USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 706 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 41 TYR OH : rot 165:sc= 1.09 USER MOD Set 1.2: A 67 TYR OH : rot -124:sc= 0.14 USER MOD Set 2.1: A 62 GLN : amide:sc= -2.1! K(o=-2.1!,f=0.24) USER MOD Set 2.2: A 63 GLN : amide:sc= 0.0476 K(o=-2.1,f=-9.4!) USER MOD Set 3.1: A 46 MET CE :methyl -147:sc= -1.85 (180deg=-3.35!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 10 GLN : amide:sc= -1.12 K(o=-0.9,f=0.65) USER MOD Set 4.2: A 26 CYS SG : rot -139:sc= 0.214 USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.2) USER MOD Single : A 7 GLN : amide:sc= -0.0497 X(o=-0.05,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= 1.18 (180deg=1.03) USER MOD Single : A 12 ASN : amide:sc= -0.69 K(o=-0.69,f=-1.5) USER MOD Single : A 13 SER OG : rot -19:sc= 0.333 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.17) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc=-0.00749 X(o=-0.0075,f=0) USER MOD Single : A 27 TYR OH : rot -149:sc= -0.581 USER MOD Single : A 29 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.47) USER MOD Single : A 32 THR OG1 : rot 86:sc= 0.505 USER MOD Single : A 34 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.79) USER MOD Single : A 36 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.018) USER MOD Single : A 37 ASN : amide:sc= 0.212 K(o=0.21,f=-5.1!) USER MOD Single : A 42 SER OG : rot 40:sc= -1.66! USER MOD Single : A 43 ASN : amide:sc=-0.000281 K(o=-0.00028,f=-8.7!) USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.24) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 56 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.083) USER MOD Single : A 59 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.14) USER MOD Single : A 60 MET CE :methyl 159:sc= -0.185 (180deg=-1.23) USER MOD Single : A 61 CYS SG : rot 79:sc= 0.00908 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00225 USER MOD Single : A 69 SER OG : rot 180:sc=0.000911 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0905 USER MOD Single : A 73 HIS : no HE2:sc= -1.99! C(o=-2!,f=-3.7!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= 2.43 (180deg=2.27) USER MOD Single : A 81 GLN : amide:sc= -4.6! C(o=-4.6!,f=-6.4!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.748 K(o=0.75,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 4 20.479 -6.429 -6.257 1.00 0.00 N ATOM 32 CA PHE A 4 19.396 -5.722 -6.931 1.00 0.00 C ATOM 33 C PHE A 4 19.988 -4.462 -7.533 1.00 0.00 C ATOM 34 O PHE A 4 19.642 -4.036 -8.632 1.00 0.00 O ATOM 35 CB PHE A 4 18.351 -5.337 -5.878 1.00 0.00 C ATOM 36 CG PHE A 4 17.314 -4.325 -6.312 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.587 -2.947 -6.239 1.00 0.00 C ATOM 38 CD2 PHE A 4 16.063 -4.762 -6.772 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.591 -2.018 -6.566 1.00 0.00 C ATOM 40 CE2 PHE A 4 15.073 -3.829 -7.111 1.00 0.00 C ATOM 41 CZ PHE A 4 15.338 -2.456 -7.000 1.00 0.00 C ATOM 0 HA PHE A 4 18.933 -6.335 -7.704 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.835 -6.243 -5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.872 -4.943 -5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.564 -2.605 -5.931 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.862 -5.819 -6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.793 -0.960 -6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.107 -4.167 -7.457 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.572 -1.737 -7.250 1.00 0.00 H new ATOM 51 N GLU A 5 20.904 -3.879 -6.767 1.00 0.00 N ATOM 52 CA GLU A 5 21.653 -2.705 -7.122 1.00 0.00 C ATOM 53 C GLU A 5 22.329 -2.835 -8.474 1.00 0.00 C ATOM 54 O GLU A 5 22.166 -1.965 -9.318 1.00 0.00 O ATOM 55 CB GLU A 5 22.728 -2.516 -6.067 1.00 0.00 C ATOM 56 CG GLU A 5 22.126 -2.191 -4.701 1.00 0.00 C ATOM 57 CD GLU A 5 21.589 -3.422 -3.973 1.00 0.00 C ATOM 58 OE1 GLU A 5 22.004 -4.546 -4.337 1.00 0.00 O ATOM 59 OE2 GLU A 5 20.763 -3.232 -3.053 1.00 0.00 O ATOM 0 H GLU A 5 21.146 -4.237 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 5 20.966 -1.860 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.330 -3.422 -5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.398 -1.712 -6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 5 22.884 -1.712 -4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.318 -1.471 -4.829 1.00 0.00 H new ATOM 66 N LYS A 6 23.093 -3.902 -8.705 1.00 0.00 N ATOM 67 CA LYS A 6 23.860 -4.012 -9.915 1.00 0.00 C ATOM 68 C LYS A 6 22.978 -4.006 -11.146 1.00 0.00 C ATOM 69 O LYS A 6 23.285 -3.325 -12.117 1.00 0.00 O ATOM 70 CB LYS A 6 24.662 -5.291 -9.808 1.00 0.00 C ATOM 71 CG LYS A 6 25.793 -5.330 -10.820 1.00 0.00 C ATOM 72 CD LYS A 6 26.749 -4.145 -10.665 1.00 0.00 C ATOM 73 CE LYS A 6 27.406 -4.135 -9.285 1.00 0.00 C ATOM 74 NZ LYS A 6 28.333 -2.996 -9.148 1.00 0.00 N ATOM 0 H LYS A 6 23.188 -4.691 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 6 24.520 -3.152 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.071 -5.381 -8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.005 -6.147 -9.963 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.349 -6.260 -10.705 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.377 -5.330 -11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.518 -4.193 -11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.204 -3.213 -10.817 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.638 -4.078 -8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.946 -5.069 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.853 -3.078 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 29.006 -2.999 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.794 -2.107 -9.156 1.00 0.00 H new ATOM 88 N GLN A 7 21.882 -4.758 -11.116 1.00 0.00 N ATOM 89 CA GLN A 7 20.944 -4.803 -12.218 1.00 0.00 C ATOM 90 C GLN A 7 20.287 -3.437 -12.424 1.00 0.00 C ATOM 91 O GLN A 7 19.680 -3.186 -13.463 1.00 0.00 O ATOM 92 CB GLN A 7 19.909 -5.876 -11.910 1.00 0.00 C ATOM 93 CG GLN A 7 20.657 -7.148 -11.513 1.00 0.00 C ATOM 94 CD GLN A 7 19.739 -8.345 -11.586 1.00 0.00 C ATOM 95 OE1 GLN A 7 19.361 -8.930 -10.574 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.370 -8.708 -12.807 1.00 0.00 N ATOM 0 H GLN A 7 21.625 -5.350 -10.326 1.00 0.00 H new ATOM 0 HA GLN A 7 21.461 -5.048 -13.146 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.252 -5.552 -11.103 1.00 0.00 H new ATOM 0 HB3 GLN A 7 19.279 -6.060 -12.780 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.511 -7.296 -12.174 1.00 0.00 H new ATOM 0 HG3 GLN A 7 21.051 -7.045 -10.502 1.00 0.00 H new ATOM 0 HE21 GLN A 7 19.710 -8.191 -13.618 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.746 -9.504 -12.936 1.00 0.00 H new ATOM 105 N LYS A 8 20.409 -2.550 -11.427 1.00 0.00 N ATOM 106 CA LYS A 8 19.832 -1.223 -11.462 1.00 0.00 C ATOM 107 C LYS A 8 20.846 -0.181 -11.929 1.00 0.00 C ATOM 108 O LYS A 8 20.531 0.591 -12.830 1.00 0.00 O ATOM 109 CB LYS A 8 19.333 -0.949 -10.050 1.00 0.00 C ATOM 110 CG LYS A 8 18.589 0.368 -9.932 1.00 0.00 C ATOM 111 CD LYS A 8 18.033 0.398 -8.516 1.00 0.00 C ATOM 112 CE LYS A 8 19.143 0.354 -7.467 1.00 0.00 C ATOM 113 NZ LYS A 8 20.029 1.533 -7.550 1.00 0.00 N ATOM 0 H LYS A 8 20.921 -2.748 -10.567 1.00 0.00 H new ATOM 0 HA LYS A 8 19.015 -1.162 -12.180 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.676 -1.761 -9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.181 -0.944 -9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.255 1.212 -10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.789 0.434 -10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.439 1.301 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.363 -0.449 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.700 0.302 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.733 -0.553 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.648 1.562 -6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.611 1.470 -8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.453 2.398 -7.584 1.00 0.00 H new ATOM 127 N GLU A 9 22.049 -0.143 -11.342 1.00 0.00 N ATOM 128 CA GLU A 9 23.069 0.806 -11.772 1.00 0.00 C ATOM 129 C GLU A 9 23.796 0.345 -13.038 1.00 0.00 C ATOM 130 O GLU A 9 24.417 1.162 -13.711 1.00 0.00 O ATOM 131 CB GLU A 9 24.077 1.116 -10.661 1.00 0.00 C ATOM 132 CG GLU A 9 24.760 -0.148 -10.156 1.00 0.00 C ATOM 133 CD GLU A 9 25.979 0.156 -9.290 1.00 0.00 C ATOM 134 OE1 GLU A 9 25.903 1.109 -8.483 1.00 0.00 O ATOM 135 OE2 GLU A 9 26.985 -0.573 -9.442 1.00 0.00 O ATOM 0 H GLU A 9 22.333 -0.754 -10.576 1.00 0.00 H new ATOM 0 HA GLU A 9 22.537 1.727 -12.009 1.00 0.00 H new ATOM 0 HB2 GLU A 9 24.828 1.812 -11.034 1.00 0.00 H new ATOM 0 HB3 GLU A 9 23.567 1.610 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 9 24.047 -0.738 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 9 25.065 -0.758 -11.007 1.00 0.00 H new ATOM 142 N GLN A 10 23.731 -0.944 -13.383 1.00 0.00 N ATOM 143 CA GLN A 10 24.256 -1.386 -14.667 1.00 0.00 C ATOM 144 C GLN A 10 23.403 -0.832 -15.801 1.00 0.00 C ATOM 145 O GLN A 10 23.932 -0.256 -16.743 1.00 0.00 O ATOM 146 CB GLN A 10 24.286 -2.911 -14.725 1.00 0.00 C ATOM 147 CG GLN A 10 25.002 -3.410 -15.980 1.00 0.00 C ATOM 148 CD GLN A 10 24.048 -4.143 -16.915 1.00 0.00 C ATOM 149 OE1 GLN A 10 24.039 -5.371 -16.962 1.00 0.00 O ATOM 150 NE2 GLN A 10 23.238 -3.399 -17.661 1.00 0.00 N ATOM 0 H GLN A 10 23.329 -1.681 -12.803 1.00 0.00 H new ATOM 0 HA GLN A 10 25.273 -1.011 -14.779 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.788 -3.300 -13.839 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.267 -3.297 -14.709 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.450 -2.566 -16.504 1.00 0.00 H new ATOM 0 HG3 GLN A 10 25.816 -4.076 -15.695 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.274 -2.382 -17.595 1.00 0.00 H new ATOM 0 HE22 GLN A 10 22.580 -3.845 -18.300 1.00 0.00 H new ATOM 159 N GLY A 11 22.080 -0.996 -15.719 1.00 0.00 N ATOM 160 CA GLY A 11 21.178 -0.459 -16.726 1.00 0.00 C ATOM 161 C GLY A 11 21.122 1.058 -16.634 1.00 0.00 C ATOM 162 O GLY A 11 20.800 1.719 -17.615 1.00 0.00 O ATOM 0 H GLY A 11 21.615 -1.498 -14.962 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.513 -0.757 -17.719 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.180 -0.875 -16.588 1.00 0.00 H new ATOM 166 N ASN A 12 21.439 1.624 -15.466 1.00 0.00 N ATOM 167 CA ASN A 12 21.482 3.062 -15.279 1.00 0.00 C ATOM 168 C ASN A 12 22.441 3.663 -16.299 1.00 0.00 C ATOM 169 O ASN A 12 22.090 4.601 -17.013 1.00 0.00 O ATOM 170 CB ASN A 12 21.946 3.318 -13.847 1.00 0.00 C ATOM 171 CG ASN A 12 22.016 4.776 -13.425 1.00 0.00 C ATOM 172 OD1 ASN A 12 21.644 5.683 -14.163 1.00 0.00 O ATOM 173 ND2 ASN A 12 22.504 4.993 -12.206 1.00 0.00 N ATOM 0 H ASN A 12 21.672 1.091 -14.628 1.00 0.00 H new ATOM 0 HA ASN A 12 20.507 3.525 -15.430 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.273 2.795 -13.168 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.934 2.875 -13.721 1.00 0.00 H new ATOM 0 HD21 ASN A 