7.275 7.674 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.781 8.808 7.359 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.316 9.601 9.624 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.989 8.040 10.048 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.072 9.867 7.876 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.709 9.763 9.505 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.259 7.295 9.086 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.717 7.487 7.430 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.072 7.620 7.602 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.438 9.107 7.083 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.963 8.922 8.687 1.00 23.92 H new ATOM 777 N GLN A 49 -0.059 7.567 6.978 1.00 8.89 N ATOM 778 CA GLN A 49 -0.803 7.373 5.781 1.00 7.18 C ATOM 779 C GLN A 49 0.164 7.767 4.575 1.00 8.23 C ATOM 780 O GLN A 49 0.737 8.820 4.551 1.00 9.70 O ATOM 781 CB GLN A 49 -2.144 8.143 5.746 1.00 11.67 C ATOM 782 CG GLN A 49 -3.155 7.846 6.840 1.00 15.82 C ATOM 783 CD GLN A 49 -4.478 8.492 6.623 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.490 7.892 6.232 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.453 9.834 6.977 1.00 20.67 N ATOM 0 H GLN A 49 -0.428 8.372 7.484 1.00 8.89 H new ATOM 0 HA GLN A 49 -1.113 6.331 5.707 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.920 9.209 5.776 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.620 7.945 4.786 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.294 6.767 6.911 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.751 8.178 7.796 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.582 10.263 7.291 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.305 10.392 6.923 1.00 20.67 H new ATOM 794 N LEU A 50 0.323 6.978 3.512 1.00 6.51 N ATOM 795 CA LEU A 50 1.211 7.211 2.420 1.00 7.41 C ATOM 796 C LEU A 50 0.655 7.959 1.184 1.00 8.27 C ATOM 797 O LEU A 50 -0.500 7.927 0.870 1.00 8.34 O ATOM 798 CB LEU A 50 1.783 5.854 1.948 1.00 7.13 C ATOM 799 CG LEU A 50 2.412 5.018 3.025 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.735 3.629 2.527 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.594 5.566 3.725 1.00 9.11 C ATOM 0 H LEU A 50 -0.206 6.113 3.403 1.00 6.51 H new ATOM 0 HA LEU A 50 1.957 7.891 2.832 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.980 5.280 1.487 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.527 6.041 1.174 1.00 7.13 H new ATOM 0 HG LEU A 50 1.628 5.008 3.782 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.189 3.050 3.332 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.819 3.138 2.199 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.431 3.695 1.690 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.937 4.852 4.474 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.392 5.748 3.005 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.326 6.503 4.213 1.00 9.11 H new ATOM 813 N GLU A 51 1.526 8.650 0.399 1.00 9.43 N ATOM 814 CA GLU A 51 1.017 9.354 -0.811 1.00 11.90 C ATOM 815 C GLU A 51 1.489 8.678 -2.127 1.00 11.49 C ATOM 816 O GLU A 51 2.570 8.129 -2.170 1.00 9.88 O ATOM 817 CB GLU A 51 1.513 10.805 -0.869 1.00 16.56 C ATOM 818 CG GLU A 51 0.960 11.692 0.271 1.00 26.06 C ATOM 819 CD GLU A 51 0.748 13.070 -0.125 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.739 13.775 -0.517 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.412 13.540 0.044 1.00 32.13 O ATOM 0 H GLU A 51 2.529 8.734 0.567 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.069 9.312 -0.729 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.602 10.810 -0.827 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.229 11.240 -1.827 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.017 11.273 0.623 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.654 11.666 1.111 1.00 26.06 H new ATOM 828 N ASP A 52 0.635 8.668 -3.150 1.00 12.71 N ATOM 829 CA ASP A 52 0.690 7.942 -4.398 1.00 16.56 C ATOM 830 C ASP A 52 2.067 7.962 -5.138 