USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 800 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 11 ASN : amide:sc= 0 X(o=0.44,f=0.39) USER MOD Set 1.2: B 28 LYS NZ :NH3+ -157:sc= 0.438 (180deg=0.169) USER MOD Set 2.1: B 23 ASN : amide:sc= -2.73 K(o=-10,f=-25!) USER MOD Set 2.2: B 26 GLN : amide:sc= -4.53! C(o=-10!,f=-13!) USER MOD Set 2.3: B 55 GLN : amide:sc= -3.21! C(o=-10!,f=-11!) USER MOD Set 3.1: B 6 ASN : amide:sc= -1.99 K(o=-2,f=-5.2!) USER MOD Set 3.2: B 7 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0863) USER MOD Set 4.1: A 14 TYR OH : rot 149:sc= -0.627! USER MOD Set 4.2: A 18 HIS : no HD1:sc= -19.6! C(o=-20!,f=-25!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc=-0.00488 (180deg=-0.0422) USER MOD Single : A 9 GLN : amide:sc= -1.98 X(o=-2,f=-1.7) USER MOD Single : A 10 GLN : amide:sc= -2.01 K(o=-2,f=-6.1!) USER MOD Single : A 21 ASN : amide:sc= -0.555 K(o=-0.56,f=-1.3) USER MOD Single : A 23 ASN : amide:sc= -0.825 K(o=-0.83,f=-9.6!) USER MOD Single : A 26 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.2!) USER MOD Single : A 28 ASN : amide:sc= -1.79 K(o=-1.8,f=-5.6!) USER MOD Single : A 32 GLN : amide:sc= -0.256 K(o=-0.26,f=-2.1!) USER MOD Single : A 33 SER OG : rot 5:sc= -0.298 USER MOD Single : A 35 LYS NZ :NH3+ -110:sc= 0.652 (180deg=-2.94!) USER MOD Single : A 39 SER OG : rot -32:sc= 0.658 USER MOD Single : A 40 GLN : amide:sc= -0.921 K(o=-0.92,f=-5.5!) USER MOD Single : A 41 SER OG : rot -98:sc= 0.491 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.93! C(o=-1.9!,f=-10!) USER MOD Single : A 55 GLN : amide:sc= -1.49 K(o=-1.5,f=-4.6!) USER MOD Single : B 10 SER OG : rot -169:sc= -1.08 USER MOD Single : B 18 THR OG1 : rot -99:sc= 1.25 USER MOD Single : B 21 ASN : amide:sc= -2.54! C(o=-2.5!,f=-3.5!) USER MOD Single : B 27 LYS NZ :NH3+ -164:sc= 0.193 (180deg=0.0926) USER MOD Single : B 33 SER OG : rot -29:sc= -0.133 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.675 F(o=-1.2,f=-0.68) USER MOD Single : B 41 SER OG : rot 180:sc= -3.29! USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ -173:sc= 0.559 (180deg=0.534) USER MOD Single : B 52 ASN : amide:sc= -3.92! C(o=-3.9!,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 4.201 -13.963 6.843 1.00 0.00 N ATOM 68 CA PHE A 5 4.228 -13.287 5.499 1.00 0.00 C ATOM 69 C PHE A 5 2.822 -12.883 5.023 1.00 0.00 C ATOM 70 O PHE A 5 2.692 -11.928 4.279 1.00 0.00 O ATOM 71 CB PHE A 5 4.875 -14.292 4.526 1.00 0.00 C ATOM 72 CG PHE A 5 6.324 -14.577 4.913 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.086 -13.630 5.631 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.907 -15.797 4.549 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.411 -13.911 5.975 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.234 -16.075 4.896 1.00 0.00 C ATOM 77 CZ PHE A 5 8.985 -15.132 5.607 1.00 0.00 C ATOM 0 HA PHE A 5 4.795 -12.358 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.306 -15.221 4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.838 -13.896 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.644 -12.686 5.915 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.331 -16.526 3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.992 -13.185 6.525 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.679 -17.018 4.615 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.010 -15.348 5.872 1.00 0.00 H new ATOM 87 N ASN A 6 1.776 -13.586 5.442 1.00 0.00 N ATOM 88 CA ASN A 6 0.379 -13.218 5.005 1.00 0.00 C ATOM 89 C ASN A 6 0.098 -11.732 5.305 1.00 0.00 C ATOM 90 O ASN A 6 -0.217 -10.976 4.401 1.00 0.00 O ATOM 91 CB ASN A 6 -0.561 -14.129 5.811 1.00 0.00 C ATOM 92 CG ASN A 6 -2.006 -13.937 5.337 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.785 -13.271 5.989 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.401 -14.495 4.223 1.00 0.00 N ATOM 0 H ASN A 6 1.833 -14.393 6.064 1.00 0.00 H new ATOM 0 HA ASN A 6 0.239 -13.353 3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.265 -15.171 5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.484 -13.897 6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.361 -14.371 3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.749 -15.055 3.674 1.00 0.00 H new ATOM 101 N LYS A 7 0.248 -11.302 6.550 1.00 0.00 N ATOM 102 CA LYS A 7 0.022 -9.852 6.867 1.00 0.00 C ATOM 103 C LYS A 7 1.339 -9.049 6.827 1.00 0.00 C ATOM 104 O LYS A 7 1.288 -7.840 6.829 1.00 0.00 O ATOM 105 CB LYS A 7 -0.625 -9.780 8.253 1.00 0.00 C ATOM 106 CG LYS A 7 -1.015 -8.330 8.563 1.00 0.00 C ATOM 107 CD LYS A 7 -0.127 -7.733 9.658 1.00 0.00 C ATOM 108 CE LYS A 7 -0.344 -8.472 10.991 1.00 0.00 C ATOM 109 NZ LYS A 7 0.994 -9.026 11.366 1.00 0.00 N ATOM 0 H LYS A 7 0.513 -11.887 7.343 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.631 -9.405 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.507 -10.420 8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.068 -10.151 9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.933 -7.728 7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.058 -8.292 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.920 -7.802 9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.354 -6.674 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.717 -7.794 11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.081 -9.267 10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.879 -9.730 12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.428 -9.478 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.607 -8.256 11.700 1.00 0.00 H new ATOM 123 N GLU A 8 2.510 -9.677 6.748 1.00 0.00 N ATOM 124 CA GLU A 8 3.767 -8.860 6.653 1.00 0.00 C ATOM 125 C GLU A 8 3.769 -8.182 5.296 1.00 0.00 C ATOM 126 O GLU A 8 4.083 -7.022 5.195 1.00 0.00 O ATOM 127 CB GLU A 8 4.965 -9.798 6.792 1.00 0.00 C ATOM 128 CG GLU A 8 5.221 -10.105 8.271 1.00 0.00 C ATOM 129 CD GLU A 8 5.533 -8.813 9.044 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.516 -8.162 8.715 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.775 -8.489 9.945 1.00 0.00 O ATOM 0 H GLU A 8 2.638 -10.689 6.746 1.00 0.00 H new ATOM 0 HA GLU A 8 3.821 -8.106 7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.778 -10.723 6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.849 -9.340 6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.347 -10.592 8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.054 -10.802 8.365 1.00 0.00 H new ATOM 138 N GLN A 9 3.340 -8.890 4.266 1.00 0.00 N ATOM 139 CA GLN A 9 3.215 -8.264 2.921 1.00 0.00 C ATOM 140 C GLN A 9 2.144 -7.163 3.024 1.00 0.00 C ATOM 141 O GLN A 9 2.294 -6.099 2.482 1.00 0.00 O ATOM 142 CB GLN A 9 2.727 -9.358 1.968 1.00 0.00 C ATOM 143 CG GLN A 9 3.778 -10.443 1.754 1.00 0.00 C ATOM 144 CD GLN A 9 3.172 -11.525 0.855 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.283 -11.457 -0.352 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.519 -12.521 1.392 1.00 0.00 N ATOM 0 H GLN A 9 3.074 -9.874 4.310 1.00 0.00 H new ATOM 0 HA GLN A 9 4.155 -7.840 2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.818 -9.808 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.466 -8.912 1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.671 -10.022 1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.084 -10.870 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.424 -12.581 2.406 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.104 -13.239 0.797 1.00 0.00 H new ATOM 155 N GLN A 10 1.078 -7.429 3.770 1.00 0.00 N ATOM 156 CA GLN A 10 -0.020 -6.421 3.992 1.00 0.00 C ATOM 157 C GLN A 10 0.531 -5.199 4.747 1.00 0.00 C ATOM 158 O GLN A 10 0.279 -4.073 4.364 1.00 0.00 O ATOM 159 CB GLN A 10 -1.062 -7.172 4.843 1.00 0.00 C ATOM 160 CG GLN A 10 -2.462 -7.024 4.228 1.00 0.00 C ATOM 161 CD GLN A 10 -2.945 -8.343 3.597 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.492 -8.341 2.516 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.805 -9.475 4.240 1.00 0.00 N ATOM 0 H GLN A 10 