12 22.581 5.946 -11.850 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.801 4.207 -11.628 1.00 0.00 H new ATOM 180 N SER A 13 23.657 3.112 -16.366 1.00 0.00 N ATOM 181 CA SER A 13 24.693 3.595 -17.264 1.00 0.00 C ATOM 182 C SER A 13 24.456 3.168 -18.711 1.00 0.00 C ATOM 183 O SER A 13 25.278 3.467 -19.570 1.00 0.00 O ATOM 184 CB SER A 13 26.058 3.118 -16.775 1.00 0.00 C ATOM 185 OG SER A 13 26.150 1.712 -16.867 1.00 0.00 O ATOM 0 H SER A 13 23.944 2.317 -15.795 1.00 0.00 H new ATOM 0 HA SER A 13 24.662 4.685 -17.253 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.846 3.580 -17.369 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.212 3.432 -15.743 1.00 0.00 H new ATOM 0 HG SER A 13 25.250 1.328 -16.920 1.00 0.00 H new ATOM 191 N LEU A 14 23.346 2.478 -18.995 1.00 0.00 N ATOM 192 CA LEU A 14 22.913 2.218 -20.361 1.00 0.00 C ATOM 193 C LEU A 14 21.772 3.169 -20.731 1.00 0.00 C ATOM 194 O LEU A 14 21.722 3.669 -21.856 1.00 0.00 O ATOM 195 CB LEU A 14 22.452 0.754 -20.479 1.00 0.00 C ATOM 196 CG LEU A 14 23.569 -0.206 -20.866 1.00 0.00 C ATOM 197 CD1 LEU A 14 24.360 -0.520 -19.623 1.00 0.00 C ATOM 198 CD2 LEU A 14 22.988 -1.523 -21.387 1.00 0.00 C ATOM 0 H LEU A 14 22.728 2.088 -18.283 1.00 0.00 H new ATOM 0 HA LEU A 14 23.742 2.386 -21.048 1.00 0.00 H new ATOM 0 HB2 LEU A 14 22.026 0.438 -19.527 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.656 0.691 -21.221 1.00 0.00 H new ATOM 0 HG LEU A 14 24.185 0.253 -21.640 1.00 0.00 H new ATOM 0 HD11 LEU A 14 25.169 -1.207 -19.870 1.00 0.00 H new ATOM 0 HD12 LEU A 14 24.778 0.401 -19.215 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.706 -0.981 -18.882 1.00 0.00 H new ATOM 0 HD21 LEU A 14 23.801 -2.197 -21.659 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.378 -1.984 -20.610 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.371 -1.327 -22.264 1.00 0.00 H new ATOM 210 N PHE A 15 20.853 3.429 -19.799 1.00 0.00 N ATOM 211 CA PHE A 15 19.723 4.315 -20.040 1.00 0.00 C ATOM 212 C PHE A 15 20.200 5.702 -20.423 1.00 0.00 C ATOM 213 O PHE A 15 19.536 6.403 -21.184 1.00 0.00 O ATOM 214 CB PHE A 15 18.898 4.405 -18.759 1.00 0.00 C ATOM 215 CG PHE A 15 18.094 5.679 -18.601 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.941 5.893 -19.369 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.509 6.653 -17.677 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.192 7.066 -19.198 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.729 7.796 -17.465 1.00 0.00 C ATOM 220 CZ PHE A 15 16.579 8.014 -18.237 1.00 0.00 C ATOM 0 H PHE A 15 20.875 3.031 -18.860 1.00 0.00 H new ATOM 0 HA PHE A 15 19.124 3.917 -20.859 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.215 3.556 -18.725 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.569 4.309 -17.905 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.629 5.154 -20.093 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.431 6.520 -17.130 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.317 7.241 -19.806 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.013 8.510 -16.706 1.00 0.00 H new ATOM 0 HZ PHE A 15 15.992 8.909 -18.093 1.00 0.00 H new ATOM 230 N LYS A 16 21.355 6.107 -19.897 1.00 0.00 N ATOM 231 CA LYS A 16 21.844 7.455 -20.101 1.00 0.00 C ATOM 232 C LYS A 16 22.814 7.545 -21.278 1.00 0.00 C ATOM 233 O LYS A 16 23.528 8.538 -21.418 1.00 0.00 O ATOM 234 CB LYS A 16 22.437 7.944 -18.788 1.00 0.00 C ATOM 235 CG LYS A 16 23.686 7.180 -18.355 1.00 0.00 C ATOM 236 CD LYS A 16 23.836 7.222 -16.832 1.00 0.00 C ATOM 237 CE LYS A 16 23.566 8.596 -16.217 1.00 0.00 C ATOM 238 NZ LYS A 16 24.533 9.609 -16.682 1.00 0.00 N ATOM 0 H LYS A 16 21.963 5.517 -19.329 1.00 0.00 H new ATOM 0 HA LYS A 16 21.022 8.114 -20.380 1.00 0.00 H new ATOM 0 HB2 LYS A 16 22.684 9.001 -18.883 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.682 7.862 -18.006 1.00 0.00 H new ATOM 0 HG2 LYS A 16 23.622 6.145 -18.692 1.00 0.00 H new ATOM 0 HG3 LYS A 16 24.568 7.615 -18.826 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.153 6.497 -16.390 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.846 6.910 -16.568 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.556 8.915 -16.472 1.00 0.00 H new ATOM 0 HE3 LYS A 16 23.612 8.522 -15.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.315 10.525 -16.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 25.495 9.318 -16.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.472 9.699 -17.716 1.00 0.00 H new ATOM 252 N GLN A 17 22.842 6.512 -22.125 1.00 0.00 N ATOM 253 CA GLN A 17 23.725 6.447 -23.274 1.00 0.00 C ATOM 254 C GLN A 17 22.964 6.421 -24.594 1.00 0.00 C ATOM 255 O GLN A 17 23.579 6.554 -25.650 1.00 0.00 O ATOM 256 CB GLN A 17 24.545 5.165 -23.181 1.00 0.00 C ATOM 257 CG GLN A 17 25.517 5.259 -22.014 1.00 0.00 C ATOM 258 CD GLN A 17 26.615 4.205 -22.122 1.00 0.00 C ATOM 259 OE1 GLN A 17 27.795 4.510 -21.968 1.00 0.00 O ATOM 260 NE2 GLN A 17 26.241 2.956 -22.388 1.00 0.00 N ATOM 0 H GLN A 17 22.243 5.693 -22.024 1.00 0.00 H new ATOM 0 HA GLN A 17 24.351 7.339 -23.260 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.884 4.308 -23.048 1.00 0.00 H new ATOM 0 HB3 GLN A 17 25.092 5.004 -24.110 1.00 0.00 H new ATOM 0 HG2 GLN A 17 25.965 6.253 -21.990 1.00 0.00 H new ATOM 0 HG3 GLN A 17 24.977 5.130 -21.076 1.00 0.00 H new ATOM 0 HE21 GLN A 17 25.253 2.735 -22.511 1.00 0.00 H new ATOM 0 HE22 GLN A 17 26.942 2.220 -22.469 1.00 0.00 H new ATOM 269 N GLY A 18 21.638 6.245 -24.549 1.00 0.00 N ATOM 270 CA GLY A 18 20.866 6.129 -25.781 1.00 0.00 C ATOM 271 C GLY A 18 20.034 4.872 -25.858 1.00 0.00 C ATOM 272 O GLY A 18 18.989 4.840 -26.505 1.00 0.00 O ATOM 0 H GLY A 18 21.091 6.181 -23.690 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.210 6.995 -25.871 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.548 6.156 -26.631 1.00 0.00 H new ATOM 276 N LEU A 19 20.512 3.831 -25.188 1.00 0.00 N ATOM 277 CA LEU A 19 19.979 2.502 -25.363 1.00 0.00 C ATOM 278 C LEU A 19 19.060 2.142 -24.211 1.00 0.00 C ATOM 279 O LEU A 19 19.282 1.215 -23.435 1.00 0.00 O ATOM 280 CB LEU A 19 21.099 1.522 -25.666 1.00 0.00 C ATOM 281 CG LEU A 19 22.480 1.840 -25.078 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.517 1.328 -23.647 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.563 1.107 -25.869 1.00 0.00 C ATOM 0 H LEU A 19 21.275 3.892 -24.514 1.00 0.00 H new ATOM 0 HA LEU A 19 19.334 2.452 -26.240 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.796 0.539 -25.306 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.201 1.448 -26.749 1.00 0.00 H new ATOM 0 HG LEU A 19 22.656 2.915 -25.121 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.491 1.544 -23.208 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.739 1.821 -23.064 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.347 0.251 -23.641 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.541 1.337 -25.446 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.388 0.032 -25.815 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.533 1.428 -26.910 1.00 0.00 H new ATOM 295 N TYR A 20 18.002 2.943 -24.148 1.00 0.00 N ATOM 296 CA TYR A 20 16.951 2.882 -23.162 1.00 0.00 C ATOM 297 C TYR A 20 16.436 1.468 -22.973 1.00 0.00 C ATOM 298 O TYR A 20 16.197 1.062 -21.844 1.00 0.00 O ATOM 299 CB TYR A 20 15.844 3.803 -23.670 1.00 0.00 C ATOM 300 CG TYR A 20 16.393 5.148 -24.087 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.153 5.901 -23.176 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.163 5.628 -25.383 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.690 7.135 -23.570 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.698 6.861 -25.778 1.00 0.00 C ATOM 305 CZ TYR A 20 17.467 7.621 -24.874 1.00 0.00 C ATOM 306 OH TYR A 20 17.991 8.821 -25.254 1.00 0.00 O ATOM 0 H TYR A 20 17.855 3.691 -24.826 1.00 0.00 H new ATOM 0 HA TYR A 20 17.319 3.196 -22.185 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.340 3.336 -24.516 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.096 3.940 -22.889 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.323 5.531 -22.176 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.573 5.048 -26.077 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.276 7.715 -22.872 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.521 7.230 -26.777 1.00 0.00 H new ATOM 0 HH TYR A 20 17.744 9.006 -26.184 1.00 0.00 H new ATOM 316 N ARG A 21 16.264 0.702 -24.055 1.00 0.00 N ATOM 317 CA ARG A 21 15.670 -0.625 -23.957 1.00 0.00 C ATOM 318 C ARG A 21 16.684 -1.594 -23.386 1.00 0.00 C ATOM 319 O ARG A 21 16.340 -2.413 -22.546 1.00 0.00 O ATOM 320 CB ARG A 21 15.290 -1.065 -25.372 1.00 0.00 C ATOM 321 CG ARG A 21 14.054 -1.959 -25.411 1.00 0.00 C ATOM 322 CD ARG A 21 14.058 -3.088 -24.381 1.00 0.00 C ATOM 323 NE ARG A 21 12.908 -3.978 -24.577 1.00 0.00 N ATOM 324 CZ ARG A 21 12.874 -4.989 -25.449 1.00 0.00 C ATOM 325 NH1 ARG A 21 13.922 -5.261 -26.225 1.00 0.00 N ATOM 326 NH2 ARG A 21 11.783 -5.740 -25.553 1.00 0.00 N ATOM 0 H ARG A 21 16.527 0.980 -25.000 1.00 0.00 H new ATOM 0 HA ARG A 21 14.795 -0.607 -23.307 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.111 -0.181 -25.985 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.130 -1.597 -25.818 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.169 -1.342 -25.252 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.966 -2.393 -26.407 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.983 -3.658 -24.464 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.031 -2.669 -23.375 1.00 0.00 H new ATOM 0 HE ARG A 21 12.078 -3.813 -24.008 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.767 -4.693 -26.158 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.880 -6.037 -26.886 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.971 -5.544 -24.967 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.757 -6.512 -26.219 1.00 0.00 H new ATOM 340 N GLU A 22 17.937 -1.503 -23.837 1.00 0.00 N ATOM 341 CA GLU A 22 18.990 -2.358 -23.308 1.00 0.00 C ATOM 342 C GLU A 22 19.142 -2.099 -21.812 1.00 0.00 C ATOM 343 O GLU A 22 19.520 -2.986 -21.051 1.00 0.00 O ATOM 344 CB GLU A 22 20.294 -2.056 -24.027 1.00 0.00 C ATOM 345 CG GLU A 22 20.112 -2.269 -25.524 1.00 0.00 C ATOM 346 CD GLU A 22 19.771 -3.719 -25.861 1.00 0.00 C ATOM 347 OE1 GLU A 22 20.707 -4.550 -25.856 1.00 0.00 O ATOM 348 OE2 GLU A 22 18.577 -3.984 -26.121 1.00 0.00 O ATOM 0 H GLU A 22 18.241 -0.851 -24.560 1.00 0.00 H new ATOM 0 HA GLU A 22 18.733 -3.405 -23.466 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.600 -1.029 -23.830 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.087 -2.703 -23.651 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.319 -1.616 -25.889 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.026 -1.982 -26.044 1.00 0.00 H new ATOM 355 N ALA A 23 18.840 -0.866 -21.408 1.00 0.00 N ATOM 356 CA ALA A 23 18.844 -0.452 -20.021 1.00 0.00 C ATOM 357 C ALA A 23 17.663 -1.047 -19.256 1.00 0.00 C ATOM 358 O ALA A 23 17.813 -1.426 -18.097 1.00 0.00 O ATOM 359 CB ALA A 23 18.788 1.074 -19.984 1.00 0.00 C ATOM 0 H ALA A 23 18.582 -0.119 -22.053 1.00 0.00 H new ATOM 0 HA ALA A 23 19.751 -0.813 -19.537 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.790 1.413 -18.948 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.656 1.483 -20.501 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.878 1.417 -20.476 1.00 0.00 H new ATOM 365 N VAL A 24 16.484 -1.141 -19.884 1.00 0.00 N ATOM 366 CA VAL A 24 15.300 -1.640 -19.233 1.00 0.00 C ATOM 367 C VAL A 24 15.387 -3.142 -19.091 1.00 0.00 C ATOM 368 O VAL A 24 14.772 -3.764 -18.236 1.00 0.00 O ATOM 369 CB VAL A 24 14.029 -1.298 -20.001 1.00 0.00 C ATOM 370 CG1 VAL A 24 13.936 0.092 -20.598 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.483 -2.375 -20.905 1.00 0.00 C ATOM 0 H VAL A 24 16.340 -0.870 -20.857 1.00 0.00 H new ATOM 0 HA VAL A 24 15.248 -1.160 -18.256 1.00 0.00 H new ATOM 0 HB VAL A 24 13.329 -1.262 -19.167 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.983 0.203 -21.116 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.005 0.835 -19.803 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.752 0.240 -21.305 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.579 -2.014 -21.396 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.228 -2.630 -21.659 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.247 -3.260 -20.315 1.00 0.00 H new ATOM 381 N HIS A 25 16.183 -3.704 -19.982 1.00 0.00 N ATOM 382 CA HIS A 25 16.448 -5.116 -20.081 1.00 0.00 C ATOM 383 C HIS A 25 17.181 -5.661 -18.856 1.00 0.00 C ATOM 384 O HIS A 25 17.394 -6.868 -18.752 1.00 0.00 O ATOM 385 CB HIS A 25 17.255 -5.326 -21.346 1.00 0.00 C ATOM 386 CG HIS A 25 16.757 -6.443 -22.214 1.00 0.00 C ATOM 387 ND1 HIS A 25 16.450 -7.746 -21.818 1.00 0.00 N ATOM 388 CD2 HIS A 25 16.501 -6.302 -23.543 1.00 0.00 C ATOM 389 CE1 HIS A 25 15.993 -8.350 -22.928 1.00 0.00 C ATOM 390 NE2 HIS A 25 16.025 -7.514 -23.980 1.00 0.00 N ATOM 0 H HIS A 25 16.682 -3.159 -20.685 1.00 0.00 H new ATOM 0 HA HIS A 25 15.508 -5.667 -20.121 1.00 0.00 H new ATOM 0 HB2 HIS A 25 17.251 -4.402 -21.924 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.291 -5.527 -21.074 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.644 -5.412 -24.138 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.646 -9.372 -22.969 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.745 -7.740 -24.935 1.00 0.00 H new ATOM 398 N CYS A 26 17.559 -4.777 -17.929 1.00 0.00 N ATOM 399 CA CYS A 26 18.156 -5.139 -16.650 1.00 0.00 C ATOM 400 C CYS A 26 17.303 -4.547 -15.529 1.00 0.00 C ATOM 401 O CYS A 26 17.269 -5.069 -14.416 1.00 0.00 O ATOM 402 CB CYS A 26 19.592 -4.622 -16.592 1.00 0.00 C ATOM 403 SG CYS A 26 20.549 -5.354 -17.943 1.00 0.00 S ATOM 0 H CYS A 26 17.455 -3.770 -18.054 1.00 0.00 H new ATOM 0 HA CYS A 26 18.187 -6.222 -16.532 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.602 -3.535 -16.672 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.043 -4.876 -15.633 1.00 0.00 H new ATOM 0 HG CYS A 26 21.731 -5.679 -17.511 1.00 0.00 H new ATOM 409 N TYR A 27 16.615 -3.446 -15.838 1.00 0.00 N ATOM 410 CA TYR A 27 15.597 -2.837 -14.998 1.00 0.00 C ATOM 411 C TYR A 27 14.438 -3.802 -14.783 1.00 0.00 C ATOM 412 O TYR A 27 13.853 -3.828 -13.708 1.00 0.00 O ATOM 413 CB TYR A 27 15.061 -1.635 -15.766 1.00 0.00 C ATOM 414 CG TYR A 27 15.973 -0.442 -15.901 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.197 -0.367 -15.218 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.559 0.612 -16.724 1.00 0.00 C ATOM 417 CE1 TYR A 27 17.987 0.785 -15.339 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.327 1.769 -16.836 1.00 0.00 C ATOM 419 CZ TYR A 27 17.549 1.859 -16.140 1.00 0.00 C ATOM 420 OH TYR A 27 18.299 2.987 -16.234 1.00 0.00 O ATOM 0 H TYR A 27 16.761 -2.941 -16.712 1.00 0.00 H new ATOM 0 HA TYR A 27 16.021 -2.566 -14.031 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.789 -1.968 -16.768 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.143 -1.305 -15.280 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.528 -1.191 -14.603 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.635 0.527 -17.277 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.931 0.849 -14.818 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.989 2.590 -17.451 1.00 0.00 H new ATOM 0 HH TYR A 27 17.713 3.758 -16.380 1.00 0.00 H new ATOM 430 N ASP A 28 14.109 -4.594 -15.805 1.00 0.00 N ATOM 431 CA ASP A 28 12.986 -5.515 -15.767 1.00 0.00 C ATOM 432 C ASP A 28 13.231 -6.583 -14.702 1.00 0.00 C ATOM 433 O ASP A 28 12.286 -7.158 -14.166 1.00 0.00 O ATOM 434 CB ASP A 28 12.807 -6.131 -17.154 1.00 0.00 C ATOM 435 CG ASP A 28 11.502 -6.910 -17.245 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.441 -6.246 -17.214 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.571 -8.156 -17.346 1.00 0.00 O ATOM 0 H ASP A 28 14.622 -4.610 -16.686 1.00 0.00 H new ATOM 0 HA ASP A 28 12.069 -4.989 -15.501 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.818 -5.344 -17.908 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.645 -6.793 -17.372 1.00 0.00 H new ATOM 442 N GLN A 29 14.504 -6.847 -14.394 1.00 0.00 N ATOM 443 CA GLN A 29 14.862 -7.806 -13.362 1.00 0.00 C ATOM 444 C GLN A 29 14.719 -7.201 -11.966 1.00 0.00 C ATOM 445 O GLN A 29 14.707 -7.938 -10.984 1.00 0.00 O ATOM 446 CB GLN A 29 16.280 -8.325 -13.586 1.00 0.00 C ATOM 447 CG GLN A 29 16.314 -9.477 -14.598 1.00 0.00 C ATOM 448 CD GLN A 29 15.743 -9.112 -15.968 1.00 0.00 C ATOM 449 OE1 GLN A 29 14.952 -9.846 -16.551 1.00 0.00 O ATOM 450 NE2 GLN A 29 16.165 -7.959 -16.478 1.00 0.00 N ATOM 0 H GLN A 29 15.302 -6.405 -14.850 1.00 0.00 H new ATOM 0 HA GLN A 29 14.171 -8.646 -13.429 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.913 -7.511 -13.941 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.697 -8.663 -12.637 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.345 -9.810 -14.721 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.753 -10.320 -14.194 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.824 -7.381 -15.956 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.830 -7.652 -17.391 1.00 0.00 H new ATOM 459 N LEU A 30 14.606 -5.872 -11.849 1.00 0.00 N ATOM 460 CA LEU A 30 14.345 -5.238 -10.560 1.00 0.00 C ATOM 461 C LEU A 30 12.912 -5.519 -10.159 1.00 0.00 C ATOM 462 O LEU A 30 12.627 -5.745 -8.988 1.00 0.00 O ATOM 463 CB LEU A 30 14.525 -3.724 -10.673 1.00 0.00 C ATOM 464 CG LEU A 30 15.878 -3.327 -11.234 1.00 0.00 C ATOM 465 CD1 LEU A 30 16.054 -1.818 -11.137 1.00 0.00 C ATOM 466 CD2 LEU A 30 17.029 -4.013 -10.499 1.00 0.00 C ATOM 0 H LEU A 30 14.691 -5.221 -12.630 1.00 0.00 H new ATOM 0 HA LEU A 30 15.040 -5.634 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.740 -3.317 -11.311 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.400 -3.274 -9.688 1.00 0.00 H new ATOM 0 HG LEU A 30 15.904 -3.647 -12.276 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.027 -1.538 -11.541 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.268 -1.323 -11.707 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.993 -1.511 -10.093 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.977 -3.699 -10.935 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.004 -3.736 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.927 -5.094 -10.592 1.00 0.00 H new ATOM 478 N ILE A 31 12.005 -5.507 -11.142 1.00 0.00 N ATOM 479 CA ILE A 31 10.620 -5.834 -10.874 1.00 0.00 C ATOM 480 C ILE A 31 10.500 -7.339 -10.687 1.00 0.00 C ATOM 481 O ILE A 31 9.735 -7.825 -9.869 1.00 0.00 O ATOM 482 CB ILE A 31 9.713 -5.398 -12.027 1.00 0.00 C ATOM 483 CG1 ILE A 31 9.921 -3.947 -12.450 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.299 -5.497 -11.489 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.712 -3.905 -13.744 1.00 0.00 C ATOM 0 H ILE A 31 12.211 -5.276 -12.114 1.00 0.00 H new ATOM 0 HA ILE A 31 10.306 -5.306 -9.974 1.00 0.00 H new ATOM 0 HB ILE A 31 9.925 -6.024 -12.893 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.958 -3.455 -12.584 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.452 -3.402 -11.669 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.593 -5.198 -12.264 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.095 -6.525 -11.189 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.191 -4.839 -10.627 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.861 -2.868 -14.046 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.681 -4.382 -13.594 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.164 -4.435 -14.523 1.00 0.00 H new ATOM 497 N THR A 32 11.256 -8.116 -11.442 1.00 0.00 N ATOM 498 CA THR A 32 11.185 -9.560 -11.320 1.00 0.00 C ATOM 499 C THR A 32 11.833 -10.039 -10.021 1.00 0.00 C ATOM 500 O THR A 32 11.488 -11.114 -9.528 1.00 0.00 O ATOM 501 CB THR A 32 11.947 -10.098 -12.531 1.00 0.00 C ATOM 502 OG1 THR A 32 11.210 -9.863 -13.709 1.00 0.00 O ATOM 503 CG2 THR A 32 12.360 -11.562 -12.505 1.00 0.00 C ATOM 0 H THR A 32 11.919 -7.776 -12.139 1.00 0.00 H new ATOM 0 HA THR A 32 10.153 -9.910 -11.292 1.00 0.00 H new ATOM 0 HB THR A 32 12.885 -9.543 -12.498 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.409 -8.964 -14.045 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.891 -11.807 -13.425 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.013 -11.741 -11.651 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.472 -12.189 -12.421 1.00 0.00 H new ATOM 511 N ALA A 33 12.759 -9.261 -9.453 1.00 0.00 N ATOM 512 CA ALA A 33 13.388 -9.621 -8.192 1.00 0.00 C ATOM 513 C ALA A 33 12.632 -8.999 -7.027 1.00 0.00 C ATOM 514 O ALA A 33 12.628 -9.535 -5.919 1.00 0.00 O ATOM 515 CB ALA A 33 14.831 -9.111 -8.167 1.00 0.00 C ATOM 0 H ALA A 33 13.085 -8.380 -9.851 1.00 0.00 H new ATOM 0 HA ALA A 33 13.373 -10.707 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.297 -9.384 -7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.390 -9.559 -8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.835 -8.026 -8.274 1.00 0.00 H new ATOM 521 N GLN A 34 11.991 -7.860 -7.284 1.00 0.00 N ATOM 522 CA GLN A 34 11.213 -7.131 -6.305 1.00 0.00 C ATOM 523 C GLN A 34 10.010 -6.511 -7.007 1.00 0.00 C ATOM 524 O GLN A 34 9.943 -5.306 -7.230 1.00 0.00 O ATOM 525 CB GLN A 34 12.146 -6.100 -5.700 1.00 0.00 C ATOM 526 CG GLN A 34 11.950 -5.884 -4.204 1.00 0.00 C ATOM 527 CD GLN A 34 13.271 -5.353 -3.664 1.00 0.00 C ATOM 528 OE1 GLN A 34 13.623 -5.547 -2.505 1.00 0.00 O ATOM 529 NE2 GLN A 34 14.008 -4.672 -4.540 1.00 0.00 N ATOM 0 H GLN A 34 12.003 -7.415 -8.202 1.00 0.00 H new ATOM 0 HA GLN A 34 10.820 -7.761 -5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.176 -6.408 -5.880 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.003 -5.150 -6.215 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.143 -5.176 -4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.677 -6.817 -3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.672 -4.537 -5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.909 -4.285 -4.257 1.00 0.00 H new ATOM 538 N PRO A 35 9.051 -7.362 -7.362 1.00 0.00 N ATOM 