USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 45 LYS NZ :NH3+ -126:sc= -0.441 (180deg=0) USER MOD Set 1.2: A 80 GLN : amide:sc= -1.3 K(o=-1.7,f=0.41) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.703 K(o=0.7,f=-0.034) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.05 USER MOD Single : A 35 LYS NZ :NH3+ 168:sc=-0.00689 (180deg=-0.14) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.12) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= -12.1! (180deg=-12.6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.294 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.014) USER MOD Single : A 56 HIS : no HD1:sc= -0.645 X(o=-0.64,f=-0.17) USER MOD Single : A 58 GLN : amide:sc= -2.18 K(o=-2.2,f=-1.5) USER MOD Single : A 60 HIS : no HD1:sc= -1.02 X(o=-1,f=-1.4) USER MOD Single : A 62 SER OG : rot 71:sc= 0.129 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.545 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 120:sc= -0.185 USER MOD Single : A 75 HIS : no HD1:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 15:sc= -0.872 USER MOD Single : A 89 CYS SG : rot -111:sc= -6.25! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -44:sc= -7.13! USER MOD Single : A 94 LYS NZ :NH3+ 140:sc= -1.26! (180deg=-3.76!) USER MOD Single : A 96 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.18) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 50:sc= -0.409 USER MOD Single : A 101 ASN : amide:sc= 0.492 K(o=0.49,f=-0.51) USER MOD Single : A 103 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.013) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 107 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -18.890 -9.217 -1.373 1.00 0.70 N ATOM 14 CA ASP A 2 -19.874 -8.699 -2.284 1.00 0.72 C ATOM 15 C ASP A 2 -19.206 -7.987 -3.458 1.00 0.70 C ATOM 16 O ASP A 2 -18.002 -7.713 -3.407 1.00 0.75 O ATOM 17 CB ASP A 2 -20.731 -7.728 -1.497 1.00 0.79 C ATOM 18 CG ASP A 2 -21.688 -8.416 -0.551 1.00 1.04 C ATOM 19 OD1 ASP A 2 -22.713 -8.948 -1.011 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.411 -8.411 0.665 1.00 1.65 O ATOM 0 HA ASP A 2 -20.476 -9.507 -2.700 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.084 -7.060 -0.928 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.298 -7.108 -2.191 1.00 0.79 H new ATOM 25 N PRO A 3 -19.964 -7.675 -4.525 1.00 0.71 N ATOM 26 CA PRO A 3 -19.442 -6.947 -5.691 1.00 0.72 C ATOM 27 C PRO A 3 -19.133 -5.482 -5.378 1.00 0.66 C ATOM 28 O PRO A 3 -19.812 -4.563 -5.835 1.00 0.97 O ATOM 29 CB PRO A 3 -20.566 -7.062 -6.724 1.00 0.84 C ATOM 30 CG PRO A 3 -21.803 -7.247 -5.916 1.00 0.94 C ATOM 31 CD PRO A 3 -21.389 -8.025 -4.696 1.00 0.81 C ATOM 0 HA PRO A 3 -18.494 -7.361 -6.036 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -20.628 -6.167 -7.344 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -20.402 -7.904 -7.396 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.235 -6.286 -5.638 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -22.563 -7.785 -6.483 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -21.978 -7.744 -3.823 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -21.524 -9.097 -4.840 1.00 0.81 H new ATOM 39 N ILE A 4 -18.120 -5.294 -4.554 1.00 0.45 N ATOM 40 CA ILE A 4 -17.582 -3.981 -4.250 1.00 0.41 C ATOM 41 C ILE A 4 -16.467 -3.676 -5.212 1.00 0.41 C ATOM 42 O ILE A 4 -16.467 -2.653 -5.892 1.00 0.50 O ATOM 43 CB ILE A 4 -17.040 -3.929 -2.805 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.172 -3.617 -1.840 1.00 0.42 C ATOM 45 CG2 ILE A 4 -15.906 -2.916 -2.646 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.220 -4.693 -1.802 1.00 0.46 C ATOM 0 H ILE A 4 -17.642 -6.056 -4.072 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.379 -3.243 -4.346 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.624 -4.909 -2.574 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.762 -3.480 -0.839 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.637 -2.674 -2.126 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.559 -2.917 -1.613 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.081 -3.186 -3.306 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.268 -1.921 -2.906 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.002 -4.414 -1.096 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.654 -4.814 -2.795 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.766 -5.633 -1.488 1.00 0.46 H new ATOM 58 N GLY A 5 -15.508 -4.580 -5.239 1.00 0.36 N ATOM 59 CA GLY A 5 -14.350 -4.372 -6.058 1.00 0.39 C ATOM 60 C GLY A 5 -13.397 -3.532 -5.282 1.00 0.33 C ATOM 61 O GLY A 5 -12.917 -2.499 -5.744 1.00 0.33 O ATOM 0 H GLY A 5 -15.514 -5.451 -4.708 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -13.892 -5.325 -6.324 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.624 -3.879 -6.991 1.00 0.39 H new ATOM 65 N LEU A 6 -13.206 -3.984 -4.055 1.00 0.32 N ATOM 66 CA LEU A 6 -12.437 -3.296 -3.049 1.00 0.29 C ATOM 67 C LEU A 6 -11.090 -2.931 -3.617 1.00 0.29 C ATOM 68 O LEU A 6 -10.618 -1.806 -3.476 1.00 0.33 O ATOM 69 CB LEU A 6 -12.300 -4.231 -1.858 1.00 0.29 C ATOM 70 CG LEU A 6 -12.255 -3.576 -0.494 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.405 -2.600 -0.316 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.311 -4.654 0.555 1.00 0.28 C ATOM 0 H LEU A 6 -13.596 -4.868 -3.728 1.00 0.32 H new ATOM 0 HA LEU A 6 -12.925 -2.374 -2.733 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.136 -4.931 -1.874 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.390 -4.818 -1.986 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.330 -3.008 -0.396 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.346 -2.145 0.673 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.343 -1.822 -1.077 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.352 -3.131 -0.416 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.280 -4.200 1.545 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.235 -5.221 0.445 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.459 -5.323 0.435 1.00 0.28 H new ATOM 84 N PHE A 7 -10.503 -3.890 -4.294 1.00 0.30 N ATOM 85 CA PHE A 7 -9.316 -3.651 -5.057 1.00 0.32 C ATOM 86 C PHE A 7 -9.690 -3.074 -6.411 1.00 0.29 C ATOM 87 O PHE A 7 -9.823 -3.790 -7.403 1.00 0.32 O ATOM 88 CB PHE A 7 -8.533 -4.948 -5.200 1.00 0.41 C ATOM 89 CG PHE A 7 -7.303 -4.995 -4.346 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.147 -4.133 -3.269 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.301 -5.906 -4.622 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.011 -4.184 -2.486 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.165 -5.960 -3.848 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.019 -5.097 -2.776 1.00 0.61 C ATOM 0 H PHE A 7 -10.839 -4.852 -4.327 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.681 -2.928 -4.545 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.180 -5.786 -4.939 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.247 -5.079 -6.244 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -7.922 -3.416 -3.041 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.411 -6.584 -5.456 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -5.900 -3.511 -1.649 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.388 -6.675 -4.077 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.128 -5.139 -2.167 1.00 0.61 H new ATOM 104 N VAL A 8 -9.894 -1.766 -6.419 1.00 0.28 N ATOM 105 CA VAL A 8 -10.183 -1.028 -7.642 1.00 0.34 C ATOM 106 C VAL A 8 -8.971 -1.096 -8.559 1.00 0.44 C ATOM 107 O VAL A 8 -9.076 -1.015 -9.783 1.00 0.63 O ATOM 108 CB VAL A 8 -10.523 0.446 -7.333 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.990 1.181 -8.580 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.578 0.533 -6.240 1.00 0.33 C ATOM 0 H VAL A 8 -9.864 -1.186 -5.581 1.00 0.28 H new ATOM 0 HA VAL A 8 -11.048 -1.478 -8.129 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.612 0.930 -6.981 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -11.221 2.216 -8.327 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -10.202 1.159 -9.332 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.883 0.696 -8.975 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.805 1.579 -6.036 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.484 0.023 -6.567 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.202 0.059 -5.333 1.00 0.33 H new ATOM 120 N MET A 9 -7.822 -1.243 -7.924 1.00 0.43 N ATOM 121 CA MET A 9 -6.562 -1.487 -8.593 1.00 0.65 C ATOM 122 C MET A 9 -5.587 -1.999 -7.545 1.00 0.44 C ATOM 123 O MET A 9 -5.703 -1.628 -6.377 1.00 0.44 O ATOM 124 CB MET A 9 -6.025 -0.213 -9.248 1.00 1.05 C ATOM 125 CG MET A 9 -4.764 -0.441 -10.059 1.00 1.45 C ATOM 126 SD MET A 9 -5.034 -1.532 -11.470 1.00 2.35 S ATOM 127 CE MET A 9 -3.380 -1.611 -12.154 1.00 2.88 C ATOM 0 H MET A 9 -7.740 -1.195 -6.908 1.00 0.43 H new ATOM 0 HA MET A 9 -6.696 -2.219 -9.390 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.795 0.206 -9.896 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.822 0.527 -8.474 1.00 1.05 H new ATOM 0 HG2 MET A 9 -4.386 0.518 -10.413 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.995 -0.869 -9.416 1.00 1.45 H new ATOM 0 HE1 MET A 9 -3.381 -2.251 -13.036 1.00 2.88 H new ATOM 0 HE2 MET A 9 -3.053 -0.609 -12.433 1.00 2.88 H new ATOM 0 HE3 MET A 9 -2.698 -2.021 -11.409 1.00 2.88 H new ATOM 137 N ARG A 10 -4.647 -2.847 -7.920 1.00 0.47 N ATOM 138 CA ARG A 10 -3.665 -3.314 -6.965 1.00 0.41 C ATOM 139 C ARG A 10 -2.266 -2.844 -7.344 1.00 0.39 C ATOM 140 O ARG A 10 -1.927 -2.764 -8.524 1.00 0.45 O ATOM 141 CB ARG A 10 -3.695 -4.835 -6.821 1.00 0.46 C ATOM 142 CG ARG A 10 -3.374 -5.616 -8.085 1.00 0.97 C ATOM 143 CD ARG A 10 -2.861 -7.002 -7.728 1.00 1.34 C ATOM 144 NE ARG A 10 -1.558 -6.924 -7.070 1.00 2.11 N ATOM 145 CZ ARG A 10 -0.595 -7.829 -7.204 1.00 2.72 C ATOM 146 NH1 ARG A 10 -0.825 -8.963 -7.860 1.00 2.74 N ATOM 147 NH2 ARG A 10 0.594 -7.602 -6.659 1.00 3.67 N ATOM 0 H ARG A 10 -4.545 -3.220 -8.864 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.926 -2.882 -5.999 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.985 -5.124 -6.046 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.685 -5.131 -6.473 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -4.266 -5.699 -8.707 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.625 -5.083 -8.671 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -3.575 -7.500 -7.072 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -2.781 -7.608 -8.631 1.00 1.34 H new ATOM 0 HE ARG A 10 -1.376 -6.121 -6.468 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -1.745 -9.141 -8.263 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -0.082 -9.654 -7.960 1.00 2.74 H new ATOM 0 HH21 ARG A 10 0.762 -6.739 -6.143 1.00 3.67 H new ATOM 0 HH22 ARG A 10 1.340 -8.291 -6.757 1.00 3.67 H new ATOM 161 N PRO A 11 -1.442 -2.525 -6.333 1.00 0.43 N ATOM 162 CA PRO A 11 -0.083 -2.039 -6.536 1.00 0.50 C ATOM 163 C PRO A 11 0.882 -3.153 -6.916 1.00 0.47 C ATOM 164 O PRO A 11 0.546 -4.339 -6.840 1.00 0.54 O ATOM 165 CB PRO A 11 0.313 -1.424 -5.191 1.00 0.62 C ATOM 166 CG PRO A 11 -0.825 -1.665 -4.252 1.00 0.64 C ATOM 167 CD PRO A 11 -1.779 -2.620 -4.912 1.00 0.53 C ATOM 0 HA PRO A 11 -0.040 -1.327 -7.360 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.229 -1.879 -4.813 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.507 -0.357 -5.297 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.462 -2.079 -3.311 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -1.328 -0.728 -4.015 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.651 -3.636 -4.538 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.816 -2.341 -4.727 1.00 0.53 H new ATOM 175 N GLN A 12 2.087 -2.761 -7.307 1.00 0.44 N ATOM 176 CA GLN A 12 3.062 -3.669 -7.873 1.00 0.43 C ATOM 177 C GLN A 12 4.413 -3.506 -7.198 1.00 0.37 C ATOM 178 O GLN A 12 4.616 -2.544 -6.470 1.00 0.40 O ATOM 179 CB GLN A 12 3.171 -3.363 -9.353 1.00 0.55 C ATOM 180 CG GLN A 12 1.862 -3.584 -10.088 1.00 0.73 C ATOM 181 CD GLN A 12 1.526 -5.058 -10.269 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.796 -5.635 -11.322 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.997 -5.699 -9.228 1.00 1.32 N ATOM 0 H GLN A 12 2.413 -1.797 -7.238 1.00 0.44 H new ATOM 0 HA GLN A 12 2.745 -4.700 -7.717 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.488 -2.329 -9.485 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.943 -3.992 -9.795 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.056 -3.098 -9.539 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.915 -3.106 -11.066 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.785 -5.190 -8.370 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.804 -6.699 -9.289 1.00 1.32 H new ATOM 192 N ASP A 13 5.311 -4.466 -7.424 1.00 0.34 N ATOM 193 CA ASP A 13 6.620 -4.493 -6.869 1.00 0.33 C ATOM 194 C ASP A 13 7.480 -3.347 -7.382 1.00 0.36 C ATOM 195 O ASP A 13 7.030 -2.222 -7.585 1.00 0.50 O ATOM 196 CB ASP A 13 7.227 -5.827 -7.300 1.00 0.35 C ATOM 197 CG ASP A 13 6.215 -6.960 -7.292 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.466 -7.100 -8.272 1.00 1.03 O ATOM 199 OD2 ASP A 13 6.171 -7.722 -6.300 1.00 2.06 O ATOM 0 H ASP A 13 5.116 -5.267 -8.025 1.00 0.34 H new ATOM 0 HA ASP A 13 6.575 -4.384 -5.785 1.00 0.33 H new ATOM 0 HB2 ASP A 13 7.645 -5.725 -8.302 1.00 0.35 H new ATOM 0 HB3 ASP A 13 8.053 -6.078 -6.634 1.00 0.35 H new ATOM 204 N GLY A 14 8.718 -3.673 -7.612 1.00 0.30 N ATOM 205 CA GLY A 14 9.689 -2.695 -8.001 1.00 0.30 C ATOM 206 C GLY A 14 11.070 -3.049 -7.515 1.00 0.25 C ATOM 207 O GLY A 14 11.251 -3.541 -6.409 1.00 0.28 O ATOM 0 H GLY A 14 9.082 -4.623 -7.535 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.699 -2.605 -9.087 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.403 -1.721 -7.603 1.00 0.30 H new ATOM 211 N GLU A 15 12.027 -2.812 -8.367 1.00 0.26 N ATOM 212 CA GLU A 15 13.441 -3.010 -8.053 1.00 0.25 C ATOM 213 C GLU A 15 14.160 -1.674 -8.116 1.00 0.23 C ATOM 214 O GLU A 15 14.194 -1.037 -9.170 1.00 0.30 O ATOM 215 CB GLU A 15 14.099 -3.982 -9.035 1.00 0.33 C ATOM 216 CG GLU A 15 13.512 -5.379 -9.029 1.00 0.69 C ATOM 217 CD GLU A 15 14.354 -6.347 -9.830 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.395 -6.803 -9.317 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.964 -6.673 -10.973 1.00 1.53 O ATOM 0 H GLU A 15 11.860 -2.472 -9.314 1.00 0.26 H new ATOM 0 HA GLU A 15 13.512 -3.434 -7.051 1.00 0.25 H new ATOM 0 HB2 GLU A 15 14.017 -3.572 -10.042 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.162 -4.048 -8.803 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.429 -5.734 -8.002 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.502 -5.351 -9.439 1.00 0.69 H new ATOM 226 N VAL A 16 14.721 -1.238 -6.995 1.00 0.20 N ATOM 227 CA VAL A 16 15.294 0.041 -6.888 1.00 0.21 C ATOM 228 C VAL A 16 16.573 -0.090 -6.093 1.00 0.22 C ATOM 229 O VAL A 16 16.819 -1.101 -5.451 1.00 0.27 O ATOM 230 CB VAL A 16 14.345 1.033 -6.193 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.915 0.888 -6.699 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.418 0.908 -4.674 1.00 0.23 C ATOM 0 H VAL A 16 14.777 -1.791 -6.140 1.00 0.20 H new ATOM 0 HA VAL A 16 15.492 0.431 -7.887 1.00 0.21 H new ATOM 0 HB VAL A 16 14.680 2.038 -6.452 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.273 1.604 -6.186 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.887 1.079 -7.772 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.560 -0.124 -6.502 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.735 1.624 -4.217 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.136 -0.103 -4.378 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.435 1.114 -4.340 1.00 0.23 H new ATOM 242 N THR A 17 17.366 0.916 -6.163 1.00 0.23 N ATOM 243 CA THR A 17 18.629 0.960 -5.444 1.00 0.27 C ATOM 244 C THR A 17 18.420 1.591 -4.076 1.00 0.28 C ATOM 245 O THR A 17 17.456 2.337 -3.869 1.00 0.28 O ATOM 246 CB THR A 17 19.681 1.790 -6.200 1.00 0.35 C ATOM 247 OG1 THR A 17 19.453 1.722 -7.615 1.00 0.77 O ATOM 248 CG2 THR A 17 21.088 1.297 -5.904 1.00 0.56 C ATOM 0 H THR A 17 17.174 1.749 -6.720 1.00 0.23 H new ATOM 0 HA THR A 17 18.987 -0.065 -5.348 1.00 0.27 H new ATOM 0 HB THR A 17 19.587 2.821 -5.860 1.00 0.35 H new ATOM 0 HG1 THR A 17 20.129 2.256 -8.081 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.809 1.903 -6.453 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.285 1.378 -4.835 1.00 0.56 H new ATOM 0 HG23 THR A 17 21.181 0.256 -6.212 1.00 0.56 H new ATOM 256 N VAL A 18 19.319 1.295 -3.152 1.00 0.31 N ATOM 257 CA VAL A 18 19.309 1.948 -1.870 1.00 0.35 C ATOM 258 C VAL A 18 19.691 3.378 -2.074 1.00 0.36 C ATOM 259 O VAL A 18 20.835 3.725 -2.361 1.00 0.39 O ATOM 260 CB VAL A 18 20.284 1.378 -0.839 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.014 1.979 0.533 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.241 -0.135 -0.770 1.00 0.78 C ATOM 0 H VAL A 18 20.061 0.606 -3.273 1.00 0.31 H new ATOM 0 HA VAL A 18 18.303 1.802 -1.475 1.00 0.35 H new ATOM 0 HB VAL A 18 21.288 1.653 -1.164 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.716 1.564 1.257 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.138 3.061 0.487 1.00 0.76 H new ATOM 0 HG13 VAL A 18 18.995 1.743 0.839 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.953 -0.486 -0.022 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.237 -0.458 -0.495 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.502 -0.551 -1.743 1.00 0.78 H new ATOM 272 N GLY A 19 18.700 4.163 -1.953 1.00 0.38 N ATOM 273 CA GLY A 19 18.857 5.595 -2.006 1.00 0.45 C ATOM 274 C GLY A 19 18.054 6.250 -3.105 1.00 0.40 C ATOM 275 O GLY A 19 18.161 7.461 -3.301 1.00 0.48 O ATOM 0 H GLY A 19 17.740 3.850 -1.812 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.560 6.021 -1.047 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.912 5.832 -2.147 1.00 0.45 H new ATOM 279 N GLY A 20 17.245 5.489 -3.843 1.00 0.32 N ATOM 280 CA GLY A 20 16.433 6.100 -4.838 1.00 0.32 C ATOM 281 C GLY A 20 15.069 6.376 -4.324 1.00 0.30 C ATOM 282 O GLY A 20 14.866 7.065 -3.332 1.00 0.44 O ATOM 0 H GLY A 20 17.151 4.477 -3.758 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.895 7.031 -5.167 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.371 5.449 -5.710 1.00 0.32 H new ATOM 286 N SER A 21 14.153 5.840 -5.036 1.00 0.24 N ATOM 287 CA SER A 21 12.781 5.933 -4.734 1.00 0.22 C ATOM 288 C SER A 21 12.036 4.726 -5.239 1.00 0.22 C ATOM 289 O SER A 21 12.547 3.921 -6.015 1.00 0.25 O ATOM 290 CB SER A 21 12.217 7.174 -5.356 1.00 0.30 C ATOM 291 OG SER A 21 12.573 7.281 -6.722 1.00 0.82 O ATOM 0 H SER A 21 14.349 5.302 -5.880 1.00 0.24 H new ATOM 0 HA SER A 21 12.665 5.977 -3.651 1.00 0.22 H new ATOM 0 HB2 SER A 21 11.131 7.167 -5.262 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.578 8.049 -4.816 1.00 0.30 H new ATOM 0 HG SER A 21 12.188 8.100 -7.097 1.00 0.82 H new ATOM 297 N ILE A 22 10.838 4.634 -4.760 1.00 0.22 N ATOM 298 CA ILE A 22 9.867 3.704 -5.191 1.00 0.24 C ATOM 299 C ILE A 22 8.514 4.340 -5.010 1.00 0.25 C ATOM 300 O ILE A 22 8.298 5.210 -4.170 1.00 0.27 O ATOM 301 CB ILE A 22 9.948 2.366 -4.455 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.977 1.360 -5.049 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.706 2.516 -2.962 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.281 0.973 -6.481 1.00 0.32 C ATOM 0 H ILE A 22 10.500 5.244 -4.016 1.00 0.22 H new ATOM 0 HA ILE A 22 10.049 3.466 -6.239 1.00 0.24 H new ATOM 0 HB ILE A 22 10.964 1.994 -4.586 1.00 0.25 H new ATOM 0 HG12 ILE A 22 8.981 0.461 -4.433 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.970 1.774 -5.002 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.774 1.539 -2.483 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.457 3.182 -2.537 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.714 2.934 -2.795 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.541 0.252 -6.828 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.247 1.861 -7.113 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.274 0.527 -6.534 1.00 0.32 H new ATOM 316 N THR A 23 7.646 3.933 -5.835 1.00 0.25 N ATOM 317 CA THR A 23 6.311 4.485 -5.866 1.00 0.23 C ATOM 318 C THR A 23 5.283 3.396 -6.052 1.00 0.24 C ATOM 319 O THR A 23 5.389 2.552 -6.942 1.00 0.28 O ATOM 320 CB THR A 23 6.126 5.535 -6.966 1.00 0.26 C ATOM 321 OG1 THR A 23 7.153 6.534 -6.873 1.00 0.31 O ATOM 322 CG2 THR A 23 4.755 6.196 -6.843 1.00 0.24 C ATOM 0 H THR A 23 7.816 3.202 -6.526 1.00 0.25 H new ATOM 0 HA THR A 23 6.168 4.976 -4.903 1.00 0.23 H new ATOM 0 HB THR A 23 6.195 5.038 -7.934 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.027 7.200 -7.581 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.638 6.940 -7.631 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.976 5.439 -6.939 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.671 6.681 -5.871 1.00 0.24 H new ATOM 330 N PHE A 24 4.306 3.429 -5.191 1.00 0.24 N ATOM 331 CA PHE A 24 3.198 2.522 -5.250 1.00 0.27 C ATOM 332 C PHE A 24 1.893 3.298 -5.216 1.00 0.24 C ATOM 333 O PHE A 24 1.832 4.428 -4.736 1.00 0.30 O ATOM 334 CB PHE A 24 3.236 1.567 -4.069 1.00 0.40 C ATOM 335 CG PHE A 24 4.525 0.816 -3.899 1.00 0.33 C ATOM 336 CD1 PHE A 24 5.010 -0.003 -4.904 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.247 0.918 -2.719 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.189 -0.706 -4.734 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.426 0.219 -2.547 1.00 0.51 C ATOM 340 CZ PHE A 24 6.896 -0.597 -3.554 1.00 0.49 C ATOM 0 H PHE A 24 4.257 4.095 -4.420 1.00 0.24 H new ATOM 0 HA PHE A 24 3.265 1.954 -6.178 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.040 2.132 -3.158 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.425 0.847 -4.178 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.462 -0.094 -5.830 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.883 1.552 -1.924 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.557 -1.341 -5.526 1.00 0.53 H new ATOM 0 HE2 PHE A 24 6.979 0.312 -1.624 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.814 -1.149 -3.420 1.00 0.49 H new ATOM 350 N SER A 25 0.869 2.690 -5.749 1.00 0.28 N ATOM 351 CA SER A 25 -0.474 3.205 -5.688 1.00 0.28 C ATOM 352 C SER A 25 -1.444 2.054 -5.468 1.00 0.27 C ATOM 353 O SER A 25 -1.374 1.020 -6.134 1.00 0.31 O ATOM 354 CB SER A 25 -0.834 3.934 -6.968 1.00 0.35 C ATOM 355 OG SER A 25 0.285 4.627 -7.502 1.00 0.58 O ATOM 0 H SER A 25 0.945 1.804 -6.249 1.00 0.28 H new ATOM 0 HA SER A 25 -0.538 3.912 -4.861 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.206 3.220 -7.703 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.641 4.640 -6.772 1.00 0.35 H new ATOM 0 HG SER A 25 0.022 5.086 -8.327 1.00 0.58 H new ATOM 361 N ALA A 26 -2.317 2.245 -4.524 1.00 0.26 N ATOM 362 CA ALA A 26 -3.336 1.262 -4.168 1.00 0.26 C ATOM 363 C ALA A 26 -4.722 1.903 -4.126 1.00 0.22 C ATOM 364 O ALA A 26 -4.990 2.768 -3.299 1.00 0.25 O ATOM 365 CB ALA A 26 -3.010 0.614 -2.831 1.00 0.32 C ATOM 0 H ALA A 26 -2.354 3.096 -3.962 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.342 0.489 -4.936 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.781 -0.116 -2.583 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.044 0.114 -2.895 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -2.971 1.379 -2.056 1.00 0.32 H new ATOM 371 N ARG A 27 -5.598 1.475 -5.019 1.00 0.22 N ATOM 372 CA ARG A 27 -6.938 2.036 -5.111 1.00 0.25 C ATOM 373 C ARG A 27 -7.952 1.129 -4.433 1.00 0.23 C ATOM 374 O ARG A 27 -8.040 -0.054 -4.761 1.00 0.31 O ATOM 375 CB ARG A 27 -7.330 2.226 -6.574 1.00 0.36 C ATOM 376 CG ARG A 27 -6.296 2.973 -7.392 1.00 0.28 C ATOM 377 CD ARG A 27 -6.781 3.196 -8.811 1.00 0.46 C ATOM 378 NE ARG A 27 -7.816 4.229 -8.873 1.00 1.22 N ATOM 379 CZ ARG A 27 -7.975 5.064 -9.901 1.00 1.55 C ATOM 380 NH1 ARG A 27 -7.169 4.996 -10.954 1.00 1.46 N ATOM 381 NH2 ARG A 27 -8.924 5.989 -9.865 1.00 2.43 N ATOM 0 H ARG A 27 -5.405 0.736 -5.695 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.934 3.002 -4.605 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.499 1.248 -7.025 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.276 2.766 -6.620 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.081 3.933 -6.923 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.363 2.409 -7.407 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -5.940 3.485 -9.442 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.174 2.262 -9.212 1.00 0.46 H new ATOM 0 HE ARG A 27 -8.454 4.316 -8.082 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.422 4.302 -10.981 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -7.297 5.638 -11.736 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -9.534 6.063 -9.051 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -9.045 6.627 -10.652 1.00 2.43 H new ATOM 395 N VAL A 28 -8.730 1.681 -3.507 1.00 0.19 N ATOM 396 CA VAL A 28 -9.694 0.903 -2.774 1.00 0.20 C ATOM 397 C VAL A 28 -11.058 1.544 -2.841 1.00 0.23 C ATOM 398 O VAL A 28 -11.232 2.736 -2.593 1.00 0.24 O ATOM 399 CB VAL A 28 -9.318 0.720 -1.300 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.227 -0.330 -0.661 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.852 0.342 -1.180 1.00 0.23 C ATOM 0 H VAL A 28 -8.703 2.669 -3.254 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.707 -0.079 -3.248 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.462 1.659 -0.765 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -9.956 -0.457 0.387 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.265 -0.004 -0.730 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.110 -1.279 -1.183 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.594 0.214 -0.129 