0.926 -8.321 4.240 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.446 -6.045 3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.796 -8.227 4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.061 -6.780 5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.167 -6.708 4.997 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.446 -6.241 3.470 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.346 -9.491 5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.155 -10.341 3.830 1.00 0.00 H new ATOM 172 N ASN A 11 1.296 -5.426 5.800 1.00 0.00 N ATOM 173 CA ASN A 11 1.896 -4.296 6.586 1.00 0.00 C ATOM 174 C ASN A 11 3.013 -3.624 5.785 1.00 0.00 C ATOM 175 O ASN A 11 3.093 -2.419 5.735 1.00 0.00 O ATOM 176 CB ASN A 11 2.471 -4.927 7.861 1.00 0.00 C ATOM 177 CG ASN A 11 2.725 -3.834 8.904 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.806 -3.379 9.558 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.936 -3.379 9.081 1.00 0.00 N ATOM 0 H ASN A 11 1.530 -6.356 6.148 1.00 0.00 H new ATOM 0 HA ASN A 11 1.153 -3.532 6.814 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.777 -5.668 8.257 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.400 -5.450 7.633 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.109 -2.644 9.766 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.709 -3.759 8.534 1.00 0.00 H new ATOM 186 N ALA A 12 3.866 -4.406 5.147 1.00 0.00 N ATOM 187 CA ALA A 12 4.975 -3.827 4.322 1.00 0.00 C ATOM 188 C ALA A 12 4.371 -3.054 3.155 1.00 0.00 C ATOM 189 O ALA A 12 4.772 -1.946 2.883 1.00 0.00 O ATOM 190 CB ALA A 12 5.788 -5.014 3.803 1.00 0.00 C ATOM 0 H ALA A 12 3.836 -5.425 5.166 1.00 0.00 H new ATOM 0 HA ALA A 12 5.603 -3.147 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.614 -4.650 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.183 -5.581 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.147 -5.658 3.200 1.00 0.00 H new ATOM 196 N PHE A 13 3.367 -3.621 2.507 1.00 0.00 N ATOM 197 CA PHE A 13 2.661 -2.917 1.389 1.00 0.00 C ATOM 198 C PHE A 13 2.110 -1.600 1.928 1.00 0.00 C ATOM 199 O PHE A 13 2.370 -0.538 1.396 1.00 0.00 O ATOM 200 CB PHE A 13 1.495 -3.850 1.002 1.00 0.00 C ATOM 201 CG PHE A 13 0.539 -3.150 0.084 1.00 0.00 C ATOM 202 CD1 PHE A 13 0.995 -2.611 -1.110 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.815 -3.087 0.410 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.105 -2.013 -1.983 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.708 -2.477 -0.457 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.250 -1.945 -1.655 1.00 0.00 C ATOM 0 H PHE A 13 3.008 -4.553 2.713 1.00 0.00 H new ATOM 0 HA PHE A 13 3.308 -2.705 0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.884 -4.745 0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.971 -4.177 1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.045 -2.658 -1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.168 -3.513 1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.457 -1.600 -2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.756 -2.416 -0.202 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.945 -1.477 -2.336 1.00 0.00 H new ATOM 216 N TYR A 14 1.369 -1.701 3.009 1.00 0.00 N ATOM 217 CA TYR A 14 0.774 -0.510 3.672 1.00 0.00 C ATOM 218 C TYR A 14 1.865 0.516 4.006 1.00 0.00 C ATOM 219 O TYR A 14 1.777 1.656 3.603 1.00 0.00 O ATOM 220 CB TYR A 14 0.170 -1.098 4.942 1.00 0.00 C ATOM 221 CG TYR A 14 -0.519 -0.038 5.742 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.769 0.423 5.346 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.087 0.467 6.894 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.415 1.374 6.087 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.564 1.438 7.652 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.819 1.896 7.253 1.00 0.00 C ATOM 227 OH TYR A 14 -2.457 2.886 7.992 1.00 0.00 O ATOM 0 H TYR A 14 1.151 -2.587 3.465 1.00 0.00 H new ATOM 0 HA TYR A 14 0.046 0.017 3.056 