539 CA PRO A 35 7.888 -6.989 -8.150 1.00 0.00 C ATOM 540 C PRO A 35 6.978 -6.076 -7.364 1.00 0.00 C ATOM 541 O PRO A 35 6.045 -5.476 -7.891 1.00 0.00 O ATOM 542 CB PRO A 35 7.250 -8.307 -8.555 1.00 0.00 C ATOM 543 CG PRO A 35 7.998 -9.419 -7.820 1.00 0.00 C ATOM 544 CD PRO A 35 9.073 -8.760 -6.993 1.00 0.00 C ATOM 0 HA PRO A 35 8.136 -6.409 -9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.192 -8.318 -8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.313 -8.449 -9.634 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.317 -9.986 -7.185 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.435 -10.123 -8.529 1.00 0.00 H new ATOM 0 HD2 PRO A 35 8.880 -8.887 -5.928 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.048 -9.203 -7.195 1.00 0.00 H new ATOM 552 N GLN A 36 7.299 -5.998 -6.083 1.00 0.00 N ATOM 553 CA GLN A 36 6.739 -5.032 -5.159 1.00 0.00 C ATOM 554 C GLN A 36 7.745 -3.943 -4.790 1.00 0.00 C ATOM 555 O GLN A 36 7.931 -3.633 -3.613 1.00 0.00 O ATOM 556 CB GLN A 36 6.164 -5.726 -3.926 1.00 0.00 C ATOM 557 CG GLN A 36 5.162 -6.828 -4.274 1.00 0.00 C ATOM 558 CD GLN A 36 5.754 -8.195 -3.968 1.00 0.00 C ATOM 559 OE1 GLN A 36 5.461 -8.794 -2.938 1.00 0.00 O ATOM 560 NE2 GLN A 36 6.595 -8.699 -4.864 1.00 0.00 N ATOM 0 H GLN A 36 7.976 -6.624 -5.647 1.00 0.00 H new ATOM 0 HA GLN A 36 5.915 -4.529 -5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.980 -6.155 -3.344 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.676 -4.985 -3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.243 -6.686 -3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.896 -6.767 -5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.815 -8.172 -5.709 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.020 -9.613 -4.707 1.00 0.00 H new ATOM 569 N ASN A 37 8.399 -3.358 -5.800 1.00 0.00 N ATOM 570 CA ASN A 37 9.319 -2.246 -5.628 1.00 0.00 C ATOM 571 C ASN A 37 9.086 -1.254 -6.768 1.00 0.00 C ATOM 572 O ASN A 37 8.952 -1.660 -7.921 1.00 0.00 O ATOM 573 CB ASN A 37 10.759 -2.762 -5.606 1.00 0.00 C ATOM 574 CG ASN A 37 11.546 -2.352 -6.834 1.00 0.00 C ATOM 575 OD1 ASN A 37 12.263 -1.358 -6.826 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.407 -3.124 -7.900 1.00 0.00 N ATOM 0 H ASN A 37 8.297 -3.654 -6.771 1.00 0.00 H new ATOM 0 HA ASN A 37 9.145 -1.739 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.262 -2.386 -4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.750 -3.849 -5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.908 -2.901 -8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.799 -3.942 -7.861 1.00 0.00 H new ATOM 583 N PRO A 38 9.036 0.045 -6.464 1.00 0.00 N ATOM 584 CA PRO A 38 8.795 1.090 -7.441 1.00 0.00 C ATOM 585 C PRO A 38 9.932 1.301 -8.426 1.00 0.00 C ATOM 586 O PRO A 38 9.679 1.280 -9.625 1.00 0.00 O ATOM 587 CB PRO A 38 8.678 2.355 -6.610 1.00 0.00 C ATOM 588 CG PRO A 38 8.404 1.910 -5.191 1.00 0.00 C ATOM 589 CD PRO A 38 9.185 0.608 -5.138 1.00 0.00 C ATOM 0 HA PRO A 38 7.922 0.827 -8.038 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.596 2.941 -6.663 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.873 2.990 -6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.758 2.633 -4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.341 1.761 -5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.233 0.783 -4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.789 -0.062 -4.375 1.00 0.00 H new ATOM 597 N VAL A 39 11.176 1.507 -7.964 1.00 0.00 N ATOM 598 CA VAL A 39 12.311 1.720 -8.845 1.00 0.00 C ATOM 599 C VAL A 39 12.334 0.779 -10.039 1.00 0.00 C ATOM 600 O VAL A 39 12.760 1.138 -11.131 1.00 0.00 O ATOM 601 CB VAL A 39 13.609 1.616 -8.063 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.495 1.784 -6.554 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.495 0.477 -8.525 1.00 0.00 C ATOM 0 H VAL A 39 11.411 1.529 -6.972 1.00 0.00 H new ATOM 0 HA VAL A 39 12.205 2.726 -9.250 1.00 0.00 H new ATOM 0 HB VAL A 39 14.153 2.521 -8.334 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.482 1.690 -6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.084 2.768 -6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 39 12.837 1.014 -6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.405 0.458 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 39 13.964 -0.468 -8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.754 0.620 -9.574 1.00 0.00 H new ATOM 613 N GLY A 40 11.865 -0.435 -9.797 1.00 0.00 N ATOM 614 CA GLY A 40 11.740 -1.455 -10.829 1.00 0.00 C ATOM 615 C GLY A 40 10.940 -0.890 -11.992 1.00 0.00 C ATOM 616 O GLY A 40 11.408 -0.871 -13.128 1.00 0.00 O ATOM 0 H GLY A 40 11.558 -0.743 -8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.727 -1.769 -11.169 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.245 -2.339 -10.426 1.00 0.00 H new ATOM 620 N TYR A 41 9.732 -0.422 -11.695 1.00 0.00 N ATOM 621 CA TYR A 41 8.869 0.218 -12.660 1.00 0.00 C ATOM 622 C TYR A 41 9.447 1.564 -13.077 1.00 0.00 C ATOM 623 O TYR A 41 9.221 2.001 -14.195 1.00 0.00 O ATOM 624 CB TYR A 41 7.534 0.421 -11.954 1.00 0.00 C ATOM 625 CG TYR A 41 6.887 -0.873 -11.547 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.241 -1.668 -12.503 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.949 -1.279 -10.209 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.672 -2.893 -12.127 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.398 -2.512 -9.831 1.00 0.00 C ATOM 630 CZ TYR A 41 5.755 -3.325 -10.788 1.00 0.00 C ATOM 631 OH TYR A 41 5.213 -4.518 -10.425 1.00 0.00 O ATOM 0 H TYR A 41 9.326 -0.482 -10.761 1.00 0.00 H new ATOM 0 HA TYR A 41 8.763 -0.385 -13.562 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.686 1.040 -11.070 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.859 0.968 -12.613 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.181 -1.337 -13.529 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.419 -0.646 -9.471 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.171 -3.505 -12.862 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.466 -2.840 -8.804 1.00 0.00 H new ATOM 0 HH TYR A 41 5.551 -4.776 -9.542 1.00 0.00 H new ATOM 641 N SER A 42 10.193 2.221 -12.188 1.00 0.00 N ATOM 642 CA SER A 42 10.615 3.602 -12.373 1.00 0.00 C ATOM 643 C SER A 42 11.741 3.747 -13.386 1.00 0.00 C ATOM 644 O SER A 42 11.728 4.667 -14.201 1.00 0.00 O ATOM 645 CB SER A 42 11.060 4.169 -11.025 1.00 0.00 C ATOM 646 OG SER A 42 10.071 3.860 -10.080 1.00 0.00 O ATOM 0 H SER A 42 10.521 1.804 -11.317 1.00 0.00 H new ATOM 0 HA SER A 42 9.763 4.156 -12.767 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.018 3.741 -10.729 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.200 5.248 -11.092 1.00 0.00 H new ATOM 0 HG SER A 42 9.741 2.951 -10.237 1.00 0.00 H new ATOM 652 N ASN A 43 12.718 2.842 -13.345 1.00 0.00 N ATOM 653 CA ASN A 43 13.845 2.861 -14.262 1.00 0.00 C ATOM 654 C ASN A 43 13.357 2.424 -15.648 1.00 0.00 C ATOM 655 O ASN A 43 13.640 3.083 -16.649 1.00 0.00 O ATOM 656 CB ASN A 43 14.916 1.917 -13.719 1.00 0.00 C ATOM 657 CG ASN A 43 15.552 2.466 -12.446 1.00 0.00 C ATOM 658 OD1 ASN A 43 14.897 3.122 -11.643 1.00 0.00 O ATOM 659 ND2 ASN A 43 16.842 2.195 -12.256 1.00 0.00 N ATOM 0 H ASN A 43 12.746 2.076 -12.672 1.00 0.00 H new ATOM 0 HA ASN A 43 14.273 3.859 -14.352 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.473 0.942 -13.515 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.686 1.765 -14.475 1.00 0.00 H new ATOM 0 HD21 ASN A 43 17.317 2.536 -11.420 1.00 0.00 H new ATOM 0 HD22 ASN A 43 17.355 1.646 -12.946 1.00 0.00 H new ATOM 666 N LYS A 44 12.617 1.308 -15.701 1.00 0.00 N ATOM 667 CA LYS A 44 11.978 0.792 -16.914 1.00 0.00 C ATOM 668 C LYS A 44 11.036 1.854 -17.479 1.00 0.00 C ATOM 669 O LYS A 44 10.900 1.961 -18.693 1.00 0.00 O ATOM 670 CB LYS A 44 11.215 -0.471 -16.510 1.00 0.00 C ATOM 671 CG LYS A 44 10.476 -1.109 -17.691 1.00 0.00 C ATOM 672 CD LYS A 44 9.843 -2.424 -17.236 1.00 0.00 C ATOM 673 CE LYS A 44 9.103 -3.083 -18.400 1.00 0.00 C ATOM 674 NZ LYS A 44 8.519 -4.372 -17.990 1.00 0.00 N ATOM 0 H LYS A 44 12.444 0.727 -14.881 1.00 0.00 H new ATOM 0 HA LYS A 44 12.707 0.554 -17.689 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.913 -1.194 -16.088 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.498 -0.224 -15.727 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.708 -0.431 -18.064 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.168 -1.290 -18.514 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.614 -3.096 -16.858 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.152 -2.238 -16.414 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.315 -2.420 -18.757 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.790 -3.239 -19.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.858 -4.702 -18.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.277 -5.073 -17.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.009 -4.252 -17.092 1.00 0.00 H new ATOM 688 N ALA A 45 10.383 2.641 -16.617 1.00 0.00 N ATOM 689 CA ALA A 45 9.407 3.626 -17.068 1.00 0.00 C ATOM 690 C ALA A 45 10.078 4.842 -17.690 1.00 0.00 C ATOM 691 O ALA A 45 9.648 5.292 -18.748 1.00 0.00 O ATOM 692 CB ALA A 45 8.534 4.087 -15.900 1.00 0.00 C ATOM 0 H ALA A 45 10.516 2.612 -15.606 1.00 0.00 H new ATOM 0 HA ALA A 45 8.792 3.141 -17.826 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.811 4.822 -16.254 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.005 3.231 -15.481 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.162 4.537 -15.132 1.00 0.00 H new ATOM 698 N MET A 46 11.121 5.383 -17.055 1.00 0.00 N ATOM 699 CA MET A 46 11.783 6.560 -17.596 1.00 0.00 C ATOM 700 C MET A 46 12.370 6.248 -18.970 1.00 0.00 C ATOM 701 O MET A 46 12.443 7.125 -19.829 1.00 0.00 O ATOM 702 CB MET A 46 12.882 7.014 -16.639 1.00 0.00 C ATOM 703 CG MET A 46 13.475 8.363 -17.053 1.00 0.00 C ATOM 704 SD MET A 46 12.415 9.819 -16.835 1.00 0.00 S ATOM 705 CE MET A 46 11.434 9.819 -18.360 1.00 0.00 C ATOM 0 H MET A 46 11.515 5.029 -16.183 1.00 0.00 H new ATOM 0 HA MET A 46 11.054 7.363 -17.707 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.477 7.089 -15.630 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.672 6.263 -16.610 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.391 8.521 -16.484 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.758 8.302 -18.104 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.211 10.846 -18.649 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.998 9.332 -19.156 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.502 9.279 -18.193 1.00 0.00 H new ATOM 715 N ALA A 47 12.787 4.998 -19.172 1.00 0.00 N ATOM 716 CA ALA A 47 13.304 4.556 -20.450 1.00 0.00 C ATOM 717 C ALA A 47 12.181 4.457 -21.480 1.00 0.00 C ATOM 718 O ALA A 47 12.405 4.755 -22.651 1.00 0.00 O ATOM 719 CB ALA A 47 13.970 3.205 -20.246 1.00 0.00 C ATOM 0 H ALA A 47 12.773 4.274 -18.454 1.00 0.00 H new ATOM 0 HA ALA A 47 14.030 5.275 -20.830 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.369 