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.672 -0.591 -1.714 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.236 1.131 -1.611 1.00 0.23 H new ATOM 411 N ALA A 29 -11.994 0.723 -3.199 1.00 0.29 N ATOM 412 CA ALA A 29 -13.385 1.090 -3.294 1.00 0.32 C ATOM 413 C ALA A 29 -13.954 1.429 -1.932 1.00 0.34 C ATOM 414 O ALA A 29 -14.129 0.551 -1.089 1.00 0.40 O ATOM 415 CB ALA A 29 -14.176 -0.042 -3.919 1.00 0.38 C ATOM 0 H ALA A 29 -11.814 -0.251 -3.442 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.462 1.976 -3.924 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.226 0.242 -3.988 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.790 -0.248 -4.917 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.082 -0.936 -3.302 1.00 0.38 H new ATOM 421 N GLY A 30 -14.203 2.712 -1.727 1.00 0.35 N ATOM 422 CA GLY A 30 -14.898 3.167 -0.531 1.00 0.42 C ATOM 423 C GLY A 30 -16.154 2.348 -0.283 1.00 0.50 C ATOM 424 O GLY A 30 -16.383 1.847 0.812 1.00 0.76 O ATOM 0 H GLY A 30 -13.935 3.457 -2.371 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.234 3.090 0.330 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.161 4.219 -0.638 1.00 0.42 H new ATOM 428 N ALA A 31 -16.962 2.237 -1.329 1.00 0.49 N ATOM 429 CA ALA A 31 -18.076 1.295 -1.393 1.00 0.55 C ATOM 430 C ALA A 31 -19.138 1.528 -0.329 1.00 0.64 C ATOM 431 O ALA A 31 -19.979 2.415 -0.455 1.00 0.71 O ATOM 432 CB ALA A 31 -17.568 -0.143 -1.323 1.00 0.58 C ATOM 0 H ALA A 31 -16.862 2.806 -2.170 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.560 1.470 -2.354 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.413 -0.830 -1.372 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -16.897 -0.333 -2.160 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.031 -0.294 -0.386 1.00 0.58 H new ATOM 438 N SER A 32 -19.081 0.725 0.718 1.00 0.85 N ATOM 439 CA SER A 32 -20.080 0.749 1.760 1.00 0.96 C ATOM 440 C SER A 32 -19.443 0.432 3.107 1.00 1.01 C ATOM 441 O SER A 32 -18.668 1.238 3.611 1.00 1.69 O ATOM 442 CB SER A 32 -21.207 -0.229 1.432 1.00 1.19 C ATOM 443 OG SER A 32 -20.690 -1.448 0.917 1.00 1.74 O ATOM 0 H SER A 32 -18.340 0.040 0.866 1.00 0.85 H new ATOM 0 HA SER A 32 -20.510 1.749 1.820 1.00 0.96 H new ATOM 0 HB2 SER A 32 -21.793 -0.429 2.329 1.00 1.19 H new ATOM 0 HB3 SER A 32 -21.882 0.220 0.704 1.00 1.19 H new ATOM 0 HG SER A 32 -21.430 -2.058 0.716 1.00 1.74 H new ATOM 449 N LEU A 33 -19.740 -0.754 3.666 1.00 0.96 N ATOM 450 CA LEU A 33 -19.254 -1.128 5.000 1.00 0.93 C ATOM 451 C LEU A 33 -19.849 -0.177 6.050 1.00 0.90 C ATOM 452 O LEU A 33 -20.294 0.923 5.729 1.00 0.98 O ATOM 453 CB LEU A 33 -17.692 -1.173 4.977 1.00 0.99 C ATOM 454 CG LEU A 33 -16.891 -1.077 6.294 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.388 -2.037 7.363 1.00 2.16 C ATOM 456 CD2 LEU A 33 -15.406 -1.317 6.082 1.00 1.95 C ATOM 0 H LEU A 33 -20.313 -1.466 3.214 1.00 0.96 H new ATOM 0 HA LEU A 33 -19.586 -2.127 5.284 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -17.403 -2.105 4.491 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -17.355 -0.360 4.334 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.049 -0.056 6.641 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.785 -1.922 8.264 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -18.430 -1.817 7.593 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -17.305 -3.061 6.999 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -14.885 -1.239 7.036 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -15.254 -2.313 5.666 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -15.012 -0.571 5.392 1.00 1.95 H new ATOM 468 N LEU A 34 -19.921 -0.635 7.293 1.00 0.87 N ATOM 469 CA LEU A 34 -20.453 0.173 8.382 1.00 0.89 C ATOM 470 C LEU A 34 -19.734 1.524 8.450 1.00 0.84 C ATOM 471 O LEU A 34 -20.278 2.533 8.897 1.00 0.95 O ATOM 472 CB LEU A 34 -20.299 -0.561 9.706 1.00 1.01 C ATOM 473 CG LEU A 34 -21.040 0.094 10.859 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.541 -0.093 10.704 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.551 -0.447 12.195 1.00 1.47 C ATOM 0 H LEU A 34 -19.616 -1.567 7.573 1.00 0.87 H new ATOM 0 HA LEU A 34 -21.512 0.349 8.193 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -20.659 -1.583 9.588 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.240 -0.623 9.955 1.00 1.01 H new ATOM 0 HG LEU A 34 -20.831 1.164 10.839 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.055 0.383 11.539 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -22.870 0.361 9.769 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -22.776 -1.157 10.692 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.096 0.037 13.005 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.720 -1.523 12.236 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.486 -0.243 12.302 1.00 1.47 H new ATOM 487 N LYS A 35 -18.506 1.490 7.980 1.00 0.76 N ATOM 488 CA LYS A 35 -17.616 2.631 7.889 1.00 0.76 C ATOM 489 C LYS A 35 -16.860 2.497 6.569 1.00 0.65 C ATOM 490 O LYS A 35 -17.083 1.546 5.854 1.00 0.75 O ATOM 491 CB LYS A 35 -16.688 2.656 9.118 1.00 0.90 C ATOM 492 CG LYS A 35 -16.408 1.283 9.721 1.00 0.92 C ATOM 493 CD LYS A 35 -15.299 0.550 8.989 1.00 0.90 C ATOM 494 CE LYS A 35 -13.953 1.213 9.216 1.00 1.00 C ATOM 495 NZ LYS A 35 -13.470 1.047 10.612 1.00 1.40 N ATOM 0 H LYS A 35 -18.080 0.629 7.635 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.151 3.581 7.893 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -15.741 3.115 8.834 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -17.134 3.292 9.883 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.134 1.398 10.770 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.318 0.683 9.693 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.259 -0.485 9.329 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.519 0.526 7.922 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -13.221 0.789 8.528 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.030 2.275 8.985 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -12.472 1.332 10.670 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -14.038 1.642 11.249 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -13.562 0.051 10.895 1.00 1.40 H new ATOM 509 N PRO A 36 -16.007 3.438 6.187 1.00 0.65 N ATOM 510 CA PRO A 36 -15.183 3.281 4.992 1.00 0.56 C ATOM 511 C PRO A 36 -14.206 2.130 5.195 1.00 0.45 C ATOM 512 O PRO A 36 -13.867 1.820 6.337 1.00 0.47 O ATOM 513 CB PRO A 36 -14.427 4.615 4.879 1.00 0.61 C ATOM 514 CG PRO A 36 -15.094 5.537 5.844 1.00 0.88 C ATOM 515 CD PRO A 36 -15.719 4.662 6.894 1.00 0.88 C ATOM 0 HA PRO A 36 -15.763 3.057 4.097 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.372 4.489 5.122 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.476 5.008 3.864 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -14.374 6.224 6.288 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -15.848 6.145 5.344 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -15.041 4.492 7.730 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -16.624 5.111 7.304 1.00 0.88 H new ATOM 523 N PRO A 37 -13.734 1.475 4.123 1.00 0.40 N ATOM 524 CA PRO A 37 -12.857 0.298 4.262 1.00 0.35 C ATOM 525 C PRO A 37 -11.624 0.563 5.096 1.00 0.32 C ATOM 526 O PRO A 37 -11.054 1.657 5.087 1.00 0.36 O ATOM 527 CB PRO A 37 -12.442 -0.008 2.843 1.00 0.40 C ATOM 528 CG PRO A 37 -13.554 0.541 2.025 1.00 0.53 C ATOM 529 CD PRO A 37 -13.969 1.806 2.696 1.00 0.47 C ATOM 0 HA PRO A 37 -13.379 -0.513 4.770 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.491 0.463 2.594 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.319 -1.079 2.684 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -13.230 0.730 1.002 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -14.384 -0.163 1.971 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.373 2.658 2.369 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.012 2.052 2.498 1.00 0.47 H new ATOM 537 N VAL A 38 -11.210 -0.463 5.798 1.00 0.29 N ATOM 538 CA VAL A 38 -10.011 -0.404 6.571 1.00 0.27 C ATOM 539 C VAL A 38 -8.956 -1.081 5.767 1.00 0.22 C ATOM 540 O VAL A 38 -8.909 -2.301 5.654 1.00 0.20 O ATOM 541 CB VAL A 38 -10.086 -1.135 7.909 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.076 -0.565 8.891 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.486 -1.122 8.492 1.00 0.77 C ATOM 0 H VAL A 38 -11.699 -1.357 5.844 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.817 0.646 6.791 1.00 0.27 H new ATOM 0 HB VAL A 38 -9.833 -2.179 7.723 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.147 -1.101 9.838 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.071 -0.677 8.485 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.285 0.492 9.056 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.489 -1.654 9.443 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.804 -0.092 8.651 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.173 -1.611 7.801 1.00 0.77 H new ATOM 553 N VAL A 39 -8.143 -0.285 5.208 1.00 0.22 N ATOM 554 CA VAL A 39 -7.028 -0.749 4.460 1.00 0.21 C ATOM 555 C VAL A 39 -5.796 -0.496 5.275 1.00 0.20 C ATOM 556 O VAL A 39 -5.434 0.642 5.563 1.00 0.23 O ATOM 557 CB VAL A 39 -6.844 -0.020 3.129 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.961 -0.838 2.191 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.180 0.331 2.491 1.00 0.24 C ATOM 0 H VAL A 39 -8.225 0.731 5.251 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.199 -1.804 4.243 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.337 0.925 3.326 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.840 -0.305 1.248 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.984 -0.989 2.650 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.427 -1.805 2.004 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -8.008 0.848 1.547 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.746 -0.582 2.307 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.744 0.979 3.162 1.00 0.24 H new ATOM 569 N LYS A 40 -5.179 -1.554 5.646 1.00 0.19 N ATOM 570 CA LYS A 40 -3.954 -1.505 6.350 1.00 0.20 C ATOM 571 C LYS A 40 -2.849 -1.963 5.463 1.00 0.19 C ATOM 572 O LYS A 40 -2.941 -2.954 4.738 1.00 0.21 O ATOM 573 CB LYS A 40 -4.002 -2.338 7.619 1.00 0.26 C ATOM 574 CG LYS A 40 -4.487 -3.762 7.408 1.00 0.31 C ATOM 575 CD LYS A 40 -3.350 -4.717 7.035 1.00 0.37 C ATOM 576 CE LYS A 40 -2.413 -4.971 8.205 1.00 0.86 C ATOM 577 NZ LYS A 40 -1.280 -5.855 7.822 1.00 1.54 N ATOM 0 H LYS A 40 -5.518 -2.499 5.465 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.773 -0.473 6.649 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.006 -2.367 8.060 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.655 -1.846 8.339 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.972 -4.116 8.318 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.240 -3.773 6.620 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.769 -5.664 6.694 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.785 -4.300 6.202 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -2.025 -4.021 8.573 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.969 -5.427 9.024 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -0.720 -6.088 8.667 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -1.650 -6.730 7.400 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -0.676 -5.366 7.131 1.00 1.54 H new ATOM 591 N TRP A 41 -1.853 -1.169 5.478 1.00 0.18 N ATOM 592 CA TRP A 41 -0.635 -1.464 4.792 1.00 0.19 C ATOM 593 C TRP A 41 0.366 -2.165 5.677 1.00 0.21 C ATOM 594 O TRP A 41 0.342 -2.062 6.900 1.00 0.28 O ATOM 595 CB TRP A 41 -0.037 -0.189 4.263 1.00 0.21 C ATOM 596 CG TRP A 41 -0.783 0.348 3.111 1.00 0.21 C ATOM 597 CD1 TRP A 41 -1.922 1.093 3.149 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.459 0.149 1.744 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.286 1.432 1.866 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.417 0.839 0.995 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.559 -0.536 1.079 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.393 0.859 -0.379 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.579 -0.513 -0.295 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.395 0.184 -1.011 1.00 0.33 C ATOM 0 H TRP A 41 -1.848 -0.277 5.972 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.874 -2.140 3.971 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.017 0.556 5.058 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.997 -0.371 3.970 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.456 1.374 4.045 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.073 2.027 1.608 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.315 -1.073 1.632 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.144 1.395 -0.940 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.357 -1.040 -0.827 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.356 0.188 -2.090 