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.540 -1.883 4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.953 -1.561 5.542 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.231 0.030 4.452 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.059 0.106 7.197 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.387 1.727 5.777 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.099 1.833 8.543 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.227 2.787 8.939 1.00 0.00 H new ATOM 237 N GLU A 15 2.901 0.106 4.713 1.00 0.00 N ATOM 238 CA GLU A 15 4.008 1.053 5.064 1.00 0.00 C ATOM 239 C GLU A 15 4.656 1.596 3.785 1.00 0.00 C ATOM 240 O GLU A 15 4.873 2.783 3.690 1.00 0.00 O ATOM 241 CB GLU A 15 5.003 0.250 5.904 1.00 0.00 C ATOM 242 CG GLU A 15 4.379 -0.098 7.269 1.00 0.00 C ATOM 243 CD GLU A 15 5.118 0.644 8.389 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.986 1.858 8.460 1.00 0.00 O ATOM 245 OE2 GLU A 15 5.803 -0.009 9.157 1.00 0.00 O ATOM 0 H GLU A 15 3.023 -0.845 5.060 1.00 0.00 H new ATOM 0 HA GLU A 15 3.648 1.917 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.281 -0.664 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.917 0.826 6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.324 0.175 7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.431 -1.174 7.438 1.00 0.00 H new ATOM 252 N ILE A 16 4.906 0.760 2.777 1.00 0.00 N ATOM 253 CA ILE A 16 5.477 1.275 1.472 1.00 0.00 C ATOM 254 C ILE A 16 4.575 2.423 0.967 1.00 0.00 C ATOM 255 O ILE A 16 5.051 3.479 0.593 1.00 0.00 O ATOM 256 CB ILE A 16 5.486 0.050 0.506 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.854 -0.638 0.623 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.241 0.454 -0.960 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.682 -2.153 0.598 1.00 0.00 C ATOM 0 H ILE A 16 4.739 -0.246 2.806 1.00 0.00 H new ATOM 0 HA ILE A 16 6.486 1.679 1.561 1.00 0.00 H new ATOM 0 HB ILE A 16 4.675 -0.620 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.499 -0.324 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.344 -0.335 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.257 -0.435 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.270 0.942 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.022 1.142 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.658 -2.631 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.054 -2.462 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.211 -2.450 -0.339 1.00 0.00 H new ATOM 271 N LEU A 17 3.274 2.206 1.002 1.00 0.00 N ATOM 272 CA LEU A 17 2.283 3.264 0.571 1.00 0.00 C ATOM 273 C LEU A 17 2.276 4.470 1.528 1.00 0.00 C ATOM 274 O LEU A 17 2.176 5.603 1.087 1.00 0.00 O ATOM 275 CB LEU A 17 0.917 2.576 0.581 1.00 0.00 C ATOM 276 CG LEU A 17 0.898 1.492 -0.489 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.071 0.331 -0.023 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.233 1.971 -1.751 1.00 0.00 C ATOM 0 H LEU A 17 2.850 1.332 1.314 1.00 0.00 H new ATOM 0 HA LEU A 17 2.544 3.658 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.722 2.141 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.128 3.304 0.393 1.00 0.00 H new ATOM 0 HG LEU A 17 1.937 1.221 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.061 -0.441 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.499 -0.076 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.949 0.665 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.238 1.171 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.796 2.258 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.774 2.832 -2.143 1.00 0.00 H new ATOM 290 N HIS A 18 2.369 4.238 2.828 1.00 0.00 N ATOM 291 CA HIS A 18 2.353 5.378 3.811 1.00 0.00 C ATOM 292 C HIS A 18 3.724 6.104 3.887 1.00 0.00 C ATOM 293 O HIS A 18 3.789 7.212 4.392 1.00 0.00 O ATOM 294 CB HIS A 18 2.019 4.766 5.187 1.00 0.00 C ATOM 295 CG HIS A 18 0.552 4.447 5.281 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.411 5.392 5.640 