2.849 -21.196 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.782 3.305 -19.526 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.237 2.491 -19.870 1.00 0.00 H new ATOM 725 N LEU A 48 10.975 4.042 -21.072 1.00 0.00 N ATOM 726 CA LEU A 48 9.850 3.937 -21.991 1.00 0.00 C ATOM 727 C LEU A 48 9.458 5.300 -22.554 1.00 0.00 C ATOM 728 O LEU A 48 8.968 5.364 -23.677 1.00 0.00 O ATOM 729 CB LEU A 48 8.654 3.287 -21.291 1.00 0.00 C ATOM 730 CG LEU A 48 8.859 1.785 -21.098 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.756 1.245 -20.192 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.809 1.035 -22.423 1.00 0.00 C ATOM 0 H LEU A 48 10.760 3.775 -20.111 1.00 0.00 H new ATOM 0 HA LEU A 48 10.159 3.309 -22.827 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.499 3.760 -20.322 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.752 3.459 -21.878 1.00 0.00 H new ATOM 0 HG LEU A 48 9.843 1.634 -20.653 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.895 0.173 -20.049 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.799 1.749 -19.226 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.785 1.427 -20.653 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.959 -0.030 -22.244 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.838 1.191 -22.893 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.594 1.406 -23.081 1.00 0.00 H new ATOM 744 N ILE A 49 9.663 6.394 -21.816 1.00 0.00 N ATOM 745 CA ILE A 49 9.412 7.726 -22.354 1.00 0.00 C ATOM 746 C ILE A 49 10.446 8.021 -23.428 1.00 0.00 C ATOM 747 O ILE A 49 10.106 8.493 -24.512 1.00 0.00 O ATOM 748 CB ILE A 49 9.547 8.760 -21.223 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.258 8.909 -20.412 1.00 0.00 C ATOM 750 CG2 ILE A 49 9.917 10.133 -21.788 1.00 0.00 C ATOM 751 CD1 ILE A 49 8.049 7.737 -19.460 1.00 0.00 C ATOM 0 H ILE A 49 9.999 6.381 -20.853 1.00 0.00 H new ATOM 0 HA ILE A 49 8.409 7.776 -22.778 1.00 0.00 H new ATOM 0 HB ILE A 49 10.334 8.391 -20.566 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.292 9.838 -19.843 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.408 8.982 -21.091 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.008 10.850 -20.972 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.867 10.064 -22.318 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.140 10.464 -22.477 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.123 7.881 -18.903 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.988 6.811 -20.031 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.886 7.680 -18.764 1.00 0.00 H new ATOM 763 N LYS A 50 11.711 7.739 -23.121 1.00 0.00 N ATOM 764 CA LYS A 50 12.801 7.892 -24.055 1.00 0.00 C ATOM 765 C LYS A 50 12.695 6.914 -25.235 1.00 0.00 C ATOM 766 O LYS A 50 13.463 7.013 -26.191 1.00 0.00 O ATOM 767 CB LYS A 50 14.088 7.700 -23.269 1.00 0.00 C ATOM 768 CG LYS A 50 14.870 9.009 -23.230 1.00 0.00 C ATOM 769 CD LYS A 50 14.141 10.075 -22.419 1.00 0.00 C ATOM 770 CE LYS A 50 14.221 9.749 -20.932 1.00 0.00 C ATOM 771 NZ LYS A 50 13.958 10.952 -20.123 1.00 0.00 N ATOM 0 H LYS A 50 12.000 7.395 -22.205 1.00 0.00 H new ATOM 0 HA LYS A 50 12.775 8.884 -24.507 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.860 7.372 -22.255 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.693 6.918 -23.729 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.855 8.832 -22.798 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.028 9.369 -24.246 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.583 11.053 -22.609 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.098 10.131 -22.731 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.497 8.972 -20.685 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.208 9.352 -20.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.017 10.711 -19.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.664 11.682 -20.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.007 11.314 -20.338 1.00 0.00 H new ATOM 785 N LEU A 51 11.748 5.973 -25.177 1.00 0.00 N ATOM 786 CA LEU A 51 11.436 5.046 -26.252 1.00 0.00 C ATOM 787 C LEU A 51 10.108 5.464 -26.888 1.00 0.00 C ATOM 788 O LEU A 51 9.739 4.970 -27.948 1.00 0.00 O ATOM 789 CB LEU A 51 11.328 3.642 -25.668 1.00 0.00 C ATOM 790 CG LEU A 51 12.686 3.060 -25.261 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.473 1.763 -24.478 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.550 2.744 -26.479 1.00 0.00 C ATOM 0 H LEU A 51 11.163 5.837 -24.352 1.00 0.00 H new ATOM 0 HA LEU A 51 12.216 5.057 -27.014 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.673 3.665 -24.797 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.861 2.984 -26.401 1.00 0.00 H new ATOM 0 HG LEU A 51 13.194 3.807 -24.651 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.439 1.350 -24.189 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.885 1.970 -23.584 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.943 1.044 -25.102 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.505 2.333 -26.151 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.039 2.016 -27.109 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.724 3.657 -27.048 1.00 0.00 H new ATOM 804 N GLY A 52 9.402 6.383 -26.221 1.00 0.00 N ATOM 805 CA GLY A 52 8.115 6.910 -26.638 1.00 0.00 C ATOM 806 C GLY A 52 7.013 5.868 -26.491 1.00 0.00 C ATOM 807 O GLY A 52 5.933 6.001 -27.063 1.00 0.00 O ATOM 0 H GLY A 52 9.730 6.790 -25.345 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.869 7.788 -26.041 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.173 7.236 -27.676 1.00 0.00 H new ATOM 811 N GLU A 53 7.304 4.830 -25.710 1.00 0.00 N ATOM 812 CA GLU A 53 6.387 3.768 -25.338 1.00 0.00 C ATOM 813 C GLU A 53 5.664 4.183 -24.079 1.00 0.00 C ATOM 814 O GLU A 53 5.449 3.408 -23.150 1.00 0.00 O ATOM 815 CB GLU A 53 7.175 2.470 -25.197 1.00 0.00 C ATOM 816 CG GLU A 53 7.816 2.091 -26.535 1.00 0.00 C ATOM 817 CD GLU A 53 6.785 1.515 -27.500 1.00 0.00 C ATOM 818 OE1 GLU A 53 6.493 0.305 -27.380 1.00 0.00 O ATOM 819 OE2 GLU A 53 6.296 2.284 -28.355 1.00 0.00 O ATOM 0 H GLU A 53 8.231 4.706 -25.303 1.00 0.00 H new ATOM 0 HA GLU A 53 5.627 3.592 -26.099 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.947 2.586 -24.436 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.515 1.670 -24.862 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.282 2.970 -26.980 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.608 1.361 -26.367 1.00 0.00 H new ATOM 826 N TYR A 54 5.296 5.462 -24.099 1.00 0.00 N ATOM 827 CA TYR A 54 4.498 6.119 -23.103 1.00 0.00 C ATOM 828 C TYR A 54 3.318 5.256 -22.673 1.00 0.00 C ATOM 829 O TYR A 54 2.980 5.226 -21.495 1.00 0.00 O ATOM 830 CB TYR A 54 3.951 7.365 -23.770 1.00 0.00 C ATOM 831 CG TYR A 54 4.942 8.311 -24.407 1.00 0.00 C ATOM 832 CD1 TYR A 54 5.967 8.898 -23.658 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.829 8.590 -25.776 1.00 0.00 C ATOM 834 CE1 TYR A 54 6.862 9.789 -24.271 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.728 9.466 -26.399 1.00 0.00 C ATOM 836 CZ TYR A 54 6.745 10.079 -25.643 1.00 0.00 C ATOM 837 OH TYR A 54 7.619 10.941 -26.238 1.00 0.00 O ATOM 0 H TYR A 54 5.568 6.089 -24.856 1.00 0.00 H new ATOM 0 HA TYR A 54 5.100 6.329 -22.219 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.244 7.052 -24.538 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.385 7.924 -23.025 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.070 8.666 -22.608 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.044 8.127 -26.355 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.643 10.254 -23.688 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.641 9.670 -27.456 1.00 0.00 H new ATOM 0 HH TYR A 54 7.397 11.028 -27.188 1.00 0.00 H new ATOM 847 N THR A 55 2.685 4.550 -23.613 1.00 0.00 N ATOM 848 CA THR A 55 1.501 3.761 -23.302 1.00 0.00 C ATOM 849 C THR A 55 1.795 2.797 -22.167 1.00 0.00 C ATOM 850 O THR A 55 0.962 2.578 -21.294 1.00 0.00 O ATOM 851 CB THR A 55 1.049 2.946 -24.510 1.00 0.00 C ATOM 852 OG1 THR A 55 1.278 3.630 -25.718 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.436 2.656 -24.348 1.00 0.00 C ATOM 0 H THR A 55 2.974 4.511 -24.590 1.00 0.00 H new ATOM 0 HA THR A 55 0.713 4.457 -23.016 1.00 0.00 H new ATOM 0 HB THR A 55 1.625 2.022 -24.554 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.978 3.077 -26.469 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.788 2.073 -25.199 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.598 2.092 -23.430 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.987 3.595 -24.299 1.00 0.00 H new ATOM 861 N GLN A 56 3.000 2.225 -22.198 1.00 0.00 N ATOM 862 CA GLN A 56 3.455 1.278 -21.202 1.00 0.00 C ATOM 863 C GLN A 56 3.994 2.015 -19.983 1.00 0.00 C ATOM 864 O GLN A 56 3.790 1.585 -18.851 1.00 0.00 O ATOM 865 CB GLN A 56 4.565 0.433 -21.828 1.00 0.00 C ATOM 866 CG GLN A 56 4.113 -0.206 -23.140 1.00 0.00 C ATOM 867 CD GLN A 56 2.847 -1.027 -22.964 1.00 0.00 C ATOM 868 OE1 GLN A 56 2.895 -2.208 -22.631 1.00 0.00 O ATOM 869 NE2 GLN A 56 1.700 -0.395 -23.185 1.00 0.00 N ATOM 0 H GLN A 56 3.688 2.414 -22.927 1.00 0.00 H new ATOM 0 HA GLN A 56 2.628 0.645 -20.881 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.440 1.057 -22.009 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.868 -0.346 -21.129 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.940 0.573 -23.882 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.908 -0.844 -23.526 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.704 0.587 -23.460 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.815 -0.892 -23.079 1.00 0.00 H new ATOM 878 N ALA A 57 4.679 3.131 -20.228 1.00 0.00 N ATOM 879 CA ALA A 57 5.234 3.973 -19.186 1.00 0.00 C ATOM 880 C ALA A 57 4.174 4.417 -18.185 1.00 0.00 C ATOM 881 O ALA A 57 4.419 4.431 -16.981 1.00 0.00 O ATOM 882 CB ALA A 57 5.835 5.201 -19.863 1.00 0.00 C ATOM 0 H ALA A 57 4.863 3.475 -21.171 1.00 0.00 H new ATOM 0 HA ALA A 57 5.984 3.408 -18.632 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.263 5.860 -19.108 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.615 4.889 -20.557 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.056 5.733 -20.409 1.00 0.00 H new ATOM 888 N ILE A 58 2.992 4.782 -18.685 1.00 0.00 N ATOM 889 CA ILE A 58 1.878 5.220 -17.857 1.00 0.00 C ATOM 890 C ILE A 58 1.470 4.097 -16.911 1.00 0.00 C ATOM 891 O ILE A 58 1.088 4.363 -15.772 1.00 0.00 O ATOM 892 CB ILE A 58 0.714 5.584 -18.787 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.109 6.737 -19.711 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.545 6.018 -18.029 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.323 6.645 -21.020 1.00 0.00 C ATOM 0 H ILE A 58 2.784 4.780 -19.684 1.00 0.00 H new ATOM 0 HA ILE A 58 2.160 6.085 -17.258 1.00 0.00 H new ATOM 0 HB ILE A 58 0.492 4.677 -19.350 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.910 7.691 -19.223 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.179 6.701 -19.915 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.333 