1.00 0.33 H new ATOM 615 N PHE A 42 1.249 -2.858 5.016 1.00 0.21 N ATOM 616 CA PHE A 42 2.375 -3.503 5.638 1.00 0.23 C ATOM 617 C PHE A 42 3.569 -3.069 4.842 1.00 0.26 C ATOM 618 O PHE A 42 3.514 -3.076 3.624 1.00 0.34 O ATOM 619 CB PHE A 42 2.243 -5.025 5.575 1.00 0.26 C ATOM 620 CG PHE A 42 3.254 -5.782 6.399 1.00 0.30 C ATOM 621 CD1 PHE A 42 4.521 -6.041 5.904 1.00 0.37 C ATOM 622 CD2 PHE A 42 2.927 -6.247 7.662 1.00 0.49 C ATOM 623 CE1 PHE A 42 5.443 -6.749 6.653 1.00 0.50 C ATOM 624 CE2 PHE A 42 3.846 -6.955 8.418 1.00 0.62 C ATOM 625 CZ PHE A 42 5.104 -7.204 7.911 1.00 0.60 C ATOM 0 H PHE A 42 1.207 -2.995 4.006 1.00 0.21 H new ATOM 0 HA PHE A 42 2.451 -3.233 6.691 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.243 -5.303 5.907 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.333 -5.341 4.536 1.00 0.26 H new ATOM 0 HD1 PHE A 42 4.792 -5.686 4.921 1.00 0.37 H new ATOM 0 HD2 PHE A 42 1.943 -6.055 8.062 1.00 0.49 H new ATOM 0 HE1 PHE A 42 6.427 -6.946 6.254 1.00 0.50 H new ATOM 0 HE2 PHE A 42 3.578 -7.311 9.402 1.00 0.62 H new ATOM 0 HZ PHE A 42 5.824 -7.755 8.498 1.00 0.60 H new ATOM 635 N LYS A 43 4.623 -2.658 5.491 1.00 0.28 N ATOM 636 CA LYS A 43 5.770 -2.184 4.767 1.00 0.31 C ATOM 637 C LYS A 43 6.854 -3.201 4.934 1.00 0.39 C ATOM 638 O LYS A 43 7.418 -3.325 6.028 1.00 0.81 O ATOM 639 CB LYS A 43 6.258 -0.854 5.300 1.00 0.40 C ATOM 640 CG LYS A 43 7.672 -0.516 4.861 1.00 0.54 C ATOM 641 CD LYS A 43 8.047 0.908 5.208 1.00 0.67 C ATOM 642 CE LYS A 43 8.333 1.094 6.691 1.00 1.29 C ATOM 643 NZ LYS A 43 7.145 0.816 7.534 1.00 2.17 N ATOM 0 H LYS A 43 4.712 -2.641 6.507 1.00 0.28 H new ATOM 0 HA LYS A 43 5.501 -2.042 3.720 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.583 -0.066 4.966 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.216 -0.869 6.389 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.373 -1.202 5.337 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.763 -0.663 3.785 1.00 0.54 H new ATOM 0 HD2 LYS A 43 8.926 1.198 4.633 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.238 1.575 4.912 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.148 0.433 6.987 1.00 1.29 H new ATOM 0 HE3 LYS A 43 8.670 2.115 6.868 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 7.418 0.840 8.537 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 6.417 1.537 7.356 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 6.766 -0.124 7.301 1.00 2.17 H new ATOM 657 N GLY A 44 7.156 -3.944 3.911 1.00 0.64 N ATOM 658 CA GLY A 44 7.958 -5.096 4.188 1.00 0.92 C ATOM 659 C GLY A 44 9.419 -4.829 4.261 1.00 0.39 C ATOM 660 O GLY A 44 10.123 -4.867 3.272 1.00 1.23 O ATOM 0 H GLY A 44 6.882 -3.791 2.941 1.00 0.64 H new ATOM 0 HA2 GLY A 44 7.633 -5.530 5.134 1.00 0.92 H new ATOM 0 HA3 GLY A 44 7.776 -5.843 3.416 1.00 0.92 H new ATOM 664 N LYS A 45 9.860 -4.558 5.458 1.00 0.85 N ATOM 665 CA LYS A 45 11.051 -5.126 6.000 1.00 1.06 C ATOM 666 C LYS A 45 10.571 -6.107 7.071 1.00 0.74 C ATOM 667 O LYS A 45 11.229 -7.093 7.406 1.00 0.82 O ATOM 668 CB LYS A 45 11.970 -4.041 6.562 1.00 1.67 C ATOM 669 CG LYS A 45 13.427 -4.453 6.622 1.00 2.44 C ATOM 670 CD LYS A 45 14.307 -3.343 7.162 1.00 2.82 C ATOM 671 CE LYS A 45 15.732 -3.828 7.378 1.00 2.98 C ATOM 672 NZ LYS A 45 16.623 -2.748 7.870 1.00 3.87 N ATOM 0 H LYS A 45 9.385 -3.919 6.095 1.00 0.85 H new ATOM 0 HA LYS A 45 11.651 -5.637 5.247 1.00 1.06 H new ATOM 0 HB2 LYS A 45 11.879 -3.145 5.948 1.00 1.67 H new ATOM 0 HB3 LYS A 45 11.634 -3.775 7.564 1.00 1.67 H new ATOM 0 HG2 LYS A 45 13.529 -5.336 7.253 1.00 2.44 H new ATOM 0 HG3 LYS A 45 13.766 -4.733 5.625 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.307 -2.504 6.466 1.00 2.82 H new ATOM 0 HD3 LYS A 45 13.898 -2.976 8.103 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.730 -4.649 8.094 1.00 2.98 H new ATOM 0 HE3 LYS A 45 16.126 -4.223 6.441 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 17.453 -2.672 7.247 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 16.107 -1.845 7.871 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 16.935 -2.969 8.837 1.00 3.87 H new ATOM 686 N TRP A 46 9.347 -5.787 7.563 1.00 0.58 N ATOM 687 CA TRP A 46 8.761 -6.321 8.797 1.00 0.57 C ATOM 688 C TRP A 46 7.627 -5.424 9.325 1.00 0.63 C ATOM 689 O TRP A 46 6.788 -5.848 10.117 1.00 0.74 O ATOM 690 CB TRP A 46 9.799 -6.372 9.888 1.00 0.76 C ATOM 691 CG TRP A 46 10.447 -5.053 10.200 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.378 -4.426 9.449 1.00 1.19 C ATOM 693 CD2 TRP A 46 10.232 -4.218 11.344 1.00 1.27 C ATOM 694 NE1 TRP A 46 11.729 -3.229 9.998 1.00 1.38 N ATOM 695 CE2 TRP A 46 11.053 -3.079 11.186 1.00 1.42 C ATOM 696 CE3 TRP A 46 9.422 -4.314 12.477 1.00 1.66 C ATOM 697 CZ2 TRP A 46 11.080 -2.046 12.121 1.00 1.78 C ATOM 698 CZ3 TRP A 46 9.452 -3.289 13.404 1.00 2.10 C ATOM 699 CH2 TRP A 46 10.276 -2.169 13.222 1.00 2.11 C ATOM 0 H TRP A 46 8.729 -5.128 7.089 1.00 0.58 H new ATOM 0 HA TRP A 46 8.379 -7.312 8.552 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.334 -6.757 10.796 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.574 -7.083 9.601 1.00 0.76 H new ATOM 0 HD1 TRP A 46 11.791 -4.822 8.533 1.00 1.19 H new ATOM 0 HE1 TRP A 46 12.383 -2.558 9.595 1.00 1.38 H new ATOM 0 HE3 TRP A 46 8.784 -5.173 12.626 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 11.712 -1.181 11.982 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 8.830 -3.352 14.284 1.00 2.10 H new ATOM 0 HH2 TRP A 46 10.276 -1.387 13.967 1.00 2.11 H new ATOM 710 N VAL A 47 7.643 -4.186 8.875 1.00 0.63 N ATOM 711 CA VAL A 47 6.933 -3.097 9.454 1.00 0.74 C ATOM 712 C VAL A 47 5.559 -2.900 8.866 1.00 0.59 C ATOM 713 O VAL A 47 5.138 -3.534 7.909 1.00 0.57 O ATOM 714 CB VAL A 47 7.694 -1.761 9.286 1.00 0.90 C ATOM 715 CG1 VAL A 47 8.032 -1.162 10.634 1.00 1.20 C ATOM 716 CG2 VAL A 47 8.958 -1.893 8.442 1.00 1.29 C ATOM 0 H VAL A 47 8.183 -3.913 8.054 1.00 0.63 H new ATOM 0 HA VAL A 47 6.841 -3.364 10.507 1.00 0.74 H new ATOM 0 HB VAL A 47 7.020 -1.094 8.749 1.00 0.90 H new ATOM 0 HG11 VAL A 47 8.567 -0.223 10.491 1.00 1.20 H new ATOM 0 HG12 VAL A 47 7.113 -0.975 11.190 1.00 1.20 H new ATOM 0 HG13 VAL A 47 8.660 -1.856 11.193 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.445 -0.921 8.362 1.00 1.29 H new ATOM 0 HG22 VAL A 47 9.638 -2.602 8.914 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.695 -2.250 7.446 1.00 1.29 H new ATOM 726 N ASP A 48 4.907 -1.986 9.500 1.00 0.60 N ATOM 727 CA ASP A 48 3.628 -1.458 9.127 1.00 0.56 C ATOM 728 C ASP A 48 3.889 -0.048 8.651 1.00 0.58 C ATOM 729 O ASP A 48 4.900 0.538 9.021 1.00 0.96 O ATOM 730 CB ASP A 48 2.712 -1.422 10.347 1.00 0.73 C ATOM 731 CG ASP A 48 1.282 -1.040 10.014 1.00 1.88 C ATOM 732 OD1 ASP A 48 1.010 0.157 9.820 1.00 2.22 O ATOM 733 OD2 ASP A 48 0.427 -1.944 9.940 1.00 2.73 O ATOM 0 H ASP A 48 5.273 -1.556 10.349 1.00 0.60 H new ATOM 0 HA ASP A 48 3.148 -2.065 8.359 1.00 0.56 H new ATOM 0 HB2 ASP A 48 2.717 -2.402 10.825 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.111 -0.712 11.071 1.00 0.73 H new ATOM 738 N LEU A 49 3.042 0.480 7.819 1.00 0.39 N ATOM 739 CA LEU A 49 3.200 1.854 7.366 1.00 0.35 C ATOM 740 C LEU A 49 2.496 2.848 8.252 1.00 0.41 C ATOM 741 O LEU A 49 3.062 3.893 8.529 1.00 0.44 O ATOM 742 CB LEU A 49 2.698 2.072 5.938 1.00 0.29 C ATOM 743 CG LEU A 49 3.525 1.495 4.788 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.165 0.075 4.477 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.285 2.291 3.547 1.00 0.28 C ATOM 0 H LEU A 49 2.233 -0.007 7.434 1.00 0.39 H new ATOM 0 HA LEU A 49 4.276 2.023 7.407 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.694 1.653 5.870 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.607 3.146 5.777 1.00 0.29 H new ATOM 0 HG LEU A 49 4.567 1.537 5.105 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.782 -0.285 3.653 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.337 -0.545 5.357 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.114 0.020 4.194 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.876 1.877 2.730 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.227 2.250 3.287 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.577 3.327 3.717 1.00 0.28 H new ATOM 757 N SER A 50 1.315 2.511 8.745 1.00 0.48 N ATOM 758 CA SER A 50 0.426 3.488 9.365 1.00 0.58 C ATOM 759 C SER A 50 1.134 4.117 10.544 1.00 0.62 C ATOM 760 O SER A 50 0.788 5.205 11.006 1.00 0.70 O ATOM 761 CB SER A 50 -0.885 2.824 9.811 1.00 0.73 C ATOM 762 OG SER A 50 -1.834 3.786 10.251 1.00 1.23 O ATOM 0 H SER A 50 0.945 1.561 8.729 1.00 0.48 H new ATOM 0 HA SER A 50 0.174 4.261 8.638 1.00 0.58 H new ATOM 0 HB2 SER A 50 -1.303 2.251 8.984 1.00 0.73 H new ATOM 0 HB3 SER A 50 -0.681 2.118 10.616 1.00 0.73 H new ATOM 0 HG SER A 50 -2.657 3.331 10.526 1.00 1.23 H new ATOM 768 N SER A 51 2.149 3.419 11.008 1.00 0.64 N ATOM 769 CA SER A 51 2.882 3.831 12.151 1.00 0.75 C ATOM 770 C SER A 51 4.011 4.768 11.773 1.00 0.72 C ATOM 771 O SER A 51 4.380 5.678 12.515 1.00 0.85 O ATOM 772 CB SER A 51 3.406 2.595 12.847 1.00 0.90 C ATOM 773 OG SER A 51 3.848 1.634 11.902 1.00 1.34 O ATOM 0 H SER A 51 2.478 2.549 10.590 1.00 0.64 H new ATOM 0 HA SER A 51 2.230 4.386 12.825 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.229 2.866 13.509 1.00 0.90 H new ATOM 0 HB3 SER A 51 2.623 2.164 13.471 1.00 0.90 H new ATOM 0 HG SER A 51 4.185 0.843 12.373 1.00 1.34 H new ATOM 779 N LYS A 52 4.548 4.520 10.604 1.00 0.62 N ATOM 780 CA LYS A 52 5.697 5.247 10.110 1.00 0.66 C ATOM 781 C LYS A 52 5.282 6.432 9.242 1.00 0.67 C ATOM 782 O LYS A 52 5.452 7.577 9.645 1.00 1.09 O ATOM 783 CB LYS A 52 6.619 4.305 9.328 1.00 0.65 C ATOM 784 CG LYS A 52 6.451 2.825 9.624 1.00 0.70 C ATOM 785 CD LYS A 52 6.590 2.468 11.096 1.00 0.78 C ATOM 786 CE LYS A 52 7.959 2.832 11.651 1.00 1.02 C ATOM 787 NZ LYS A 52 7.999 2.767 13.137 1.00 1.40 N ATOM 0 H LYS A 52 4.201 3.806 9.964 1.00 0.62 H new ATOM 0 HA LYS A 52 6.238 5.644 10.969 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.453 4.465 8.263 1.00 0.65 H new ATOM 0 HB3 LYS A 52 7.652 4.583 9.535 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.470 2.504 9.274 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.192 2.265 9.053 1.00 0.70 H new ATOM 0 HD2 LYS A 52 5.819 2.985 11.667 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.420 1.399 11.226 1.00 0.78 H new ATOM 0 HE2 LYS A 52 8.708 2.155 11.239 1.00 1.02 H new ATOM 0 HE3 LYS A 52 8.225 3.838 11.326 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 8.950 3.023 13.470 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 7.304 3.431 13.532 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 7.771 1.801 13.449 1.00 1.40 H new ATOM 801 N VAL A 53 4.763 6.098 8.055 1.00 0.34 N ATOM 802 CA VAL A 53 4.240 7.016 7.043 1.00 0.32 C ATOM 803 C VAL A 53 4.565 8.474 7.322 1.00 0.33 C ATOM 804 O VAL A 53 3.858 9.180 8.045 1.00 0.37 O ATOM 805 CB VAL A 53 2.726 6.775 6.898 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.015 7.833 6.075 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.489 5.433 6.266 1.00 0.35 C ATOM 0 H VAL A 53 4.694 5.124 7.761 1.00 0.34 H new ATOM 0 HA VAL A 53 4.739 6.804 6.097 1.00 0.32 H new ATOM 0 HB VAL A 53 2.312 6.821 7.905 1.00 0.32 H new ATOM 0 HG11 VAL A 53 0.953 7.596 6.017 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.144 8.808 6.546 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.437 7.857 5.070 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.417 5.263 6.164 1.00 0.35 H new ATOM 0 HG22 VAL A 53 2.956 5.407 5.282 1.00 0.35 H new ATOM 0 HG23 VAL A 53 2.922 4.654 6.894 1.00 0.35 H new ATOM 817 N GLY A 54 5.675 8.888 6.756 1.00 0.35 N ATOM 818 CA GLY A 54 6.152 10.236 6.958 1.00 0.41 C ATOM 819 C GLY A 54 6.868 10.807 5.751 1.00 0.44 C ATOM 820 O GLY A 54 6.287 10.913 4.677 1.00 0.70 O ATOM 0 H GLY A 54 6.263 8.312 6.154 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.308 10.879 7.208 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.828 10.250 7.813 1.00 0.41 H new ATOM 824 N GLN A 55 8.144 11.131 5.918 1.00 0.36 N ATOM 825 CA GLN A 55 8.871 11.932 4.933 1.00 0.43 C ATOM 826 C GLN A 55 9.475 11.094 3.808 1.00 0.39 C ATOM 827 O GLN A 55 9.588 11.565 2.678 1.00 0.50 O ATOM 828 CB GLN A 55 9.964 12.746 5.622 1.00 0.61 C ATOM 829 CG GLN A 55 9.428 13.749 6.630 1.00 1.43 C ATOM 830 CD GLN A 55 10.516 14.625 7.220 1.00 2.08 C ATOM 831 OE1 GLN A 55 10.427 15.053 8.371 1.00 2.75 O ATOM 832 NE2 GLN A 55 11.539 14.914 6.435 1.00 2.69 N ATOM 0 H GLN A 55 8.700 10.852 6.726 1.00 0.36 H new ATOM 0 HA GLN A 55 8.143 12.600 4.473 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.649 12.065 6.128 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.542 13.277 4.866 1.00 0.61 H new ATOM 0 HG2 GLN A 55 8.682 14.380 6.147 1.00 1.43 H new ATOM 0 HG3 GLN A 55 8.922 13.215 7.434 1.00 1.43 H new ATOM 0 HE21 GLN A 55 11.576 14.540 5.487 1.00 2.69 H