1.00 15.83 C ATOM 831 O ASP A 52 2.449 6.963 -5.674 1.00 17.21 O ATOM 832 CB ASP A 52 -0.487 8.516 -5.318 1.00 21.05 C ATOM 833 CG ASP A 52 -1.795 8.250 -4.614 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.126 8.630 -3.479 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.626 7.557 -5.306 1.00 25.82 O ATOM 0 H ASP A 52 -0.208 9.240 -3.108 1.00 12.71 H new ATOM 0 HA ASP A 52 0.560 6.883 -4.175 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.354 9.585 -5.486 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.475 8.036 -6.297 1.00 21.05 H new ATOM 840 N GLY A 53 2.666 9.142 -5.404 1.00 15.00 N ATOM 841 CA GLY A 53 3.863 9.420 -6.179 1.00 11.77 C ATOM 842 C GLY A 53 5.195 9.139 -5.514 1.00 11.10 C ATOM 843 O GLY A 53 6.191 9.223 -6.202 1.00 11.25 O ATOM 0 H GLY A 53 2.269 10.006 -5.035 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.814 8.837 -7.099 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.843 10.471 -6.467 1.00 11.77 H new ATOM 847 N ARG A 54 5.260 8.859 -4.207 1.00 8.53 N ATOM 848 CA ARG A 54 6.538 8.513 -3.523 1.00 9.05 C ATOM 849 C ARG A 54 6.953 7.049 -3.769 1.00 8.96 C ATOM 850 O ARG A 54 6.075 6.219 -4.028 1.00 11.60 O ATOM 851 CB ARG A 54 6.412 8.725 -2.040 1.00 7.97 C ATOM 852 CG ARG A 54 5.581 9.966 -1.724 1.00 9.62 C ATOM 853 CD ARG A 54 6.254 11.327 -2.016 1.00 12.20 C ATOM 854 NE ARG A 54 5.332 12.365 -1.505 1.00 18.23 N ATOM 855 CZ ARG A 54 5.391 12.900 -0.241 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.432 12.793 0.562 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.358 13.563 0.153 1.00 23.38 N ATOM 0 H ARG A 54 4.448 8.862 -3.590 1.00 8.53 H new ATOM 0 HA ARG A 54 7.302 9.168 -3.941 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.950 7.850 -1.584 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.404 8.828 -1.600 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.654 9.912 -2.294 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.309 9.937 -0.669 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.225 11.394 -1.525 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.428 11.453 -3.085 1.00 12.20 H new ATOM 0 HE ARG A 54 4.604 12.706 -2.133 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.263 12.287 0.255 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.406 13.216 1.490 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.553 13.668 -0.465 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.346 13.983 1.083 1.00 23.38 H new ATOM 871 N THR A 55 8.305 6.742 -3.742 1.00 9.05 N ATOM 872 CA THR A 55 8.679 5.337 -3.926 1.00 9.03 C ATOM 873 C THR A 55 8.698 4.577 -2.609 1.00 8.15 C ATOM 874 O THR A 55 8.667 5.123 -1.495 1.00 5.91 O ATOM 875 CB THR A 55 9.981 5.115 -4.691 1.00 11.15 C ATOM 876 OG1 THR A 55 11.092 5.773 -4.075 1.00 11.95 O ATOM 877 CG2 THR A 55 9.842 5.747 -6.055 1.00 11.71 C ATOM 0 H THR A 55 9.070 7.402 -3.606 1.00 9.05 H new ATOM 0 HA THR A 55 7.890 4.932 -4.560 1.00 9.03 H new ATOM 0 HB THR A 55 10.158 4.040 -4.721 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.817 5.129 -3.935 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.763 5.600 -6.620 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.012 5.284 -6.588 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.651 6.814 -5.944 1.00 11.71 H new ATOM 885 N LEU A 56 8.828 3.243 -2.695 1.00 6.91 N ATOM 886 CA LEU A 56 9.057 2.369 -1.547 1.00 8.29 C ATOM 887 C LEU A 56 10.407 2.663 -0.852 1.00 8.05 C ATOM 888 O LEU A 56 10.399 2.754 0.348 1.00 10.17 O ATOM 889 CB LEU A 56 8.961 0.933 -1.980 1.00 6.60 C ATOM 890 CG LEU A 56 7.508 0.405 -2.162 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.502 -0.897 -3.023 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.727 0.121 -0.890 1.00 8.64 C ATOM 0 H LEU A 56 8.775 2.740 -3.581 1.00 6.91 H new ATOM 0 HA LEU A 56 8.283 2.567 -0.806 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.497 0.815 -2.922 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.470 0.311 -1.244 1.00 6.60 H new