6.262 -18.742 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.879 5.206 -17.383 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.320 6.895 -17.422 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.608 7.469 -21.674 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.544 5.698 -21.512 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.745 6.703 -20.808 1.00 0.00 H new ATOM 907 N GLN A 59 1.551 2.840 -17.368 1.00 0.00 N ATOM 908 CA GLN A 59 1.201 1.695 -16.557 1.00 0.00 C ATOM 909 C GLN A 59 2.263 1.414 -15.499 1.00 0.00 C ATOM 910 O GLN A 59 1.931 1.012 -14.389 1.00 0.00 O ATOM 911 CB GLN A 59 1.072 0.474 -17.456 1.00 0.00 C ATOM 912 CG GLN A 59 0.081 0.675 -18.593 1.00 0.00 C ATOM 913 CD GLN A 59 -1.182 1.360 -18.116 1.00 0.00 C ATOM 914 OE1 GLN A 59 -1.863 0.898 -17.205 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.500 2.483 -18.739 1.00 0.00 N ATOM 0 H GLN A 59 1.862 2.602 -18.310 1.00 0.00 H new ATOM 0 HA GLN A 59 0.259 1.910 -16.052 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.050 0.231 -17.872 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.760 -0.381 -16.856 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.544 1.271 -19.379 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.171 -0.290 -19.032 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.908 2.834 -19.492 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.337 2.998 -18.467 1.00 0.00 H new ATOM 924 N MET A 60 3.534 1.633 -15.845 1.00 0.00 N ATOM 925 CA MET A 60 4.636 1.404 -14.917 1.00 0.00 C ATOM 926 C MET A 60 4.554 2.361 -13.738 1.00 0.00 C ATOM 927 O MET A 60 4.736 1.961 -12.591 1.00 0.00 O ATOM 928 CB MET A 60 5.979 1.631 -15.615 1.00 0.00 C ATOM 929 CG MET A 60 6.273 0.698 -16.791 1.00 0.00 C ATOM 930 SD MET A 60 6.146 -1.074 -16.454 1.00 0.00 S ATOM 931 CE MET A 60 4.437 -1.324 -16.992 1.00 0.00 C ATOM 0 H MET A 60 3.822 1.969 -16.764 1.00 0.00 H new ATOM 0 HA MET A 60 4.561 0.374 -14.568 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.014 2.660 -15.972 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.775 1.522 -14.879 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.587 0.943 -17.602 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.280 0.907 -17.151 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.277 -2.378 -17.218 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.757 -1.016 -16.198 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.246 -0.728 -17.885 1.00 0.00 H new ATOM 941 N CYS A 61 4.280 3.637 -14.008 1.00 0.00 N ATOM 942 CA CYS A 61 4.328 4.652 -12.977 1.00 0.00 C ATOM 943 C CYS A 61 3.226 4.426 -11.943 1.00 0.00 C ATOM 944 O CYS A 61 3.489 4.305 -10.751 1.00 0.00 O ATOM 945 CB CYS A 61 4.183 6.014 -13.642 1.00 0.00 C ATOM 946 SG CYS A 61 5.593 6.290 -14.749 1.00 0.00 S ATOM 0 H CYS A 61 4.024 3.984 -14.932 1.00 0.00 H new ATOM 0 HA CYS A 61 5.280 4.601 -12.448 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.250 6.060 -14.204 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.140 6.798 -12.886 1.00 0.00 H new ATOM 0 HG CYS A 61 5.411 5.633 -15.856 1.00 0.00 H new ATOM 952 N GLN A 62 1.974 4.362 -12.394 1.00 0.00 N ATOM 953 CA GLN A 62 0.864 4.041 -11.506 1.00 0.00 C ATOM 954 C GLN A 62 1.054 2.717 -10.747 1.00 0.00 C ATOM 955 O GLN A 62 0.496 2.555 -9.662 1.00 0.00 O ATOM 956 CB GLN A 62 -0.458 4.104 -12.272 1.00 0.00 C ATOM 957 CG GLN A 62 -0.515 3.170 -13.480 1.00 0.00 C ATOM 958 CD GLN A 62 -1.394 1.960 -13.194 1.00 0.00 C ATOM 959 OE1 GLN A 62 -2.575 1.945 -13.529 1.00 0.00 O ATOM 960 NE2 GLN A 62 -0.826 0.938 -12.567 1.00 0.00 N ATOM 0 H GLN A 62 1.706 4.528 -13.364 1.00 0.00 H new ATOM 0 HA GLN A 62 0.838 4.800 -10.725 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.273 3.855 -11.593 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.625 5.128 -12.608 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.903 3.710 -14.344 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.492 2.840 -13.737 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.158 0.985 -12.303 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.374 0.106 -12.349 1.00 0.00 H new ATOM 969 N GLN A 63 1.829 1.771 -11.291 1.00 0.00 N ATOM 970 CA GLN A 63 2.223 0.561 -10.575 1.00 0.00 C ATOM 971 C GLN A 63 3.192 0.890 -9.452 1.00 0.00 C ATOM 972 O GLN A 63 3.002 0.423 -8.337 1.00 0.00 O ATOM 973 CB GLN A 63 2.935 -0.374 -11.554 1.00 0.00 C ATOM 974 CG GLN A 63 2.283 -1.747 -11.668 1.00 0.00 C ATOM 975 CD GLN A 63 0.853 -1.679 -12.180 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.090 -1.593 -11.396 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.671 -1.713 -13.494 1.00 0.00 N ATOM 0 H GLN A 63 2.198 1.827 -12.240 1.00 0.00 H new ATOM 0 HA GLN A 63 1.330 0.096 -10.156 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.956 0.092 -12.539 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.971 -0.498 -11.238 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.875 -2.371 -12.338 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.292 -2.231 -10.691 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.474 -1.785 -14.118 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.272 -1.667 -13.880 1.00 0.00 H new ATOM 986 N GLY A 64 4.231 1.685 -9.719 1.00 0.00 N ATOM 987 CA GLY A 64 5.186 2.054 -8.692 1.00 0.00 C ATOM 988 C GLY A 64 4.495 2.530 -7.409 1.00 0.00 C ATOM 989 O GLY A 64 4.967 2.241 -6.313 1.00 0.00 O ATOM 0 H GLY A 64 4.425 2.081 -10.639 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.823 1.199 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.836 2.844 -9.068 1.00 0.00 H new ATOM 993 N LEU A 65 3.374 3.254 -7.545 1.00 0.00 N ATOM 994 CA LEU A 65 2.612 3.809 -6.430 1.00 0.00 C ATOM 995 C LEU A 65 1.981 2.747 -5.529 1.00 0.00 C ATOM 996 O LEU A 65 1.415 3.082 -4.489 1.00 0.00 O ATOM 997 CB LEU A 65 1.481 4.672 -6.991 1.00 0.00 C ATOM 998 CG LEU A 65 1.977 5.991 -7.580 1.00 0.00 C ATOM 999 CD1 LEU A 65 0.828 6.621 -8.359 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.413 6.950 -6.471 1.00 0.00 C ATOM 0 H LEU A 65 2.968 3.471 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 65 3.317 4.380 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.951 4.112 -7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.763 4.881 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 65 2.833 5.800 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.156 7.566 -8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.516 5.947 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.011 6.801 -7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.763 7.883 -6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.568 7.154 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.220 6.497 -5.895 1.00 0.00 H new ATOM 1012 N ARG A 66 2.060 1.471 -5.905 1.00 0.00 N ATOM 1013 CA ARG A 66 1.435 0.380 -5.185 1.00 0.00 C ATOM 1014 C ARG A 66 2.347 -0.042 -4.050 1.00 0.00 C ATOM 1015 O ARG A 66 1.939 -0.739 -3.124 1.00 0.00 O ATOM 1016 CB ARG A 66 1.311 -0.761 -6.188 1.00 0.00 C ATOM 1017 CG ARG A 66 0.347 -0.361 -7.291 1.00 0.00 C ATOM 1018 CD ARG A 66 0.259 -1.504 -8.290 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.375 -2.692 -7.699 1.00 0.00 N ATOM 1020 CZ ARG A 66 -1.032 -3.628 -8.392 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.155 -3.543 -9.714 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -1.573 -4.664 -7.762 1.00 0.00 N ATOM 0 H ARG A 66 2.571 1.169 -6.734 1.00 0.00 H new ATOM 0 HA ARG A 66 0.466 0.659 -4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.288 -0.996 -6.611 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.955 -1.662 -5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.637 -0.145 -6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.691 0.548 -7.784 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.311 -1.183 -9.162 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.259 -1.760 -8.639 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.309 -2.810 -6.688 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.745 -2.755 -10.215 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.660 -4.266 -10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.488 -4.746 -6.749 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.074 -5.378 -8.291 1.00 0.00 H new ATOM 1036 N TYR A 67 3.592 0.406 -4.163 1.00 0.00 N ATOM 1037 CA TYR A 67 4.677 0.009 -3.293 1.00 0.00 C ATOM 1038 C TYR A 67 5.324 1.161 -2.527 1.00 0.00 C ATOM 1039 O TYR A 67 6.153 0.910 -1.652 1.00 0.00 O ATOM 1040 CB TYR A 67 5.689 -0.659 -4.207 1.00 0.00 C ATOM 1041 CG TYR A 67 5.039 -1.536 -5.245 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.393 -2.719 -4.866 1.00 0.00 C ATOM 1043 CD2 TYR A 67 5.058 -1.134 -6.588 1.00 0.00 C ATOM 1044 CE1 TYR A 67 3.775 -3.527 -5.830 1.00 0.00 C ATOM 1045 CE2 TYR A 67 4.395 -1.911 -7.547 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.762 -3.115 -7.177 1.00 0.00 C ATOM 1047 OH TYR A 67 3.135 -3.874 -8.118 1.00 0.00 O ATOM 0 H TYR A 67 3.875 1.072 -4.882 1.00 0.00 H new ATOM 0 HA TYR A 67 4.298 -0.648 -2.510 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.285 0.106 -4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.375 -1.258 -3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.371 -3.010 -3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.579 -0.234 -6.880 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.312 -4.459 -5.542 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.369 -1.585 -8.576 1.00 0.00 H new ATOM 0 HH TYR A 67 3.767 -4.096 -8.833 1.00 0.00 H new ATOM 1057 N THR A 68 4.971 2.412 -2.833 1.00 0.00 N ATOM 1058 CA THR A 68 5.544 3.590 -2.187 1.00 0.00 C ATOM 1059 C THR A 68 4.963 3.826 -0.790 1.00 0.00 C ATOM 1060 O THR A 68 4.869 4.965 -0.336 1.00 0.00 O ATOM 1061 CB THR A 68 5.354 4.817 -3.077 1.00 0.00 C ATOM 1062 OG1 THR A 68 3.991 4.985 -3.399 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.148 4.658 -4.372 1.00 0.00 C ATOM 0 H THR A 68 4.273 2.635 -3.543 1.00 0.00 H new ATOM 0 HA THR A 68 6.611 3.410 -2.053 1.00 0.00 H new ATOM 0 HB THR A 68 5.711 5.690 -2.530 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.884 5.776 -3.968 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.004 5.539 -4.997 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.207 4.548 -4.138 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.800 3.773 -4.906 1.00 0.00 H new ATOM 1071 N SER A 69 4.574 2.743 -0.108 1.00 0.00 N ATOM 1072 CA SER A 69 3.963 2.751 1.217 1.00 0.00 C ATOM 1073 C SER A 69 4.887 3.259 2.320 1.00 0.00 C ATOM 1074 O SER A 69 4.454 3.416 3.460 1.00 0.00 O ATOM 1075 CB SER A 69 3.577 1.318 1.550 1.00 0.00 C ATOM 1076 OG SER A 69 4.714 0.482 1.493 1.00 0.00 O ATOM 0 H SER A 69 4.683 1.801 -0.483 1.00 0.00 H new ATOM 0 HA SER A 69 3.111 3.430 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.134 1.275 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.821 0.965 0.849 1.00 0.00 H new ATOM 0 HG SER A 69 4.455 -0.438 1.711 1.00 0.00 H new ATOM 1082 N THR A 70 6.150 3.511 1.988 1.00 0.00 N ATOM 1083 CA THR