new ATOM 0 HE22 GLN A 55 12.292 15.511 6.777 1.00 2.69 H new ATOM 841 N HIS A 56 9.885 9.868 4.099 1.00 0.36 N ATOM 842 CA HIS A 56 10.447 9.016 3.051 1.00 0.41 C ATOM 843 C HIS A 56 9.360 8.141 2.444 1.00 0.35 C ATOM 844 O HIS A 56 9.341 7.894 1.251 1.00 0.42 O ATOM 845 CB HIS A 56 11.611 8.166 3.578 1.00 0.54 C ATOM 846 CG HIS A 56 11.224 6.900 4.279 1.00 0.58 C ATOM 847 ND1 HIS A 56 11.161 5.679 3.640 1.00 0.87 N ATOM 848 CD2 HIS A 56 10.867 6.669 5.559 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.774 4.758 4.498 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.595 5.329 5.677 1.00 1.33 N ATOM 0 H HIS A 56 9.843 9.445 5.026 1.00 0.36 H new ATOM 0 HA HIS A 56 10.849 9.662 2.270 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.260 7.912 2.740 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.200 8.775 4.264 1.00 0.54 H new ATOM 0 HD2 HIS A 56 10.806 7.405 6.347 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.627 3.711 4.276 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.304 4.853 6.531 1.00 1.33 H new ATOM 859 N LEU A 57 8.461 7.710 3.292 1.00 0.28 N ATOM 860 CA LEU A 57 7.300 6.938 2.904 1.00 0.25 C ATOM 861 C LEU A 57 6.094 7.740 3.298 1.00 0.23 C ATOM 862 O LEU A 57 5.754 7.813 4.465 1.00 0.29 O ATOM 863 CB LEU A 57 7.335 5.575 3.658 1.00 0.38 C ATOM 864 CG LEU A 57 6.116 4.602 3.662 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.729 4.289 5.095 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.912 5.117 2.886 1.00 1.10 C ATOM 0 H LEU A 57 8.514 7.888 4.295 1.00 0.28 H new ATOM 0 HA LEU A 57 7.278 6.734 1.833 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.182 5.017 3.259 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.563 5.798 4.700 1.00 0.38 H new ATOM 0 HG LEU A 57 6.433 3.697 3.144 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.877 3.609 5.102 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.571 3.821 5.605 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.461 5.212 5.609 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.106 4.384 2.936 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.574 6.058 3.321 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.192 5.278 1.845 1.00 1.10 H new ATOM 878 N GLN A 58 5.456 8.325 2.329 1.00 0.20 N ATOM 879 CA GLN A 58 4.166 8.851 2.516 1.00 0.21 C ATOM 880 C GLN A 58 3.224 7.819 1.978 1.00 0.18 C ATOM 881 O GLN A 58 3.225 7.511 0.791 1.00 0.19 O ATOM 882 CB GLN A 58 3.969 10.145 1.733 1.00 0.27 C ATOM 883 CG GLN A 58 5.031 11.209 1.957 1.00 0.46 C ATOM 884 CD GLN A 58 6.282 11.015 1.122 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.359 11.492 -0.008 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.279 10.357 1.681 1.00 0.28 N ATOM 0 H GLN A 58 5.830 8.444 1.388 1.00 0.20 H new ATOM 0 HA GLN A 58 3.999 9.076 3.569 1.00 0.21 H new ATOM 0 HB2 GLN A 58 3.937 9.906 0.670 1.00 0.27 H new ATOM 0 HB3 GLN A 58 2.998 10.564 1.995 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.605 12.187 1.733 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.307 11.216 3.011 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.175 9.976 2.622 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.154 10.229 1.173 1.00 0.28 H new ATOM 895 N LEU A 59 2.451 7.292 2.856 1.00 0.20 N ATOM 896 CA LEU A 59 1.344 6.464 2.487 1.00 0.20 C ATOM 897 C LEU A 59 0.161 7.404 2.553 1.00 0.21 C ATOM 898 O LEU A 59 -0.431 7.629 3.606 1.00 0.23 O ATOM 899 CB LEU A 59 1.221 5.271 3.466 1.00 0.23 C ATOM 900 CG LEU A 59 0.292 4.110 3.110 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.062 3.319 4.377 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.009 4.582 2.488 1.00 0.23 C ATOM 0 H LEU A 59 2.563 7.420 3.862 1.00 0.20 H new ATOM 0 HA LEU A 59 1.437 6.010 1.500 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.220 4.860 3.610 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.897 5.668 4.428 1.00 0.23 H new ATOM 0 HG LEU A 59 0.754 3.481 2.349 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.598 2.478 4.166 1.00 0.26 H new ATOM 0 HD12 LEU A 59 1.015 2.947 4.752 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.397 3.961 5.129 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.634 3.720 2.253 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.534 5.230 3.190 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.795 5.135 1.573 1.00 0.23 H new ATOM 914 N HIS A 60 -0.114 7.992 1.417 1.00 0.22 N ATOM 915 CA HIS A 60 -1.089 9.005 1.276 1.00 0.25 C ATOM 916 C HIS A 60 -2.327 8.400 0.734 1.00 0.24 C ATOM 917 O HIS A 60 -2.343 7.301 0.209 1.00 0.26 O ATOM 918 CB HIS A 60 -0.586 10.129 0.361 1.00 0.37 C ATOM 919 CG HIS A 60 -1.528 11.287 0.176 1.00 0.79 C ATOM 920 ND1 HIS A 60 -1.942 12.104 1.208 1.00 1.48 N ATOM 921 CD2 HIS A 60 -2.136 11.759 -0.940 1.00 1.65 C ATOM 922 CE1 HIS A 60 -2.764 13.023 0.735 1.00 1.91 C ATOM 923 NE2 HIS A 60 -2.896 12.837 -0.563 1.00 2.03 N ATOM 0 H HIS A 60 0.359 7.760 0.544 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.294 9.449 2.250 1.00 0.25 H new ATOM 0 HB2 HIS A 60 0.353 10.508 0.764 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -0.364 9.704 -0.618 1.00 0.37 H new ATOM 0 HD2 HIS A 60 -2.040 11.361 -1.939 1.00 1.65 H new ATOM 0 HE1 HIS A 60 -3.247 13.796 1.314 1.00 1.91 H new ATOM 0 HE2 HIS A 60 -3.471 13.403 -1.187 1.00 2.03 H new ATOM 932 N ASP A 61 -3.335 9.133 0.905 1.00 0.29 N ATOM 933 CA ASP A 61 -4.637 8.754 0.517 1.00 0.32 C ATOM 934 C ASP A 61 -5.300 9.840 -0.250 1.00 0.35 C ATOM 935 O ASP A 61 -5.393 10.996 0.156 1.00 0.48 O ATOM 936 CB ASP A 61 -5.501 8.353 1.683 1.00 0.44 C ATOM 937 CG ASP A 61 -5.240 9.144 2.957 1.00 0.54 C ATOM 938 OD1 ASP A 61 -5.511 10.363 2.974 1.00 0.92 O ATOM 939 OD2 ASP A 61 -4.763 8.551 3.952 1.00 0.73 O ATOM 0 H ASP A 61 -3.288 10.056 1.337 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.521 7.877 -0.120 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.548 8.473 1.403 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.345 7.294 1.888 1.00 0.44 H new ATOM 944 N SER A 62 -5.692 9.425 -1.382 1.00 0.29 N ATOM 945 CA SER A 62 -6.548 10.191 -2.237 1.00 0.32 C ATOM 946 C SER A 62 -7.958 9.757 -1.938 1.00 0.32 C ATOM 947 O SER A 62 -8.197 8.605 -1.576 1.00 0.41 O ATOM 948 CB SER A 62 -6.227 9.981 -3.711 1.00 0.40 C ATOM 949 OG SER A 62 -4.827 9.929 -3.930 1.00 0.47 O ATOM 0 H SER A 62 -5.429 8.518 -1.768 1.00 0.29 H new ATOM 0 HA SER A 62 -6.406 11.255 -2.047 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.686 9.055 -4.057 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.660 10.791 -4.299 1.00 0.40 H new ATOM 0 HG SER A 62 -4.470 9.091 -3.568 1.00 0.47 H new ATOM 955 N TYR A 63 -8.882 10.662 -2.074 1.00 0.38 N ATOM 956 CA TYR A 63 -10.209 10.416 -1.588 1.00 0.45 C ATOM 957 C TYR A 63 -11.243 10.899 -2.557 1.00 0.47 C ATOM 958 O TYR A 63 -11.570 12.083 -2.646 1.00 0.54 O ATOM 959 CB TYR A 63 -10.372 11.029 -0.207 1.00 0.64 C ATOM 960 CG TYR A 63 -11.783 11.090 0.327 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.445 9.931 0.709 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.464 12.296 0.413 1.00 0.87 C ATOM 963 CE1 TYR A 63 -13.745 9.971 1.166 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.768 12.343 0.863 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.351 11.224 1.374 1.00 1.07 C ATOM 966 OH TYR A 63 -15.702 11.215 1.684 1.00 1.39 O ATOM 0 H TYR A 63 -8.744 11.572 -2.514 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.361 9.341 -1.495 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -9.763 10.460 0.496 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -9.969 12.042 -0.231 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -11.933 8.982 0.647 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.967 13.210 0.124 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.288 9.058 1.361 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.325 13.267 0.810 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.015 12.135 1.807 1.00 1.39 H new ATOM 976 N ASP A 64 -11.711 9.950 -3.310 1.00 0.47 N ATOM 977 CA ASP A 64 -12.803 10.142 -4.193 1.00 0.57 C ATOM 978 C ASP A 64 -13.964 9.310 -3.715 1.00 0.57 C ATOM 979 O ASP A 64 -14.009 8.105 -3.918 1.00 0.63 O ATOM 980 CB ASP A 64 -12.438 9.698 -5.574 1.00 0.71 C ATOM 981 CG ASP A 64 -11.249 10.428 -6.175 1.00 1.53 C ATOM 982 OD1 ASP A 64 -10.097 9.981 -5.961 1.00 2.42 O ATOM 983 OD2 ASP A 64 -11.455 11.465 -6.837 1.00 2.00 O ATOM 0 H ASP A 64 -11.331 9.004 -3.322 1.00 0.47 H new ATOM 0 HA ASP A 64 -13.065 11.200 -4.211 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -12.220 8.630 -5.553 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -13.300 9.835 -6.226 1.00 0.71 H new ATOM 988 N ARG A 65 -14.876 9.948 -3.055 1.00 0.60 N ATOM 989 CA ARG A 65 -16.056 9.286 -2.556 1.00 0.64 C ATOM 990 C ARG A 65 -17.068 9.108 -3.666 1.00 0.74 C ATOM 991 O ARG A 65 -17.745 8.085 -3.754 1.00 0.88 O ATOM 992 CB ARG A 65 -16.664 10.087 -1.413 1.00 0.74 C ATOM 993 CG ARG A 65 -16.902 9.233 -0.198 1.00 0.86 C ATOM 994 CD ARG A 65 -17.895 8.129 -0.505 1.00 1.00 C ATOM 995 NE ARG A 65 -19.264 8.470 -0.106 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.268 8.673 -0.959 1.00 1.80 C ATOM 997 NH1 ARG A 65 -20.057 8.597 -2.266 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.484 8.941 -0.499 1.00 2.07 N ATOM 0 H ARG A 65 -14.831 10.945 -2.842 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.772 8.302 -2.183 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.000 10.912 -1.153 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.607 10.527 -1.738 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -15.960 8.799 0.138 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.277 9.850 0.618 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.875 7.916 -1.574 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -17.588 7.217 0.008 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.461 8.558 0.891 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -19.125 8.383 -2.621 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.827 8.753 -2.917 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.649 8.991 0.506 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.253 9.097 -1.151 1.00 2.07 H new ATOM 1012 N ALA A 66 -17.140 10.105 -4.516 1.00 0.80 N ATOM 1013 CA ALA A 66 -18.044 10.096 -5.651 1.00 0.93 C ATOM 1014 C ALA A 66 -17.552 9.130 -6.713 1.00 0.83 C ATOM 1015 O ALA A 66 -18.319 8.662 -7.551 1.00 0.92 O ATOM 1016 CB ALA A 66 -18.194 11.495 -6.223 1.00 1.15 C ATOM 0 H ALA A 66 -16.573 10.950 -4.443 1.00 0.80 H new ATOM 0 HA ALA A 66 -19.024 9.760 -5.311 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -18.875 11.469 -7.073 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -18.594 12.160 -5.458 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -17.220 11.861 -6.549 1.00 1.15 H new ATOM 1022 N SER A 67 -16.263 8.845 -6.669 1.00 0.72 N ATOM 1023 CA SER A 67 -15.666 7.871 -7.561 1.00 0.72 C ATOM 1024 C SER A 67 -15.453 6.563 -6.818 1.00 0.58 C ATOM 1025 O SER A 67 -15.126 5.537 -7.418 1.00 0.63 O ATOM 1026 CB SER A 67 -14.354 8.414 -8.123 1.00 0.83 C ATOM 1027 OG SER A 67 -14.578 9.640 -8.806 1.00 1.41 O ATOM 0 H SER A 67 -15.607 9.278 -6.020 1.00 0.72 H new ATOM 0 HA SER A 67 -16.335 7.681 -8.400 1.00 0.72 H new ATOM 0 HB2 SER A 67 -13.640 8.566 -7.314 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.914 7.686 -8.804 1.00 0.83 H new ATOM 0 HG SER A 67 -13.729 9.977 -9.159 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.647 6.623 -5.496 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.631 5.443 -4.644 1.00 0.50 C ATOM 1035 C LYS A 68 -14.228 4.840 -4.590 1.00 0.44 C ATOM 1036 O LYS A 68 -14.053 3.644 -4.399 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.645 4.427 -5.173 1.00 0.70 C ATOM 1038 CG LYS A 68 -16.808 3.189 -4.315 1.00 0.66 C ATOM 1039 CD LYS A 68 -17.838 2.246 -4.893 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.645 0.841 -4.367 1.00 2.27 C ATOM 1041 NZ LYS A 68 -18.725 -0.070 -4.837 1.00 3.31 N ATOM 0 H LYS A 68 -15.819 7.493 -4.993 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.908 5.724 -3.628 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.614 4.917 -5.268 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.343 4.121 -6.175 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -15.850 2.675 -4.230 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -17.104 3.480 -3.307 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.839 2.597 -4.642 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -17.764 2.244 -5.980 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -16.678 0.459 -4.693 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.630 0.858 -3.277 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -18.563 -1.025 -4.459 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -19.645 0.282 -4.505 