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.151 3.305 5.027 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.608 4.770 5.569 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.482 3.547 5.195 1.00 0.00 N ATOM 0 H HIS A 18 2.455 3.311 3.245 1.00 0.00 H new ATOM 0 HA HIS A 18 1.620 6.122 3.499 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.605 3.859 5.340 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.297 5.462 5.978 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.280 2.358 4.738 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.552 5.241 5.798 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.239 2.879 5.050 1.00 0.00 H new ATOM 307 N LEU A 19 4.817 5.492 3.420 1.00 0.00 N ATOM 308 CA LEU A 19 6.175 6.159 3.501 1.00 0.00 C ATOM 309 C LEU A 19 6.160 7.511 2.748 1.00 0.00 C ATOM 310 O LEU A 19 5.878 7.549 1.560 1.00 0.00 O ATOM 311 CB LEU A 19 7.189 5.188 2.855 1.00 0.00 C ATOM 312 CG LEU A 19 7.628 4.099 3.859 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.564 3.100 3.166 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.361 4.724 5.054 1.00 0.00 C ATOM 0 H LEU A 19 4.820 4.567 2.991 1.00 0.00 H new ATOM 0 HA LEU A 19 6.445 6.370 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.742 4.720 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.061 5.743 2.511 1.00 0.00 H new ATOM 0 HG LEU A 19 6.735 3.587 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.871 2.334 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.042 2.631 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.445 3.624 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.661 3.939 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.246 5.254 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.698 5.424 5.562 1.00 0.00 H new ATOM 326 N PRO A 20 6.431 8.582 3.483 1.00 0.00 N ATOM 327 CA PRO A 20 6.418 9.965 2.901 1.00 0.00 C ATOM 328 C PRO A 20 7.522 10.233 1.851 1.00 0.00 C ATOM 329 O PRO A 20 7.386 11.163 1.074 1.00 0.00 O ATOM 330 CB PRO A 20 6.616 10.867 4.122 1.00 0.00 C ATOM 331 CG PRO A 20 7.308 10.007 5.125 1.00 0.00 C ATOM 332 CD PRO A 20 6.777 8.617 4.920 1.00 0.00 C ATOM 0 HA PRO A 20 5.493 10.138 2.351 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.214 11.743 3.873 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.662 11.230 4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.388 10.036 4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.110 10.354 6.139 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.523 7.863 5.171 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.906 8.425 5.546 1.00 0.00 H new ATOM 340 N ASN A 21 8.604 9.466 1.809 1.00 0.00 N ATOM 341 CA ASN A 21 9.674 9.750 0.794 1.00 0.00 C ATOM 342 C ASN A 21 9.693 8.702 -0.339 1.00 0.00 C ATOM 343 O ASN A 21 10.514 8.794 -1.239 1.00 0.00 O ATOM 344 CB ASN A 21 10.991 9.780 1.583 1.00 0.00 C ATOM 345 CG ASN A 21 10.989 10.988 2.530 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.092 12.118 2.093 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.866 10.802 3.817 1.00 0.00 N ATOM 0 H ASN A 21 8.784 8.672 2.424 1.00 0.00 H new ATOM 0 HA ASN A 21 9.498 10.698 0.285 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.108 8.858 2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.837 9.842 0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.857 11.602 4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.779 9.856 4.190 1.00 0.00 H new ATOM 354 N LEU A 22 8.768 7.747 -0.347 1.00 0.00 N ATOM 355 CA LEU A 22 8.721 6.761 -1.475 1.00 0.00 C ATOM 356 C LEU A 22 7.920 7.377 -2.625 1.00 0.00 C ATOM 357 O LEU A 22 7.076 8.234 -2.414 1.00 0.00 O ATOM 358 CB LEU A 22 8.025 5.478 -0.956 1.00 0.00 C ATOM 359 CG LEU A 22 8.960 4.631 -0.066 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.486 3.174 -0.066 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.392 4.665 -0.595 1.00 0.00 C ATOM 0 H LEU A 22 8.058 7.618 0.373 1.00 0.00 H new ATOM 0 HA LEU A 22 9.721 6.515 