ATOM 0 HG LEU A 56 7.001 1.236 -2.653 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.478 -1.251 -3.140 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.927 -0.686 -4.004 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.097 -1.664 -2.527 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.731 -0.241 -1.147 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.248 -0.636 -0.305 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.640 1.036 -0.304 1.00 8.64 H new ATOM 904 N SER A 57 11.480 2.927 -1.673 1.00 8.92 N ATOM 905 CA SER A 57 12.749 3.456 -1.231 1.00 9.00 C ATOM 906 C SER A 57 12.747 4.891 -0.542 1.00 9.44 C ATOM 907 O SER A 57 13.448 5.083 0.427 1.00 10.91 O ATOM 908 CB SER A 57 13.777 3.452 -2.337 1.00 10.32 C ATOM 909 OG SER A 57 13.382 4.328 -3.447 1.00 13.59 O ATOM 0 H SER A 57 11.449 2.761 -2.679 1.00 8.92 H new ATOM 0 HA SER A 57 13.010 2.757 -0.436 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.739 3.777 -1.941 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.911 2.435 -2.706 1.00 10.32 H new ATOM 0 HG SER A 57 14.070 4.303 -4.144 1.00 13.59 H new ATOM 915 N ASP A 58 11.929 5.842 -0.958 1.00 9.11 N ATOM 916 CA ASP A 58 11.788 7.122 -0.368 1.00 7.91 C ATOM 917 C ASP A 58 11.241 7.063 1.025 1.00 9.12 C ATOM 918 O ASP A 58 11.719 7.706 1.946 1.00 8.61 O ATOM 919 CB ASP A 58 11.019 8.157 -1.291 1.00 8.41 C ATOM 920 CG ASP A 58 10.933 9.600 -0.797 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.986 10.182 -0.468 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.805 10.122 -0.840 1.00 10.05 O ATOM 0 H ASP A 58 11.319 5.714 -1.765 1.00 9.11 H new ATOM 0 HA ASP A 58 12.801 7.514 -0.276 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.502 8.162 -2.268 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.004 7.789 -1.439 1.00 8.41 H new ATOM 927 N TYR A 59 10.129 6.270 1.203 1.00 7.97 N ATOM 928 CA TYR A 59 9.431 5.926 2.416 1.00 8.45 C ATOM 929 C TYR A 59 10.115 4.961 3.320 1.00 10.98 C ATOM 930 O TYR A 59 9.721 4.775 4.493 1.00 12.95 O ATOM 931 CB TYR A 59 7.940 5.444 2.095 1.00 7.94 C ATOM 932 CG TYR A 59 6.976 6.605 2.068 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.822 7.456 3.186 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.055 6.743 1.029 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.829 8.448 3.272 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.028 7.708 1.047 1.00 6.52 C ATOM 937 CZ TYR A 59 4.935 8.584 2.177 1.00 6.76 C ATOM 938 OH TYR A 59 3.800 9.393 2.248 1.00 7.63 O ATOM 0 H TYR A 59 9.685 5.831 0.397 1.00 7.97 H new ATOM 0 HA TYR A 59 9.416 6.856 2.985 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.921 4.932 1.133 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.620 4.722 2.846 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.502 7.338 4.017 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.132 6.084 0.177 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.749 9.084 4.141 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.328 7.785 0.228 1.00 6.52 H new ATOM 0 HH TYR A 59 3.851 10.090 1.561 1.00 7.63 H new ATOM 948 N ASN A 60 11.144 4.317 2.827 1.00 12.38 N ATOM 949 CA ASN A 60 12.045 3.462 3.650 1.00 13.94 C ATOM 950 C ASN A 60 11.335 2.141 3.969 1.00 14.16 C ATOM 951 O ASN A 60 11.548 1.512 4.985 1.00 14.26 O ATOM 952 CB ASN A 60 12.619 4.006 4.979 1.00 19.23 C ATOM 953 CG ASN A 60 13.244 5.283 4.631 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.537 6.314 4.617 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.569 5.332 4.311 1.00 24.09 N ATOM 0 H ASN A 60 11.404 4.354 1.841 1.00 12.38 H new ATOM 0 HA ASN A 60 12.919 3.382 3.004 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.833 4.142 5.722 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.346 3.315 5.407 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.999 6.221 4.055 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.130 4.480 4.328 1.00 24.09 H new ATOM 962 N ILE A 61 10.517 1.683 3.040 1.00 11.08 N ATOM 