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -18.722 -0.104 -5.876 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.223 5.676 -4.731 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.861 5.207 -4.677 1.00 0.31 C ATOM 1057 C VAL A 69 -11.062 6.013 -3.686 1.00 0.29 C ATOM 1058 O VAL A 69 -10.962 7.237 -3.770 1.00 0.35 O ATOM 1059 CB VAL A 69 -11.133 5.287 -6.021 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.922 4.367 -6.019 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -12.059 4.962 -7.178 1.00 0.43 C ATOM 0 H VAL A 69 -13.325 6.679 -4.883 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.931 4.160 -4.381 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.792 6.313 -6.159 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.413 4.433 -6.981 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.238 4.667 -5.225 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.246 3.340 -5.850 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.507 5.029 -8.116 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.450 3.952 -7.058 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.886 5.672 -7.192 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.524 5.313 -2.740 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.519 5.847 -1.873 1.00 0.25 C ATOM 1073 C TYR A 70 -8.203 5.337 -2.385 1.00 0.22 C ATOM 1074 O TYR A 70 -7.892 4.150 -2.271 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.678 5.409 -0.428 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.073 5.573 0.150 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.004 6.392 -0.472 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.461 4.909 1.308 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.275 6.544 0.042 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.730 5.059 1.828 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.620 5.869 1.225 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.902 6.027 1.704 1.00 0.93 O ATOM 0 H TYR A 70 -10.772 4.343 -2.544 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.594 6.934 -1.878 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.391 4.360 -0.350 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.979 5.977 0.186 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.729 6.919 -1.374 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -10.756 4.263 1.810 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -13.996 7.174 -0.458 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.011 4.524 2.723 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.347 5.155 1.742 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.468 6.216 -2.981 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.209 5.858 -3.578 1.00 0.19 C ATOM 1094 C LEU A 71 -5.107 6.134 -2.599 1.00 0.20 C ATOM 1095 O LEU A 71 -4.713 7.265 -2.362 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.960 6.599 -4.898 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.512 6.546 -5.416 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.987 5.113 -5.472 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -4.417 7.197 -6.784 1.00 0.52 C ATOM 0 H LEU A 71 -7.715 7.201 -3.072 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.235 4.795 -3.819 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.617 6.181 -5.660 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.245 7.643 -4.769 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.888 7.100 -4.715 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.962 5.115 -5.842 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.011 4.677 -4.473 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.613 4.522 -6.141 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -3.387 7.152 -7.138 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -5.064 6.669 -7.484 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.731 8.238 -6.714 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.625 5.076 -2.042 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.500 5.122 -1.175 1.00 0.21 C ATOM 1113 C PHE A 72 -2.253 5.060 -2.016 1.00 0.23 C ATOM 1114 O PHE A 72 -1.955 4.071 -2.682 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.549 3.971 -0.199 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.700 4.032 0.763 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -4.574 4.687 1.976 1.00 0.31 C ATOM 1118 CD2 PHE A 72 -5.912 3.437 0.452 1.00 0.28 C ATOM 1119 CE1 PHE A 72 -5.633 4.747 2.861 1.00 0.33 C ATOM 1120 CE2 PHE A 72 -6.975 3.494 1.331 1.00 0.30 C ATOM 1121 CZ PHE A 72 -6.834 4.149 2.537 1.00 0.30 C ATOM 0 H PHE A 72 -5.008 4.141 -2.179 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.505 6.046 -0.597 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.606 3.037 -0.758 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.617 3.948 0.367 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -3.636 5.157 2.234 1.00 0.31 H new ATOM 0 HD2 PHE A 72 -6.027 2.922 -0.490 1.00 0.28 H new ATOM 0 HE1 PHE A 72 -5.521 5.261 3.804 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -7.915 3.027 1.075 1.00 0.30 H new ATOM 0 HZ PHE A 72 -7.663 4.194 3.227 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.555 6.139 -1.971 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.371 6.330 -2.760 1.00 0.26 C ATOM 1133 C GLU A 73 0.828 6.241 -1.868 1.00 0.20 C ATOM 1134 O GLU A 73 0.949 6.970 -0.885 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.317 7.691 -3.434 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.624 8.216 -3.991 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.429 9.564 -4.658 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.738 10.429 -4.065 1.00 1.32 O ATOM 1139 OE2 GLU A 73 -1.945 9.764 -5.780 1.00 1.09 O ATOM 0 H GLU A 73 -1.788 6.934 -1.376 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.384 5.559 -3.530 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.063 8.415 -2.713 1.00 0.42 H new ATOM 0 HB3 GLU A 73 0.406 7.641 -4.248 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.028 7.505 -4.712 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -2.355 8.306 -3.188 1.00 0.59 H new ATOM 1146 N LEU A 74 1.703 5.365 -2.224 1.00 0.21 N ATOM 1147 CA LEU A 74 2.962 5.260 -1.566 1.00 0.21 C ATOM 1148 C LEU A 74 3.923 6.135 -2.275 1.00 0.20 C ATOM 1149 O LEU A 74 4.228 5.946 -3.454 1.00 0.25 O ATOM 1150 CB LEU A 74 3.528 3.859 -1.604 1.00 0.27 C ATOM 1151 CG LEU A 74 2.740 2.811 -0.840 1.00 0.27 C ATOM 1152 CD1 LEU A 74 2.657 3.226 0.605 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.353 2.640 -1.425 1.00 0.96 C ATOM 0 H LEU A 74 1.566 4.698 -2.983 1.00 0.21 H new ATOM 0 HA LEU A 74 2.811 5.543 -0.524 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.602 3.545 -2.645 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.543 3.886 -1.207 1.00 0.27 H new ATOM 0 HG LEU A 74 3.248 1.850 -0.919 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.093 2.481 1.166 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.662 3.307 1.019 1.00 0.85 H new ATOM 0 HD13 LEU A 74 2.156 4.191 0.678 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.810 1.883 -0.859 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.816 3.587 -1.372 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.433 2.326 -2.466 1.00 0.96 H new ATOM 1165 N HIS A 75 4.399 7.074 -1.557 1.00 0.18 N ATOM 1166 CA HIS A 75 5.491 7.847 -2.031 1.00 0.19 C ATOM 1167 C HIS A 75 6.611 7.465 -1.123 1.00 0.19 C ATOM 1168 O HIS A 75 6.753 7.996 -0.027 1.00 0.19 O ATOM 1169 CB HIS A 75 5.191 9.351 -1.962 1.00 0.23 C ATOM 1170 CG HIS A 75 3.973 9.772 -2.740 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.042 10.483 -3.919 1.00 1.01 N ATOM 1172 CD2 HIS A 75 2.649 9.595 -2.493 1.00 1.15 C ATOM 1173 CE1 HIS A 75 2.822 10.718 -4.365 1.00 0.88 C ATOM 1174 NE2 HIS A 75 1.959 10.190 -3.522 1.00 0.94 N ATOM 0 H HIS A 75 4.053 7.333 -0.633 1.00 0.18 H new ATOM 0 HA HIS A 75 5.718 7.657 -3.080 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.059 9.636 -0.918 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.055 9.900 -2.336 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.219 9.082 -1.646 1.00 1.15 H new ATOM 0 HE1 HIS A 75 2.573 11.253 -5.269 1.00 0.88 H new ATOM 0 HE2 HIS A 75 0.944 10.218 -3.617 1.00 0.94 H new ATOM 1183 N ILE A 76 7.381 6.505 -1.565 1.00 0.21 N ATOM 1184 CA ILE A 76 8.425 5.981 -0.741 1.00 0.23 C ATOM 1185 C ILE A 76 9.741 6.092 -1.440 1.00 0.25 C ATOM 1186 O ILE A 76 10.111 5.307 -2.294 1.00 0.28 O ATOM 1187 CB ILE A 76 8.153 4.530 -0.368 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.756 4.400 0.229 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.211 4.007 0.604 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.322 2.971 0.418 1.00 0.52 C ATOM 0 H ILE A 76 7.301 6.076 -2.487 1.00 0.21 H new ATOM 0 HA ILE A 76 8.457 6.569 0.176 1.00 0.23 H new ATOM 0 HB ILE A 76 8.206 3.923 -1.272 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.730 4.911 1.191 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.042 4.907 -0.420 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.993 2.969 0.854 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.195 4.070 0.139 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.200 4.609 1.512 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.320 2.949 0.846 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.316 2.462 -0.546 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.015 2.466 1.091 1.00 0.52 H new ATOM 1202 N THR A 77 10.436 7.072 -1.035 1.00 0.24 N ATOM 1203 CA THR A 77 11.705 7.358 -1.537 1.00 0.26 C ATOM 1204 C THR A 77 12.699 6.971 -0.510 1.00 0.36 C ATOM 1205 O THR A 77 12.457 7.059 0.698 1.00 0.58 O ATOM 1206 CB THR A 77 11.869 8.833 -1.895 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.709 9.656 -0.730 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.851 9.223 -2.942 1.00 0.37 C ATOM 0 H THR A 77 10.121 7.722 -0.315 1.00 0.24 H new ATOM 0 HA THR A 77 11.853 6.796 -2.459 1.00 0.26 H new ATOM 0 HB THR A 77 12.873 8.985 -2.293 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.819 10.598 -0.977 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.973 10.277 -3.193 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.998 8.617 -3.836 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.847 9.057 -2.553 1.00 0.37 H new ATOM 1216 N ASP A 78 13.765 6.514 -1.030 1.00 0.30 N ATOM 1217 CA ASP A 78 14.904 6.068 -0.266 1.00 0.45 C ATOM 1218 C ASP A 78 14.575 4.785 0.431 1.00 0.45 C ATOM 1219 O ASP A 78 14.215 4.725 1.607 1.00 0.70 O ATOM 1220 CB ASP A 78 15.332 7.120 0.705 1.00 0.61 C ATOM 1221 CG ASP A 78 16.547 6.733 1.525 1.00 1.44 C ATOM 1222 OD1 ASP A 78 17.660 6.711 0.962 1.00 1.97 O ATOM 1223 OD2 ASP A 78 16.396 6.470 2.738 1.00 2.12 O ATOM 0 H ASP A 78 13.895 6.428 -2.038 1.00 0.30 H new ATOM 0 HA ASP A 78 15.739 5.888 -0.943 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.550 8.038 0.160 1.00 0.61 H new ATOM 0 HB3 ASP A 78 14.504 7.338 1.379 1.00 0.61 H new ATOM 1228 N ALA A 79 14.619 3.783 -0.370 1.00 0.37 N ATOM 1229 CA ALA A 79 14.458 2.424 0.081 1.00 0.34 C ATOM 1230 C ALA A 79 15.756 1.976 0.701 1.00 0.38 C ATOM 1231 O ALA A 79 16.767 1.839 0.015 1.00 0.40 O ATOM 1232 CB ALA A 79 14.072 1.499 -1.062 1.00 0.34 C ATOM 0 H ALA A 79 14.770 3.872 -1.375 1.00 0.37 H new ATOM 0 HA ALA A 79 13.652 2.382 0.813 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.959 0.482 -0.685 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.129 1.832 -1.497 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.850 1.519 -1.825 1.00 0.34 H new ATOM 1238 N GLN A 80 15.737 1.796 2.001 1.00 0.47 N ATOM 1239 CA GLN A 80 16.909 1.338 2.705 1.00 0.55 C ATOM 1240 C GLN A 80 17.165 -0.121 2.320 1.00 0.43 C ATOM 1241 O GLN A 80 16.295 -0.763 1.743 1.00 0.43 O ATOM 1242 CB GLN A 80 16.684 1.494 4.206 1.00 0.74 C ATOM 1243 CG GLN A 80 16.152 0.250 4.882 1.00 0.78 C ATOM 1244 CD GLN A 80 16.612 0.149 6.311 1.00 1.06 C ATOM 1245 OE1 GLN A 80 15.927 0.577 7.237 1.00 1.37 O ATOM 1246 NE2 GLN A 80 17.801 -0.403 6.492 1.00 1.43 N ATOM 0 H GLN A 80 14.922 1.960 2.592 1.00 0.47 H new ATOM 0 HA GLN A 80 17.785 1.927 2.435 1.00 0.55 H new ATOM 0 HB2 GLN A 80 17.626 1.776 4.677 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.985 2.314 4.375 1.00 0.74 H new ATOM 0 HG2 GLN A 80 15.062 0.257 4.851 1.00 0.78 H new ATOM 0 HG3 GLN A 80 16.481 -0.631 4.331 1.00 0.78 H new ATOM 0 HE21 GLN A 80 18.332 -0.744 5.691 1.00 1.43 H new ATOM 0 HE22 GLN A 80 18.186 -0.488 7.433 1.00 1.43 H new ATOM 1255 N PRO A 81 18.342 -0.683 2.595 1.00 0.42 N ATOM 1256 CA PRO A 81 18.611 -2.066 2.231 1.00 0.44 C ATOM 1257 C PRO A 81 17.841 -3.031 3.129 1.00 0.54 C ATOM 1258 O PRO A 81 17.510 -2.695 4.271 1.00 1.33 O ATOM 1259 CB PRO A 81 20.126 -2.224 2.424 1.00 0.50 C ATOM 1260 CG PRO A 81 20.647 -0.855 2.731 1.00 0.57 C ATOM 1261 CD PRO A 81 19.489 -0.059 3.261 1.00 0.49 C ATOM 0 HA PRO A 