A 70 7.169 3.875 2.965 1.00 0.00 C ATOM 1084 C THR A 70 8.142 4.915 2.407 1.00 0.00 C ATOM 1085 O THR A 70 8.252 5.097 1.195 1.00 0.00 O ATOM 1086 CB THR A 70 7.891 2.598 3.415 1.00 0.00 C ATOM 1087 OG1 THR A 70 9.092 2.916 4.082 1.00 0.00 O ATOM 1088 CG2 THR A 70 8.184 1.690 2.218 1.00 0.00 C ATOM 0 H THR A 70 6.496 3.468 1.029 1.00 0.00 H new ATOM 0 HA THR A 70 6.695 4.343 3.828 1.00 0.00 H new ATOM 0 HB THR A 70 7.235 2.066 4.105 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.538 2.090 4.363 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.696 0.791 2.560 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.248 1.412 1.734 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.817 2.219 1.506 1.00 0.00 H new ATOM 1096 N ALA A 71 8.846 5.606 3.307 1.00 0.00 N ATOM 1097 CA ALA A 71 9.712 6.729 2.965 1.00 0.00 C ATOM 1098 C ALA A 71 10.983 6.320 2.216 1.00 0.00 C ATOM 1099 O ALA A 71 11.704 7.189 1.738 1.00 0.00 O ATOM 1100 CB ALA A 71 10.068 7.490 4.241 1.00 0.00 C ATOM 0 H ALA A 71 8.828 5.396 4.305 1.00 0.00 H new ATOM 0 HA ALA A 71 9.156 7.367 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.715 8.331 3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.156 7.859 4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.587 6.823 4.930 1.00 0.00 H new ATOM 1106 N GLU A 72 11.277 5.023 2.098 1.00 0.00 N ATOM 1107 CA GLU A 72 12.363 4.568 1.245 1.00 0.00 C ATOM 1108 C GLU A 72 11.990 4.749 -0.222 1.00 0.00 C ATOM 1109 O GLU A 72 12.852 4.674 -1.092 1.00 0.00 O ATOM 1110 CB GLU A 72 12.660 3.092 1.508 1.00 0.00 C ATOM 1111 CG GLU A 72 11.417 2.222 1.374 1.00 0.00 C ATOM 1112 CD GLU A 72 11.699 0.789 1.821 1.00 0.00 C ATOM 1113 OE1 GLU A 72 11.540 0.517 3.033 1.00 0.00 O ATOM 1114 OE2 GLU A 72 12.076 -0.029 0.951 1.00 0.00 O ATOM 0 H GLU A 72 10.777 4.277 2.582 1.00 0.00 H new ATOM 0 HA GLU A 72 13.249 5.161 1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.421 2.746 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.074 2.979 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.609 2.641 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.078 2.223 0.338 1.00 0.00 H new ATOM 1121 N HIS A 73 10.704 4.986 -0.494 1.00 0.00 N ATOM 1122 CA HIS A 73 10.170 5.011 -1.841 1.00 0.00 C ATOM 1123 C HIS A 73 9.522 6.348 -2.176 1.00 0.00 C ATOM 1124 O HIS A 73 8.984 6.510 -3.269 1.00 0.00 O ATOM 1125 CB HIS A 73 9.175 3.862 -1.988 1.00 0.00 C ATOM 1126 CG HIS A 73 9.794 2.485 -1.985 1.00 0.00 C ATOM 1127 ND1 HIS A 73 9.080 1.292 -1.860 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.123 2.201 -2.106 1.00 0.00 C ATOM 1129 CE1 HIS A 73 10.003 0.319 -1.916 1.00 0.00 C ATOM 1130 NE2 HIS A 73 11.236 0.830 -2.065 1.00 0.00 N ATOM 0 H HIS A 73 10.005 5.166 0.227 1.00 0.00 H new ATOM 0 HA HIS A 73 10.989 4.886 -2.550 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.450 3.921 -1.176 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.623 3.995 -2.918 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.072 1.183 -1.750 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.928 2.913 -2.213 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.783 -0.736 -1.850 1.00 0.00 H new ATOM 1138 N VAL A 74 9.567 7.317 -1.257 1.00 0.00 N ATOM 1139 CA VAL A 74 9.017 8.645 -1.510 1.00 0.00 C ATOM 1140 C VAL A 74 9.714 9.297 -2.701 1.00 0.00 C ATOM 1141 O VAL A 74 9.113 10.074 -3.441 1.00 0.00 O ATOM 1142 CB VAL A 74 9.182 9.510 -0.262 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.652 9.759 0.082 1.00 0.00 C ATOM 1144 CG2 VAL A 74 8.528 10.863 -0.505 1.00 0.00 C ATOM 0 H VAL A 74 9.980 7.203 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 74 7.957 8.551 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 74 8.716 8.976 0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.716 10.379 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.150 8.806 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.139 10.270 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.642 11.487 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.005 11.351 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.468 10.722 -0.716 1.00 0.00 H new ATOM 1154 N ALA A 75 10.995 8.970 -2.876 1.00 0.00 N ATOM 1155 CA ALA A 75 11.809 9.475 -3.963 1.00 0.00 C ATOM 1156 C ALA A 75 11.164 9.170 -5.299 1.00 0.00 C ATOM 1157 O ALA A 75 11.138 9.994 -6.210 1.00 0.00 O ATOM 1158 CB ALA A 75 13.145 8.743 -3.917 1.00 0.00 C ATOM 0 H ALA A 75 11.496 8.337 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 75 11.925 10.554 -3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.784 9.101 -4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.631 8.932 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.977 7.672 -4.034 1.00 0.00 H new ATOM 1164 N ILE A 76 10.644 7.947 -5.393 1.00 0.00 N ATOM 1165 CA ILE A 76 10.072 7.409 -6.599 1.00 0.00 C ATOM 1166 C ILE A 76 8.619 7.819 -6.734 1.00 0.00 C ATOM 1167 O ILE A 76 8.117 7.975 -7.843 1.00 0.00 O ATOM 1168 CB ILE A 76 10.161 5.900 -6.495 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.631 5.498 -6.387 1.00 0.00 C ATOM 1170 CG2 ILE A 76 9.481 5.324 -7.725 1.00 0.00 C ATOM 1171 CD1 ILE A 76 12.215 5.088 -7.724 1.00 0.00 C ATOM 0 H ILE A 76 10.614 7.298 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 76 10.608 7.784 -7.471 1.00 0.00 H new ATOM 0 HB ILE A 76 9.661 5.512 -5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.205 6.332 -5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.729 4.673 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.524 4.235 -7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.440 5.646 -7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.991 5.677 -8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.261 4.811 -7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 76 11.660 4.236 -8.117 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.144 5.921 -8.423 1.00 0.00 H new ATOM 1183 N ARG A 77 7.946 7.996 -5.599 1.00 0.00 N ATOM 1184 CA ARG A 77 6.574 8.485 -5.595 1.00 0.00 C ATOM 1185 C ARG A 77 6.517 9.845 -6.278 1.00 0.00 C ATOM 1186 O ARG A 77 5.469 10.264 -6.762 1.00 0.00 O ATOM 1187 CB ARG A 77 6.060 8.526 -4.154 1.00 0.00 C ATOM 1188 CG ARG A 77 4.625 9.054 -4.090 1.00 0.00 C ATOM 1189 CD ARG A 77 4.617 10.547 -3.756 1.00 0.00 C ATOM 1190 NE ARG A 77 3.249 11.074 -3.735 1.00 0.00 N ATOM 1191 CZ ARG A 77 2.944 12.363 -3.553 1.00 0.00 C ATOM 1192 NH1 ARG A 77 3.898 13.271 -3.361 1.00 0.00 N ATOM 1193 NH2 ARG A 77 1.673 12.752 -3.564 1.00 0.00 N ATOM 0 H ARG A 77 8.330 7.808 -4.673 1.00 0.00 H new ATOM 0 HA ARG A 77 5.922 7.816 -6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.101 7.526 -3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.710 9.160 -3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.127 8.886 -5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.062 8.504 -3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.088 10.709 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.209 11.091 -4.492 1.00 0.00 H new ATOM 0 HE ARG A 77 2.481 10.416 -3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.878 12.987 -3.351 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.649 14.251 -3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.931 12.067 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.439 13.735 -3.425 1.00 0.00 H new ATOM 1207 N SER A 78 7.661 10.524 -6.316 1.00 0.00 N ATOM 1208 CA SER A 78 7.820 11.808 -6.978 1.00 0.00 C ATOM 1209 C SER A 78 8.087 11.633 -8.469 1.00 0.00 C ATOM 1210 O SER A 78 7.889 12.565 -9.244 1.00 0.00 O ATOM 1211 CB SER A 78 9.026 12.497 -6.332 1.00 0.00 C ATOM 1212 OG SER A 78 9.085 13.856 -6.704 1.00 0.00 O ATOM 0 H SER A 78 8.518 10.187 -5.878 1.00 0.00 H new ATOM 0 HA SER A 78 6.908 12.395 -6.870 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.959 12.415 -5.247 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.944 11.992 -6.634 1.00 0.00 H new ATOM 0 HG SER A 78 9.861 14.278 -6.280 1.00 0.00 H new ATOM 1218 N LYS A 79 8.533 10.442 -8.882 1.00 0.00 N ATOM 1219 CA LYS A 79 8.873 10.176 -10.270 1.00 0.00 C ATOM 1220 C LYS A 79 7.698 9.527 -10.996 1.00 0.00 C ATOM 1221 O LYS A 79 7.467 9.809 -12.167 1.00 0.00 O ATOM 1222 CB LYS A 79 10.114 9.279 -10.305 1.00 0.00 C ATOM 1223 CG LYS A 79 11.283 9.982 -9.616 1.00 0.00 C ATOM 1224 CD LYS A 79 12.513 9.085 -9.500 1.00 0.00 C ATOM 1225 CE LYS A 79 13.611 9.914 -8.843 1.00 0.00 C ATOM 1226 NZ LYS A 79 14.859 9.147 -8.685 1.00 0.00 N ATOM 0 H LYS A 79 8.666 9.643 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 79 9.092 11.111 -10.785 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.903 8.332 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.376 9.046 -11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.543 10.881 -10.175 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.975 10.303 -8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.290 8.200 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.830 8.736 -10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.804 10.802 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.271 10.259 -7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.546 9.710 -8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.660 8.262 -8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.252 8.927 -9.622 1.00 0.00 H new ATOM 1240 N LEU A 80 6.952 8.660 -10.308 1.00 0.00 N ATOM 1241 CA LEU A 80 5.780 7.982 -10.854 1.00 0.00 C ATOM 1242 C LEU A 80 4.658 8.968 -11.162 1.00 0.00 C ATOM 1243 O LEU A 80 3.619 8.578 -11.675 1.00 0.00 O ATOM 1244 CB LEU A 80 5.273 6.985 -9.819 1.00 0.00 C ATOM 1245 CG LEU A 80 6.064 5.682 -9.705 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.472 5.699 -10.273 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.040 5.289 -8.231 1.00 0.00 C ATOM 0 H LEU A 80 7.151 8.407 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 80 6.069 7.485 -11.780 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.270 7.472 -8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.238 6.740 -10.056 1.00 0.00 H new ATOM 0 HG LEU A 80 5.581 4.939 -10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.932 4.721 -10.134 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.432 5.934 -11.337 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.064 6.455 -9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.593 4.360 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.501 6.078 -7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.008 5.148 -7.909 1.00 0.00 H new ATOM 1259 N GLN A 81 4.860 10.242 -10.844 1.00 0.00 N ATOM 1260 CA GLN A 81 3.955 11.333 -11.099 1.00 0.00 C ATOM 1261 C GLN A 81 4.459 12.294 -12.178 1.00 0.00 C ATOM 1262 O GLN A 81 3.691 13.114 -12.672 1.00 0.00 O ATOM 1263 CB GLN A 81 3.912 12.043 -9.753 1.00 0.00 C ATOM 1264 CG GLN A 81 2.787 11.540 -8.883 1.00 0.00 C ATOM 1265 CD GLN A 81 2.563 10.049 -9.002 1.00 0.00 C ATOM 1266 OE1 GLN A 81 1.572 9.616 -9.581 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.485 9.263 -8.457 1.00 0.00 N ATOM 0 H GLN A 81 5.712 10.548 -10.374 1.00 