963 CA ILE A 61 9.815 0.477 3.109 1.00 11.78 C ATOM 964 C ILE A 61 10.739 -0.545 2.400 1.00 13.74 C ATOM 965 O ILE A 61 10.629 -0.803 1.201 1.00 14.60 O ATOM 966 CB ILE A 61 8.498 0.644 2.462 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.591 1.614 3.296 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.819 -0.753 2.374 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.375 2.043 2.499 1.00 11.42 C ATOM 0 H ILE A 61 10.335 2.196 2.177 1.00 11.08 H new ATOM 0 HA ILE A 61 9.593 0.138 4.121 1.00 11.78 H new ATOM 0 HB ILE A 61 8.632 1.071 1.468 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.272 1.120 4.214 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.166 2.492 3.590 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.843 -0.654 1.899 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.443 -1.424 1.784 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.694 -1.161 3.377 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.764 2.715 3.101 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.696 2.558 1.594 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.789 1.165 2.228 1.00 11.42 H new ATOM 981 N GLN A 62 11.677 -1.151 3.151 1.00 13.97 N ATOM 982 CA GLN A 62 12.698 -2.145 2.720 1.00 15.52 C ATOM 983 C GLN A 62 12.211 -3.497 2.373 1.00 13.94 C ATOM 984 O GLN A 62 10.996 -3.692 2.559 1.00 12.15 O ATOM 985 CB GLN A 62 13.925 -2.245 3.695 1.00 19.53 C ATOM 986 CG GLN A 62 13.561 -2.897 5.116 1.00 26.38 C ATOM 987 CD GLN A 62 14.877 -2.949 5.897 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.780 -3.730 5.668 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.025 -1.962 6.823 1.00 32.71 N ATOM 0 H GLN A 62 11.753 -0.950 4.148 1.00 13.97 H new ATOM 0 HA GLN A 62 13.025 -1.711 1.775 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.708 -2.838 3.222 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.334 -1.247 3.856 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.817 -2.299 5.642 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.139 -3.894 4.993 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.259 -1.314 7.005 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.902 -1.871 7.335 1.00 32.71 H new ATOM 998 N LYS A 63 13.099 -4.434 1.989 1.00 11.73 N ATOM 999 CA LYS A 63 12.625 -5.820 1.761 1.00 11.97 C ATOM 1000 C LYS A 63 12.029 -6.509 2.961 1.00 10.41 C ATOM 1001 O LYS A 63 12.586 -6.400 4.004 1.00 9.59 O ATOM 1002 CB LYS A 63 13.653 -6.733 1.058 1.00 13.73 C ATOM 1003 CG LYS A 63 14.912 -7.080 1.856 1.00 16.98 C ATOM 1004 CD LYS A 63 15.658 -8.296 1.293 1.00 20.19 C ATOM 1005 CE LYS A 63 16.810 -8.816 2.218 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.609 -9.858 1.548 1.00 25.97 N ATOM 0 H LYS A 63 14.095 -4.276 1.836 1.00 11.73 H new ATOM 0 HA LYS A 63 11.799 -5.661 1.068 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.154 -7.663 0.785 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.959 -6.251 0.129 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.581 -6.220 1.861 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.637 -7.276 2.892 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.945 -9.104 1.128 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.075 -8.036 0.320 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.456 -7.984 2.499 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.386 -9.216 3.139 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.363 -10.181 2.187 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.996 -10.661 1.302 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.032 -9.468 0.682 1.00 25.97 H new ATOM 1020 N GLU A 64 10.977 -7.239 2.734 1.00 10.04 N ATOM 1021 CA GLU A 64 10.173 -7.933 3.706 1.00 10.94 C ATOM 1022 C GLU A 64 9.510 -6.923 4.674 1.00 9.74 C ATOM 1023 O GLU A 64 9.275 -7.261 5.813 1.00 9.42 O ATOM 1024 CB GLU A 64 10.922 -9.079 4.410 1.00 18.31 C ATOM 1025 CG GLU A 64 11.362 -10.204 3.488 1.00 24.16 C ATOM 1026 CD GLU A 64 12.006 -11.320 4.284 