81 18.297 -2.294 1.212 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.346 -2.917 3.237 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.594 -2.627 1.526 1.00 0.50 H new ATOM 0 HG2 PRO A 81 21.451 -0.903 3.465 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.059 -0.389 1.836 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.414 -0.126 4.346 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.576 0.999 3.012 1.00 0.49 H new ATOM 1269 N ALA A 82 17.536 -4.211 2.588 1.00 0.81 N ATOM 1270 CA ALA A 82 16.749 -5.232 3.283 1.00 0.88 C ATOM 1271 C ALA A 82 15.306 -4.774 3.495 1.00 0.77 C ATOM 1272 O ALA A 82 14.507 -5.476 4.105 1.00 0.91 O ATOM 1273 CB ALA A 82 17.394 -5.616 4.610 1.00 1.12 C ATOM 0 H ALA A 82 17.829 -4.487 1.651 1.00 0.81 H new ATOM 0 HA ALA A 82 16.729 -6.117 2.648 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.787 -6.376 5.103 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.393 -6.012 4.428 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.463 -4.736 5.249 1.00 1.12 H new ATOM 1279 N PHE A 83 14.979 -3.616 2.938 1.00 0.64 N ATOM 1280 CA PHE A 83 13.659 -3.019 3.061 1.00 0.68 C ATOM 1281 C PHE A 83 12.764 -3.609 2.009 1.00 0.76 C ATOM 1282 O PHE A 83 11.638 -3.160 1.876 1.00 1.24 O ATOM 1283 CB PHE A 83 13.808 -1.522 2.820 1.00 0.74 C ATOM 1284 CG PHE A 83 12.972 -0.614 3.663 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.688 -0.965 4.970 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.453 0.557 3.154 1.00 0.75 C ATOM 1287 CE1 PHE A 83 11.899 -0.163 5.759 1.00 0.90 C ATOM 1288 CE2 PHE A 83 11.661 1.371 3.938 1.00 0.83 C ATOM 1289 CZ PHE A 83 11.467 1.124 5.205 1.00 0.88 C ATOM 0 H PHE A 83 15.630 -3.060 2.383 1.00 0.64 H new ATOM 0 HA PHE A 83 13.231 -3.206 4.046 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.854 -1.257 2.971 1.00 0.74 H new ATOM 0 HB3 PHE A 83 13.576 -1.322 1.774 1.00 0.74 H new ATOM 0 HD1 PHE A 83 13.091 -1.881 5.376 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.668 0.840 2.134 1.00 0.75 H new ATOM 0 HE1 PHE A 83 11.607 -0.470 6.753 1.00 0.90 H new ATOM 0 HE2 PHE A 83 11.190 2.234 3.492 1.00 0.83 H new ATOM 0 HZ PHE A 83 10.993 1.860 5.838 1.00 0.88 H new ATOM 1299 N THR A 84 13.350 -4.554 1.229 1.00 0.55 N ATOM 1300 CA THR A 84 12.674 -5.404 0.267 1.00 0.58 C ATOM 1301 C THR A 84 11.184 -5.292 0.393 1.00 0.80 C ATOM 1302 O THR A 84 10.516 -6.110 1.020 1.00 1.22 O ATOM 1303 CB THR A 84 13.128 -6.851 0.432 1.00 0.97 C ATOM 1304 OG1 THR A 84 14.560 -6.921 0.335 1.00 1.10 O ATOM 1305 CG2 THR A 84 12.497 -7.757 -0.619 1.00 1.17 C ATOM 0 H THR A 84 14.353 -4.737 1.271 1.00 0.55 H new ATOM 0 HA THR A 84 12.943 -5.067 -0.734 1.00 0.58 H new ATOM 0 HB THR A 84 12.805 -7.198 1.414 1.00 0.97 H new ATOM 0 HG1 THR A 84 14.850 -7.851 0.443 1.00 1.10 H new ATOM 0 HG21 THR A 84 12.842 -8.780 -0.472 1.00 1.17 H new ATOM 0 HG22 THR A 84 11.412 -7.723 -0.524 1.00 1.17 H new ATOM 0 HG23 THR A 84 12.785 -7.416 -1.613 1.00 1.17 H new ATOM 1313 N GLY A 85 10.724 -4.240 -0.243 1.00 0.87 N ATOM 1314 CA GLY A 85 9.441 -3.643 0.027 1.00 1.43 C ATOM 1315 C GLY A 85 8.296 -4.507 -0.307 1.00 0.96 C ATOM 1316 O GLY A 85 7.589 -4.288 -1.283 1.00 1.29 O ATOM 0 H GLY A 85 11.246 -3.766 -0.980 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.389 -3.381 1.084 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.358 -2.714 -0.537 1.00 1.43 H new ATOM 1320 N GLY A 86 8.128 -5.463 0.521 1.00 0.52 N ATOM 1321 CA GLY A 86 6.997 -6.312 0.455 1.00 0.52 C ATOM 1322 C GLY A 86 5.874 -5.660 1.185 1.00 0.40 C ATOM 1323 O GLY A 86 5.564 -5.982 2.330 1.00 0.43 O ATOM 0 H GLY A 86 8.778 -5.684 1.275 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.719 -6.493 -0.583 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.225 -7.282 0.898 1.00 0.52 H new ATOM 1327 N TYR A 87 5.344 -4.662 0.540 1.00 0.34 N ATOM 1328 CA TYR A 87 4.256 -3.903 1.085 1.00 0.28 C ATOM 1329 C TYR A 87 2.977 -4.683 0.833 1.00 0.30 C ATOM 1330 O TYR A 87 2.662 -5.020 -0.314 1.00 0.39 O ATOM 1331 CB TYR A 87 4.186 -2.521 0.443 1.00 0.35 C ATOM 1332 CG TYR A 87 5.357 -1.625 0.783 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.605 -1.811 0.199 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.209 -0.588 1.684 1.00 0.47 C ATOM 1335 CE1 TYR A 87 7.671 -0.987 0.508 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.266 0.238 2.000 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.496 0.034 1.413 1.00 0.54 C ATOM 1338 OH TYR A 87 8.553 0.858 1.733 1.00 0.63 O ATOM 0 H TYR A 87 5.654 -4.351 -0.380 1.00 0.34 H new ATOM 0 HA TYR A 87 4.399 -3.752 2.155 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.132 -2.637 -0.640 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.264 -2.032 0.757 1.00 0.35 H new ATOM 0 HD1 TYR A 87 6.744 -2.614 -0.509 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.248 -0.422 2.149 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.633 -1.144 0.043 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.131 1.044 2.706 1.00 0.54 H new ATOM 0 HH TYR A 87 9.269 0.743 1.073 1.00 0.63 H new ATOM 1348 N ARG A 88 2.262 -5.008 1.888 1.00 0.33 N ATOM 1349 CA ARG A 88 1.083 -5.834 1.756 1.00 0.36 C ATOM 1350 C ARG A 88 -0.148 -5.020 2.088 1.00 0.36 C ATOM 1351 O ARG A 88 -0.358 -4.635 3.240 1.00 0.60 O ATOM 1352 CB ARG A 88 1.174 -7.054 2.674 1.00 0.42 C ATOM 1353 CG ARG A 88 2.403 -7.903 2.421 1.00 1.09 C ATOM 1354 CD ARG A 88 2.487 -9.064 3.392 1.00 1.23 C ATOM 1355 NE ARG A 88 3.720 -9.822 3.217 1.00 1.73 N ATOM 1356 CZ ARG A 88 4.154 -10.743 4.069 1.00 2.17 C ATOM 1357 NH1 ARG A 88 3.440 -11.052 5.146 1.00 2.11 N ATOM 1358 NH2 ARG A 88 5.302 -11.364 3.846 1.00 3.15 N ATOM 0 H ARG A 88 2.475 -4.715 2.841 1.00 0.33 H new ATOM 0 HA ARG A 88 1.014 -6.186 0.727 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.179 -6.720 3.712 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.283 -7.668 2.541 1.00 0.42 H new ATOM 0 HG2 ARG A 88 2.380 -8.283 1.400 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.297 -7.286 2.512 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.432 -8.689 4.414 1.00 1.23 H new ATOM 0 HD3 ARG A 88 1.631 -9.723 3.247 1.00 1.23 H new ATOM 0 HE ARG A 88 4.284 -9.633 2.389 1.00 1.73 H new ATOM 0 HH11 ARG A 88 2.553 -10.581 5.322 1.00 2.11 H new ATOM 0 HH12 ARG A 88 3.779 -11.761 5.797 1.00 2.11 H new ATOM 0 HH21 ARG A 88 5.854 -11.135 3.019 1.00 3.15 H new ATOM 0 HH22 ARG A 88 5.635 -12.071 4.501 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.939 -4.730 1.078 1.00 0.26 N ATOM 1373 CA CYS A 89 -2.147 -3.947 1.270 1.00 0.27 C ATOM 1374 C CYS A 89 -3.311 -4.871 1.532 1.00 0.25 C ATOM 1375 O CYS A 89 -3.766 -5.576 0.635 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.437 -3.095 0.047 1.00 0.39 C ATOM 1377 SG CYS A 89 -1.146 -3.181 -1.209 1.00 1.08 S ATOM 0 H CYS A 89 -0.771 -5.023 0.116 1.00 0.26 H new ATOM 0 HA CYS A 89 -2.001 -3.287 2.125 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -3.383 -3.413 -0.392 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.563 -2.058 0.358 1.00 0.39 H new ATOM 0 HG CYS A 89 -0.524 -2.041 -1.270 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.769 -4.876 2.760 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.828 -5.769 3.164 1.00 0.28 C ATOM 1385 C GLU A 90 -6.029 -4.955 3.631 1.00 0.26 C ATOM 1386 O GLU A 90 -6.016 -4.373 4.716 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.314 -6.686 4.275 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.005 -7.382 3.910 1.00 1.19 C ATOM 1389 CD GLU A 90 -2.425 -8.233 5.027 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -2.080 -7.671 6.088 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -2.357 -9.470 4.868 1.00 1.43 O ATOM 0 H GLU A 90 -3.422 -4.267 3.502 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.143 -6.387 2.323 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.168 -6.102 5.184 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.070 -7.439 4.498 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -3.172 -8.012 3.036 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.272 -6.628 3.624 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.047 -4.877 2.786 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.228 -4.089 3.095 1.00 0.22 C ATOM 1400 C VAL A 91 -9.347 -4.973 3.615 1.00 0.22 C ATOM 1401 O VAL A 91 -9.545 -6.094 3.149 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.720 -3.261 1.881 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.819 -4.117 0.630 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.053 -2.583 2.174 1.00 0.51 C ATOM 0 H VAL A 91 -7.078 -5.350 1.883 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.939 -3.384 3.875 1.00 0.22 H new ATOM 0 HB VAL A 91 -7.978 -2.483 1.700 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.167 -3.506 -0.203 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.838 -4.529 0.393 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.523 -4.931 0.801 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.369 -2.011 1.302 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.803 -3.340 2.403 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.941 -1.913 3.027 1.00 0.51 H new ATOM 1414 N SER A 92 -10.080 -4.440 4.568 1.00 0.22 N ATOM 1415 CA SER A 92 -11.125 -5.169 5.243 1.00 0.25 C ATOM 1416 C SER A 92 -12.352 -4.285 5.298 1.00 0.26 C ATOM 1417 O SER A 92 -12.371 -3.259 5.981 1.00 0.30 O ATOM 1418 CB SER A 92 -10.665 -5.565 6.652 1.00 0.32 C ATOM 1419 OG SER A 92 -11.660 -6.304 7.338 1.00 1.18 O ATOM 0 H SER A 92 -9.965 -3.481 4.897 1.00 0.22 H new ATOM 0 HA SER A 92 -11.361 -6.087 4.706 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.753 -6.158 6.584 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.420 -4.668 7.221 1.00 0.32 H new ATOM 0 HG SER A 92 -11.334 -6.541 8.231 1.00 1.18 H new ATOM 1425 N THR A 93 -13.353 -4.647 4.528 1.00 0.28 N ATOM 1426 CA THR A 93 -14.550 -3.862 4.442 1.00 0.35 C ATOM 1427 C THR A 93 -15.746 -4.763 4.638 1.00 0.39 C ATOM 1428 O THR A 93 -15.578 -5.974 4.573 1.00 0.59 O ATOM 1429 CB THR A 93 -14.610 -3.185 3.076 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.278 -2.873 2.681 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.425 -1.905 3.087 1.00 0.57 C ATOM 0 H THR A 93 -13.355 -5.488 3.951 1.00 0.28 H new ATOM 0 HA THR A 93 -14.554 -3.094 5.216 1.00 0.35 H new ATOM 0 HB THR A 93 -15.096 -3.872 2.382 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.793 -2.490 3.441 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.431 -1.469 2.088 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.447 -2.127 3.392 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.982 -1.198 3.789 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.911 -4.148 4.913 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.232 -4.817 5.008 1.00 0.43 C ATOM 1441 C LYS A 94 -18.145 -6.349 4.951 1.00 0.42 C ATOM 1442 O LYS A 94 -18.354 -7.039 5.946 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.131 -4.323 3.872 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.348 -3.899 2.636 1.00 0.47 C ATOM 1445 CD LYS A 94 -19.001 -4.337 1.337 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.258 -5.840 1.266 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.565 -6.243 1.847 1.00 0.65 N ATOM 0 H LYS A 94 -16.966 -3.143 5.081 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.647 -4.558 5.982 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.830 -5.113 3.599 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.725 -3.480 4.226 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -18.243 -2.814 2.635 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.343 -4.317 2.689 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -19.946 -3.808 1.217 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -18.364 -4.045 0.502 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -19.218 -6.159 0.225 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -18.459 -6.363 1.791 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -20.995 -6.981 1.254 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.419 -6.612 2.808 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -21.197 -5.418 1.885 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.827 -6.845 3.757 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.648 -8.256 3.494 1.00 0.40 C ATOM 1463 C ASP A 95 -16.597 -8.458 2.413 1.00 0.37 C ATOM 1464 O ASP A 95 -16.252 -9.582 2.063 1.00 0.47 O ATOM 1465 CB ASP A 95 -18.959 -8.857 3.038 1.00 0.46 C ATOM 1466 CG ASP A 95 -18.935 -10.373 2.978 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -18.848 -11.008 4.047 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.010 -10.937 1.868 1.00 1.05 O ATOM 0 H ASP A 95 -17.686 -6.259 2.934 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.318 -8.747 4.409 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.752 -8.540 3.716 