0.00 H new ATOM 0 HA GLN A 81 2.991 10.984 -11.468 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.861 11.899 -9.237 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.795 13.115 -9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.002 11.787 -7.843 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.868 12.062 -9.151 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.291 9.673 -7.986 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.387 8.249 -8.509 1.00 0.00 H new ATOM 1276 N TYR A 82 5.736 12.196 -12.541 1.00 0.00 N ATOM 1277 CA TYR A 82 6.324 13.039 -13.574 1.00 0.00 C ATOM 1278 C TYR A 82 6.171 12.405 -14.952 1.00 0.00 C ATOM 1279 O TYR A 82 5.431 12.908 -15.794 1.00 0.00 O ATOM 1280 CB TYR A 82 7.808 13.208 -13.270 1.00 0.00 C ATOM 1281 CG TYR A 82 8.664 13.549 -14.470 1.00 0.00 C ATOM 1282 CD1 TYR A 82 8.560 14.797 -15.095 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.571 12.594 -14.949 1.00 0.00 C ATOM 1284 CE1 TYR A 82 9.378 15.098 -16.198 1.00 0.00 C ATOM 1285 CE2 TYR A 82 10.413 12.894 -16.030 1.00 0.00 C ATOM 1286 CZ TYR A 82 10.312 14.149 -16.662 1.00 0.00 C ATOM 1287 OH TYR A 82 11.117 14.450 -17.715 1.00 0.00 O ATOM 0 H TYR A 82 6.389 11.531 -12.127 1.00 0.00 H new ATOM 0 HA TYR A 82 5.812 14.001 -13.579 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.925 13.993 -12.523 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.181 12.286 -12.825 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.853 15.527 -14.731 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.622 11.621 -14.483 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.291 16.056 -16.690 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.134 12.168 -16.375 1.00 0.00 H new ATOM 0 HH TYR A 82 11.703 13.688 -17.907 1.00 0.00 H new ATOM 1297 N ARG A 83 6.879 11.293 -15.181 1.00 0.00 N ATOM 1298 CA ARG A 83 6.895 10.645 -16.483 1.00 0.00 C ATOM 1299 C ARG A 83 5.604 9.864 -16.695 1.00 0.00 C ATOM 1300 O ARG A 83 5.362 9.336 -17.777 1.00 0.00 O ATOM 1301 CB ARG A 83 8.178 9.835 -16.699 1.00 0.00 C ATOM 1302 CG ARG A 83 8.232 8.498 -15.959 1.00 0.00 C ATOM 1303 CD ARG A 83 8.697 8.675 -14.517 1.00 0.00 C ATOM 1304 NE ARG A 83 10.162 8.617 -14.395 1.00 0.00 N ATOM 1305 CZ ARG A 83 10.801 7.848 -13.511 1.00 0.00 C ATOM 1306 NH1 ARG A 83 10.130 7.000 -12.739 1.00 0.00 N ATOM 1307 NH2 ARG A 83 12.122 7.924 -13.388 1.00 0.00 N ATOM 0 H ARG A 83 7.448 10.827 -14.474 1.00 0.00 H new ATOM 0 HA ARG A 83 6.922 11.403 -17.266 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.296 9.647 -17.766 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.029 10.441 -16.386 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.245 8.035 -15.970 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.908 7.820 -16.480 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.340 9.632 -14.137 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.251 7.899 -13.895 1.00 0.00 H new ATOM 0 HE ARG A 83 10.721 9.197 -15.021 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.115 6.932 -12.818 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.629 6.417 -12.067 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.652 8.572 -13.971 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.606 7.334 -12.711 1.00 0.00 H new ATOM 1321 N LEU A 84 4.776 9.802 -15.649 1.00 0.00 N ATOM 1322 CA LEU A 84 3.417 9.292 -15.751 1.00 0.00 C ATOM 1323 C LEU A 84 2.582 10.266 -16.569 1.00 0.00 C ATOM 1324 O LEU A 84 1.760 9.841 -17.372 1.00 0.00 O ATOM 1325 CB LEU A 84 2.820 9.193 -14.343 1.00 0.00 C ATOM 1326 CG LEU A 84 1.291 9.140 -14.295 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.730 7.965 -15.100 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.864 9.032 -12.832 1.00 0.00 C ATOM 0 H LEU A 84 5.034 10.105 -14.710 1.00 0.00 H new ATOM 0 HA LEU A 84 3.422 8.312 -16.228 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.216 8.301 -13.858 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.158 10.049 -13.759 1.00 0.00 H new ATOM 0 HG LEU A 84 0.892 10.048 -14.747 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.358 7.967 -15.037 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.034 8.060 -16.143 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.115 7.029 -14.694 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.224 8.993 -12.772 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.284 8.126 -12.396 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.226 9.901 -12.282 1.00 0.00 H new ATOM 1340 N GLU A 85 2.790 11.566 -16.361 1.00 0.00 N ATOM 1341 CA GLU A 85 1.916 12.588 -16.912 1.00 0.00 C ATOM 1342 C GLU A 85 2.314 12.965 -18.328 1.00 0.00 C ATOM 1343 O GLU A 85 1.457 13.156 -19.189 1.00 0.00 O ATOM 1344 CB GLU A 85 2.021 13.817 -16.021 1.00 0.00 C ATOM 1345 CG GLU A 85 1.336 13.529 -14.693 1.00 0.00 C ATOM 1346 CD GLU A 85 -0.185 13.449 -14.840 1.00 0.00 C ATOM 1347 OE1 GLU A 85 -0.787 14.475 -15.229 1.00 0.00 O ATOM 1348 OE2 GLU A 85 -0.736 12.360 -14.563 1.00 0.00 O ATOM 0 H GLU A 85 3.565 11.933 -15.809 1.00 0.00 H new ATOM 0 HA GLU A 85 0.897 12.203 -16.947 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.067 14.074 -15.856 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.555 14.674 -16.506 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.711 12.589 -14.287 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.591 14.310 -13.976 1.00 0.00 H new ATOM 1355 N LEU A 86 3.618 13.075 -18.572 1.00 0.00 N ATOM 1356 CA LEU A 86 4.116 13.487 -19.874 1.00 0.00 C ATOM 1357 C LEU A 86 3.859 12.415 -20.929 1.00 0.00 C ATOM 1358 O LEU A 86 3.569 12.734 -22.081 1.00 0.00 O ATOM 1359 CB LEU A 86 5.598 13.841 -19.730 1.00 0.00 C ATOM 1360 CG LEU A 86 6.568 12.660 -19.752 1.00 0.00 C ATOM 1361 CD1 LEU A 86 6.972 12.308 -21.185 1.00 0.00 C ATOM 1362 CD2 LEU A 86 7.830 13.056 -18.988 1.00 0.00 C ATOM 0 H LEU A 86 4.345 12.884 -17.883 1.00 0.00 H new ATOM 0 HA LEU A 86 3.581 14.370 -20.223 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.869 14.525 -20.535 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.734 14.381 -18.793 1.00 0.00 H new ATOM 0 HG LEU A 86 6.078 11.798 -19.298 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.662 11.465 -21.172 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.084 12.041 -21.758 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.458 13.167 -21.648 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.535 12.224 -18.993 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.288 13.922 -19.466 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.570 13.304 -17.959 1.00 0.00 H new ATOM 1374 N ALA A 87 3.963 11.145 -20.534 1.00 0.00 N ATOM 1375 CA ALA A 87 3.755 10.000 -21.381 1.00 0.00 C ATOM 1376 C ALA A 87 2.336 10.011 -21.946 1.00 0.00 C ATOM 1377 O ALA A 87 2.170 10.081 -23.158 1.00 0.00 O ATOM 1378 CB ALA A 87 4.001 8.757 -20.525 1.00 0.00 C ATOM 0 H ALA A 87 4.204 10.891 -19.576 1.00 0.00 H new ATOM 0 HA ALA A 87 4.437 10.011 -22.232 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.853 7.863 -21.131 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.023 8.773 -20.145 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.303 8.748 -19.688 1.00 0.00 H new ATOM 1384 N GLN A 88 1.314 9.947 -21.082 1.00 0.00 N ATOM 1385 CA GLN A 88 -0.093 9.960 -21.490 1.00 0.00 C ATOM 1386 C GLN A 88 -0.478 11.230 -22.238 1.00 0.00 C ATOM 1387 O GLN A 88 -1.495 11.260 -22.928 1.00 0.00 O ATOM 1388 CB GLN A 88 -1.002 9.777 -20.292 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.645 10.755 -19.192 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.578 10.623 -18.000 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -2.740 11.006 -18.060 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -1.069 10.069 -16.903 1.00 0.00 N ATOM 0 H GLN A 88 1.444 9.884 -20.072 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.221 9.124 -22.177 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.040 9.923 -20.592 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.918 8.756 -19.919 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.382 10.583 -18.871 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.692 11.773 -19.580 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.096 9.762 -16.891 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.651 9.951 -16.074 1.00 0.00 H new ATOM 1401 N GLY A 89 0.339 12.273 -22.097 1.00 0.00 N ATOM 1402 CA GLY A 89 0.140 13.539 -22.780 1.00 0.00 C ATOM 1403 C GLY A 89 0.972 13.589 -24.056 1.00 0.00 C ATOM 1404 O GLY A 89 1.108 14.648 -24.670 1.00 0.00 O ATOM 0 H GLY A 89 1.164 12.257 -21.498 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.915 13.668 -23.021 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.420 14.362 -22.123 1.00 0.00 H new ATOM 1408 N ALA A 90 1.526 12.438 -24.448 1.00 0.00 N ATOM 1409 CA ALA A 90 2.383 12.307 -25.614 1.00 0.00 C ATOM 1410 C ALA A 90 2.112 11.031 -26.395 1.00 0.00 C ATOM 1411 O ALA A 90 2.476 10.950 -27.567 1.00 0.00 O ATOM 1412 CB ALA A 90 3.819 12.200 -25.128 1.00 0.00 C ATOM 0 H ALA A 90 1.384 11.559 -23.950 1.00 0.00 H new ATOM 0 HA ALA A 90 2.197 13.169 -26.254 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.486 12.100 -25.984 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.081 13.097 -24.566 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.921 11.326 -24.485 1.00 0.00 H new ATOM 1833 N VAL B 708 17.161 8.049 -13.174 1.00 0.00 N ATOM 1834 CA VAL B 708 16.656 6.738 -12.785 1.00 0.00 C ATOM 1835 C VAL B 708 16.229 6.643 -11.313 1.00 0.00 C ATOM 1836 O VAL B 708 15.849 7.651 -10.724 1.00 0.00 O ATOM 1837 CB VAL B 708 17.625 5.634 -13.210 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.090 5.852 -14.639 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.878 5.513 -12.358 1.00 0.00 C ATOM 0 HA VAL B 708 15.726 6.585 -13.333 1.00 0.00 H new ATOM 0 HB VAL B 708 17.046 4.718 -13.090 1.00 0.00 H new ATOM 0 HG11 VAL B 708 18.779 5.056 -14.923 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.229 5.842 -15.307 1.00 0.00 H new ATOM 0 HG13 VAL B 708 18.597 6.814 -14.714 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.500 4.703 -12.739 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.436 6.449 -12.397 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.597 5.300 -11.326 1.00 0.00 H new ATOM 1849 N ASP B 709 16.288 5.436 -10.730 1.00 0.00 N ATOM 1850 CA ASP B 709 15.872 5.137 -9.359 1.00 0.00 C ATOM 1851 C ASP B 709 16.220 6.255 -8.372 1.00 0.00 C ATOM 1852 O ASP B 709 15.292 6.683 -7.650 1.00 0.00 O ATOM 1853 CB ASP B 709 16.453 3.799 -8.894 1.00 0.00 C ATOM 1854 CG ASP B 709 17.970 3.710 -9.026 1.00 0.00 C ATOM 1855 OD1 ASP B 709 18.429 3.450 -10.162 1.00 0.00 O ATOM 1856 OD2 ASP B 709 18.660 3.899 -8.000 1.00 0.00 O ATOM 1857 OXT ASP B 709 17.400 6.669 -8.340 1.00 0.00 O ATOM 0 H ASP B 709 16.640 4.614 -11.221 1.00 0.00 H new ATOM 0 HA ASP B 709 14.785 5.063 -9.373 1.00 0.00 H new ATOM 0 HB2 ASP B 709 16.178 3.636 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP B 709 15.999 2.995 -9.473 1.00 0.00 H new