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.844 -11.038 5.162 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.669 -12.512 3.996 1.00 31.72 O ATOM 0 H GLU A 64 10.627 -7.378 1.786 1.00 10.04 H new ATOM 0 HA GLU A 64 9.369 -8.442 3.175 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.801 -8.670 4.908 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.279 -9.493 5.187 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.503 -10.590 2.939 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.067 -9.822 2.749 1.00 24.16 H new ATOM 1035 N SER A 65 9.095 -5.707 4.281 1.00 6.85 N ATOM 1036 CA SER A 65 8.423 -4.818 5.215 1.00 6.90 C ATOM 1037 C SER A 65 6.951 -5.139 5.301 1.00 4.72 C ATOM 1038 O SER A 65 6.358 -5.779 4.395 1.00 3.91 O ATOM 1039 CB SER A 65 8.501 -3.343 4.720 1.00 7.28 C ATOM 1040 OG SER A 65 9.774 -2.742 5.047 1.00 10.56 O ATOM 0 H SER A 65 9.214 -5.332 3.340 1.00 6.85 H new ATOM 0 HA SER A 65 8.917 -4.949 6.178 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.349 -3.312 3.641 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.697 -2.763 5.172 1.00 7.28 H new ATOM 0 HG SER A 65 10.432 -2.976 4.360 1.00 10.56 H new ATOM 1046 N THR A 66 6.282 -4.685 6.391 1.00 4.48 N ATOM 1047 CA THR A 66 4.818 -4.833 6.575 1.00 3.80 C ATOM 1048 C THR A 66 4.179 -3.525 6.581 1.00 4.60 C ATOM 1049 O THR A 66 4.557 -2.666 7.377 1.00 5.33 O ATOM 1050 CB THR A 66 4.528 -5.765 7.743 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.117 -7.005 7.395 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.021 -5.885 7.907 1.00 3.40 C ATOM 0 H THR A 66 6.743 -4.207 7.165 1.00 4.48 H new ATOM 0 HA THR A 66 4.351 -5.337 5.729 1.00 3.80 H new ATOM 0 HB THR A 66 4.931 -5.407 8.690 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.965 -7.653 8.114 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.798 -6.550 8.741 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.597 -4.900 8.105 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.587 -6.290 6.993 1.00 3.40 H new ATOM 1060 N LEU A 67 3.185 -3.417 5.665 1.00 4.17 N ATOM 1061 CA LEU A 67 2.422 -2.215 5.426 1.00 3.85 C ATOM 1062 C LEU A 67 1.047 -2.517 5.942 1.00 3.80 C ATOM 1063 O LEU A 67 0.706 -3.678 5.918 1.00 5.54 O ATOM 1064 CB LEU A 67 2.305 -1.774 3.901 1.00 7.18 C ATOM 1065 CG LEU A 67 3.637 -1.410 3.190 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.562 -2.590 2.934 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.442 -0.700 1.857 1.00 11.66 C ATOM 0 H LEU A 67 2.902 -4.195 5.069 1.00 4.17 H new ATOM 0 HA LEU A 67 2.929 -1.385 5.918 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.830 -2.583 3.346 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.639 -0.913 3.843 1.00 7.18 H new ATOM 0 HG LEU A 67 4.102 -0.739 3.912 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.466 -2.242 2.435 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.828 -3.056 3.883 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.056 -3.319 2.301 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.414 -0.477 1.418 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.878 -1.343 1.181 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.894 0.229 2.016 1.00 11.66 H new ATOM 1079 N HIS A 68 0.293 -1.531 6.362 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.119 -1.704 6.635 1.00 4.17 C ATOM 1081 C HIS A 68 -2.009 -1.029 5.633 1.00 5.32 C ATOM 1082 O HIS A 68 -1.591 -0.103 4.889 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.459 -1.129 8.019 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.023 -2.008 9.133 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.285 -2.134 9.573 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.750 -2.639 10.094 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.236 -2.868 10.723 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.970 -3.124 11.075 1.00 16.30 N ATOM 0 H HIS A 68 0.637 -0.585 6.525 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.302 -2.777 6.585 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.987 -0.153 8.127 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.535 -0.972 8.087 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.825 -2.738 10.071 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.108 -3.194 11.270 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.275 -3.598 11.925 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.187 -1.601 5.411 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.210 -1.148 4.450 1.00 3.97 C ATOM 1098 C LEU A 69 -5.560 -0.987 5.105 1.00 5.07 C ATOM 1099 O LEU A 69 -6.024 -1.847 5.856 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.386 -2.263 3.339 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.328 -2.037 2.140 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.729 -0.887 1.265 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.491 -3.262 1.311 1.00 9.96 C ATOM 0 H LEU A 69 -3.478 -2.437 5.918 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.880 -0.192 4.044 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.396 -2.472 2.934 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.721 -3.169 3.844 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.316 -1.775 2.518 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.378 -0.706 0.408 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.654 0.022 1.861 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.737 -1.175 0.915 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.163 -3.052 0.479 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.520 -3.571 0.924 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.909 -4.062 1.922 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.242 0.198 4.907 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.599 0.458 5.372 1.00 6.26 C ATOM 1117 C VAL A 70 -8.325 1.062 4.193 1.00 9.22 C ATOM 1118 O VAL A 70 -7.658 1.443 3.227 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.688 1.379 6.580 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.944 0.756 7.789 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -7.130 2.767 6.210 1.00 8.54 C ATOM 0 H VAL A 70 -5.832 0.989 4.410 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.042 -0.476 5.717 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.730 1.502 6.874 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.016 1.426 8.645 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.397 -0.203 8.040 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.895 0.606 7.533 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.194 3.427 7.075 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.089 2.670 5.903 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.713 3.187 5.390 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.696 1.070 4.253 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.528 1.466 3.166 1.00 16.06 C ATOM 1133 C LEU A 71 -11.390 2.611 3.569 1.00 18.09 C ATOM 1134 O LEU A 71 -12.182 2.569 4.550 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.374 0.298 2.515 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.592 -0.958 2.010 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.573 -1.947 1.255 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.411 -0.588 1.064 1.00 19.57 C ATOM 0 H LEU A 71 -10.217 0.792 5.084 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.851 1.781 2.372 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.109 -0.035 3.248 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.928 0.712 1.672 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.173 -1.441 2.893 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.016 -2.818 0.908 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.361 -2.268 1.936 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.017 -1.437 0.401 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.903 -1.498 0.743 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.796 -0.060 0.191 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.707 0.053 1.595 1.00 19.57 H new