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.207 -8.465 2.052 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.071 -7.359 1.891 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.106 -7.441 0.824 1.00 0.29 C ATOM 1475 C LYS A 96 -13.745 -7.446 1.448 1.00 0.27 C ATOM 1476 O LYS A 96 -13.451 -6.641 2.333 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.203 -6.295 -0.215 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.491 -6.777 -1.623 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.252 -7.369 -2.280 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.446 -7.602 -3.772 1.00 1.00 C ATOM 1481 NZ LYS A 96 -15.534 -8.568 -4.069 1.00 1.29 N ATOM 0 H LYS A 96 -16.299 -6.411 2.191 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.309 -8.354 0.264 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -15.988 -5.603 0.091 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.267 -5.736 -0.215 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.282 -7.526 -1.596 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -15.860 -5.946 -2.224 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -13.406 -6.699 -2.126 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.003 -8.313 -1.796 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.668 -6.652 -4.257 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -13.514 -7.969 -4.202 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -15.576 -8.739 -5.094 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -15.347 -9.464 -3.576 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -16.442 -8.178 -3.746 1.00 1.29 H new ATOM 1495 N PHE A 97 -12.962 -8.400 1.049 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.589 -8.478 1.476 1.00 0.29 C ATOM 1497 C PHE A 97 -10.687 -8.721 0.287 1.00 0.32 C ATOM 1498 O PHE A 97 -10.929 -9.608 -0.531 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.413 -9.566 2.523 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.033 -9.630 3.120 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.026 -10.336 2.482 1.00 0.65 C ATOM 1502 CD2 PHE A 97 -9.739 -8.984 4.313 1.00 0.62 C ATOM 1503 CE1 PHE A 97 -7.755 -10.399 3.021 1.00 0.77 C ATOM 1504 CE2 PHE A 97 -8.470 -9.043 4.855 1.00 0.75 C ATOM 1505 CZ PHE A 97 -7.487 -9.745 4.234 1.00 0.74 C ATOM 0 H PHE A 97 -13.251 -9.148 0.419 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.310 -7.528 1.931 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.136 -9.405 3.323 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.647 -10.530 2.072 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -9.237 -10.843 1.552 1.00 0.65 H new ATOM 0 HD2 PHE A 97 -10.512 -8.429 4.823 1.00 0.62 H new ATOM 0 HE1 PHE A 97 -6.975 -10.947 2.513 1.00 0.77 H new ATOM 0 HE2 PHE A 97 -8.258 -8.527 5.780 1.00 0.75 H new ATOM 0 HZ PHE A 97 -6.501 -9.800 4.672 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.662 -7.916 0.213 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.662 -8.014 -0.835 1.00 0.43 C ATOM 1517 C ASP A 98 -7.304 -7.714 -0.249 1.00 0.36 C ATOM 1518 O ASP A 98 -7.186 -6.926 0.693 1.00 0.36 O ATOM 1519 CB ASP A 98 -8.944 -7.039 -1.983 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.039 -7.509 -2.926 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -9.827 -8.514 -3.632 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.103 -6.850 -2.998 1.00 1.60 O ATOM 0 H ASP A 98 -9.489 -7.164 0.881 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.692 -9.026 -1.240 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.226 -6.072 -1.566 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.027 -6.886 -2.552 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.283 -8.344 -0.786 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.932 -8.104 -0.324 1.00 0.30 C ATOM 1529 C CYS A 99 -3.947 -8.169 -1.470 1.00 0.32 C ATOM 1530 O CYS A 99 -4.085 -8.979 -2.389 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.541 -9.092 0.774 1.00 0.34 C ATOM 1532 SG CYS A 99 -4.890 -10.823 0.383 1.00 1.19 S ATOM 0 H CYS A 99 -6.361 -9.025 -1.541 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.901 -7.099 0.097 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.475 -8.986 0.978 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.069 -8.826 1.690 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.520 -11.575 1.376 1.00 1.19 H new ATOM 1538 N SER A 100 -2.970 -7.293 -1.419 1.00 0.27 N ATOM 1539 CA SER A 100 -1.929 -7.254 -2.429 1.00 0.30 C ATOM 1540 C SER A 100 -0.579 -7.522 -1.825 1.00 0.31 C ATOM 1541 O SER A 100 -0.309 -7.202 -0.666 1.00 0.42 O ATOM 1542 CB SER A 100 -1.901 -5.931 -3.191 1.00 0.38 C ATOM 1543 OG SER A 100 -0.750 -5.820 -4.015 1.00 0.84 O ATOM 0 H SER A 100 -2.871 -6.592 -0.685 1.00 0.27 H new ATOM 0 HA SER A 100 -2.166 -8.042 -3.143 1.00 0.30 H new ATOM 0 HB2 SER A 100 -2.797 -5.847 -3.806 1.00 0.38 H new ATOM 0 HB3 SER A 100 -1.922 -5.103 -2.482 1.00 0.38 H new ATOM 0 HG SER A 100 -0.656 -6.631 -4.557 1.00 0.84 H new ATOM 1549 N ASN A 101 0.251 -8.119 -2.635 1.00 0.34 N ATOM 1550 CA ASN A 101 1.594 -8.470 -2.240 1.00 0.37 C ATOM 1551 C ASN A 101 2.578 -8.077 -3.331 1.00 0.42 C ATOM 1552 O ASN A 101 2.549 -8.612 -4.437 1.00 0.65 O ATOM 1553 CB ASN A 101 1.698 -9.969 -1.910 1.00 0.60 C ATOM 1554 CG ASN A 101 0.933 -10.888 -2.865 1.00 0.97 C ATOM 1555 OD1 ASN A 101 0.405 -11.916 -2.441 1.00 1.58 O ATOM 1556 ND2 ASN A 101 0.877 -10.553 -4.153 1.00 1.05 N ATOM 0 H ASN A 101 0.017 -8.379 -3.593 1.00 0.34 H new ATOM 0 HA ASN A 101 1.846 -7.919 -1.334 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.749 -10.256 -1.915 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.328 -10.131 -0.897 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.387 -11.154 -4.816 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.324 -9.695 -4.477 1.00 1.05 H new ATOM 1563 N PHE A 102 3.418 -7.114 -3.038 1.00 0.31 N ATOM 1564 CA PHE A 102 4.396 -6.660 -3.995 1.00 0.38 C ATOM 1565 C PHE A 102 5.679 -6.343 -3.265 1.00 0.30 C ATOM 1566 O PHE A 102 5.641 -5.842 -2.147 1.00 0.37 O ATOM 1567 CB PHE A 102 3.863 -5.458 -4.765 1.00 0.57 C ATOM 1568 CG PHE A 102 3.379 -4.332 -3.907 1.00 0.46 C ATOM 1569 CD1 PHE A 102 4.247 -3.348 -3.472 1.00 0.61 C ATOM 1570 CD2 PHE A 102 2.047 -4.251 -3.551 1.00 0.59 C ATOM 1571 CE1 PHE A 102 3.793 -2.307 -2.697 1.00 0.84 C ATOM 1572 CE2 PHE A 102 1.591 -3.216 -2.776 1.00 0.74 C ATOM 1573 CZ PHE A 102 2.461 -2.238 -2.348 1.00 0.86 C ATOM 0 H PHE A 102 3.443 -6.629 -2.141 1.00 0.31 H new ATOM 0 HA PHE A 102 4.600 -7.441 -4.728 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.650 -5.085 -5.421 1.00 0.57 H new ATOM 0 HB3 PHE A 102 3.044 -5.787 -5.405 1.00 0.57 H new ATOM 0 HD1 PHE A 102 5.291 -3.397 -3.743 1.00 0.61 H new ATOM 0 HD2 PHE A 102 1.357 -5.011 -3.887 1.00 0.59 H new ATOM 0 HE1 PHE A 102 4.480 -1.544 -2.362 1.00 0.84 H new ATOM 0 HE2 PHE A 102 0.548 -3.168 -2.501 1.00 0.74 H new ATOM 0 HZ PHE A 102 2.101 -1.420 -1.741 1.00 0.86 H new ATOM 1583 N ASN A 103 6.798 -6.681 -3.871 1.00 0.24 N ATOM 1584 CA ASN A 103 8.076 -6.540 -3.225 1.00 0.25 C ATOM 1585 C ASN A 103 9.006 -5.566 -3.926 1.00 0.28 C ATOM 1586 O ASN A 103 9.199 -5.594 -5.143 1.00 0.49 O ATOM 1587 CB ASN A 103 8.759 -7.892 -3.058 1.00 0.33 C ATOM 1588 CG ASN A 103 8.588 -8.843 -4.209 1.00 1.08 C ATOM 1589 OD1 ASN A 103 8.418 -10.048 -4.021 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.691 -8.332 -5.398 1.00 1.25 N ATOM 0 H ASN A 103 6.843 -7.058 -4.818 1.00 0.24 H new ATOM 0 HA ASN A 103 7.864 -6.118 -2.242 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.825 -7.726 -2.901 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.374 -8.366 -2.155 1.00 0.33 H new ATOM 0 HD21 ASN A 103 8.631 -8.934 -6.219 1.00 1.25 H new ATOM 0 HD22 ASN A 103 8.831 -7.328 -5.511 1.00 1.25 H new ATOM 1597 N LEU A 104 9.602 -4.738 -3.108 1.00 0.23 N ATOM 1598 CA LEU A 104 10.581 -3.750 -3.549 1.00 0.24 C ATOM 1599 C LEU A 104 11.982 -4.308 -3.374 1.00 0.25 C ATOM 1600 O LEU A 104 12.470 -4.463 -2.269 1.00 0.37 O ATOM 1601 CB LEU A 104 10.430 -2.419 -2.776 1.00 0.27 C ATOM 1602 CG LEU A 104 11.719 -1.683 -2.473 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.732 -0.378 -3.231 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.929 -1.438 -0.975 1.00 0.30 C ATOM 0 H LEU A 104 9.427 -4.722 -2.103 1.00 0.23 H new ATOM 0 HA LEU A 104 10.404 -3.538 -4.603 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.783 -1.758 -3.352 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.920 -2.623 -1.834 1.00 0.27 H new ATOM 0 HG LEU A 104 12.546 -2.315 -2.796 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.657 0.157 -3.018 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.667 -0.578 -4.301 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.882 0.230 -2.923 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.869 -0.907 -0.821 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.106 -0.839 -0.585 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.962 -2.393 -0.451 1.00 0.30 H new ATOM 1616 N THR A 105 12.630 -4.608 -4.461 1.00 0.23 N ATOM 1617 CA THR A 105 13.952 -5.177 -4.392 1.00 0.24 C ATOM 1618 C THR A 105 14.975 -4.059 -4.314 1.00 0.21 C ATOM 1619 O THR A 105 15.352 -3.472 -5.326 1.00 0.22 O ATOM 1620 CB THR A 105 14.250 -6.074 -5.602 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.099 -6.880 -5.899 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.443 -6.978 -5.323 1.00 0.32 C ATOM 0 H THR A 105 12.270 -4.470 -5.405 1.00 0.23 H new ATOM 0 HA THR A 105 14.008 -5.800 -3.499 1.00 0.24 H new ATOM 0 HB THR A 105 14.486 -5.437 -6.455 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.290 -7.451 -6.672 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.636 -7.605 -6.194 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.321 -6.367 -5.114 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.227 -7.610 -4.462 1.00 0.32 H new ATOM 1630 N VAL A 106 15.387 -3.752 -3.100 1.00 0.23 N ATOM 1631 CA VAL A 106 16.341 -2.709 -2.862 1.00 0.23 C ATOM 1632 C VAL A 106 17.741 -3.247 -3.069 1.00 0.25 C ATOM 1633 O VAL A 106 18.229 -4.129 -2.365 1.00 0.28 O ATOM 1634 CB VAL A 106 16.191 -2.071 -1.466 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.275 -3.096 -0.360 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.196 -0.950 -1.284 1.00 0.33 C ATOM 0 H VAL A 106 15.064 -4.224 -2.256 1.00 0.23 H new ATOM 0 HA VAL A 106 16.148 -1.912 -3.580 1.00 0.23 H new ATOM 0 HB VAL A 106 15.193 -1.639 -1.401 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.164 -2.600 0.604 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.480 -3.831 -0.484 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.242 -3.597 -0.401 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.076 -0.511 -0.294 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.206 -1.347 -1.385 1.00 0.33 H new ATOM 0 HG23 VAL A 106 17.029 -0.185 -2.042 1.00 0.33 H new ATOM 1646 N HIS A 107 18.337 -2.711 -4.080 1.00 0.26 N ATOM 1647 CA HIS A 107 19.649 -3.117 -4.529 1.00 0.31 C ATOM 1648 C HIS A 107 20.701 -2.277 -3.842 1.00 0.34 C ATOM 1649 O HIS A 107 20.921 -1.121 -4.186 1.00 0.36 O ATOM 1650 CB HIS A 107 19.789 -2.965 -6.052 1.00 0.36 C ATOM 1651 CG HIS A 107 18.907 -3.871 -6.868 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.829 -3.795 -8.242 1.00 1.19 N ATOM 1653 CD2 HIS A 107 18.059 -4.865 -6.504 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.973 -4.693 -8.684 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.492 -5.358 -7.653 1.00 0.53 N ATOM 0 H HIS A 107 17.927 -1.961 -4.637 1.00 0.26 H new ATOM 0 HA HIS A 107 19.785 -4.168 -4.275 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.569 -1.932 -6.320 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.827 -3.151 -6.326 1.00 0.36 H new ATOM 0 HD2 HIS A 107 17.866 -5.205 -5.497 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.709 -4.857 -9.718 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.810 -6.115 -7.701 1.00 0.53 H new ATOM 1664 N GLU A 108 21.295 -2.853 -2.833 1.00 0.45 N ATOM 1665 CA GLU A 108 22.442 -2.242 -2.173 1.00 0.56 C ATOM 1666 C GLU A 108 23.720 -2.505 -2.966 1.00 0.71 C ATOM 1667 O GLU A 108 24.189 -1.648 -3.715 1.00 1.33 O ATOM 1668 CB GLU A 108 22.593 -2.761 -0.744 1.00 0.71 C ATOM 1669 CG GLU A 108 23.777 -2.148 -0.022 1.00 0.87 C ATOM 1670 CD GLU A 108 23.884 -2.591 1.417 1.00 1.20 C ATOM 1671 OE1 GLU A 108 24.183 -3.777 1.662 1.00 1.67 O ATOM 1672 OE2 GLU A 108 23.681 -1.752 2.315 1.00 1.66 O ATOM 0 H GLU A 108 21.010 -3.750 -2.440 1.00 0.45 H new ATOM 0 HA GLU A 108 22.270 -1.166 -2.130 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.682 -2.547 -0.186 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.707 -3.845 -0.765 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.694 -2.415 -0.548 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.694 -1.062 -0.057 1.00 0.87 H new