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.136 5.752 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.691 4.879 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 22 8.935 5.046 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.146 2.577 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.469 3.122 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.505 2.785 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.032 4.061 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.415 4.265 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.753 5.694 -0.603 1.00 0.00 H new ATOM 373 N ASN A 23 8.185 6.957 -3.835 1.00 0.00 N ATOM 374 CA ASN A 23 7.450 7.517 -5.020 1.00 0.00 C ATOM 375 C ASN A 23 6.838 6.392 -5.859 1.00 0.00 C ATOM 376 O ASN A 23 6.841 5.244 -5.463 1.00 0.00 O ATOM 377 CB ASN A 23 8.476 8.337 -5.834 1.00 0.00 C ATOM 378 CG ASN A 23 9.779 7.553 -6.054 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.820 6.637 -6.843 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.850 7.880 -5.378 1.00 0.00 N ATOM 0 H ASN A 23 8.882 6.247 -4.059 1.00 0.00 H new ATOM 0 HA ASN A 23 6.621 8.151 -4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.045 8.606 -6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.695 9.268 -5.312 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.718 7.363 -5.517 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.817 8.652 -4.712 1.00 0.00 H new ATOM 387 N GLU A 24 6.309 6.727 -7.013 1.00 0.00 N ATOM 388 CA GLU A 24 5.668 5.697 -7.904 1.00 0.00 C ATOM 389 C GLU A 24 6.678 4.596 -8.280 1.00 0.00 C ATOM 390 O GLU A 24 6.321 3.443 -8.368 1.00 0.00 O ATOM 391 CB GLU A 24 5.220 6.465 -9.158 1.00 0.00 C ATOM 392 CG GLU A 24 4.052 5.727 -9.834 1.00 0.00 C ATOM 393 CD GLU A 24 2.715 6.243 -9.280 1.00 0.00 C ATOM 394 OE1 GLU A 24 2.382 7.387 -9.548 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.041 5.484 -8.603 1.00 0.00 O ATOM 0 H GLU A 24 6.292 7.678 -7.382 1.00 0.00 H new ATOM 0 HA GLU A 24 4.833 5.201 -7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.915 7.476 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.053 6.560 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.091 5.878 -10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.138 4.655 -9.659 1.00 0.00 H new ATOM 402 N GLU A 25 7.931 4.952 -8.492 1.00 0.00 N ATOM 403 CA GLU A 25 8.969 3.925 -8.858 1.00 0.00 C ATOM 404 C GLU A 25 9.348 3.047 -7.645 1.00 0.00 C ATOM 405 O GLU A 25 9.371 1.838 -7.746 1.00 0.00 O ATOM 406 CB GLU A 25 10.185 4.734 -9.335 1.00 0.00 C ATOM 407 CG GLU A 25 11.285 3.789 -9.843 1.00 0.00 C ATOM 408 CD GLU A 25 12.583 4.574 -10.061 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.192 4.965 -9.075 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.948 4.770 -11.209 1.00 0.00 O ATOM 0 H GLU A 25 8.278 5.909 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 25 8.599 3.243 -9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.887 5.418 -10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.569 5.344 -8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.450 2.988 -9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.972 3.320 -10.776 1.00 0.00 H new ATOM 417 N GLN A 26 9.658 3.654 -6.513 1.00 0.00 N ATOM 418 CA GLN A 26 10.065 2.860 -5.288 1.00 0.00 C ATOM 419 C GLN A 26 8.870 2.104 -4.691 1.00 0.00 C ATOM 420 O GLN A 26 8.948 0.916 -4.447 1.00 0.00 O ATOM 421 CB GLN A 26 10.605 3.890 -4.273 1.00 0.00 C ATOM 422 CG GLN A 26 11.753 4.719 -4.886 1.00 0.00 C ATOM 423 CD GLN A 26 12.978 3.836 -5.156 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.808 3.654 -4.290 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.131 3.284 -6.328 1.00 0.00 N ATOM 0 H GLN A 26 9.648 4.665 -6.382 1.00 0.00 H new ATOM 0 HA GLN A 26 10.814 2.110 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.799 4.554 -3.959 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.960 3.375 -3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.419 5.180 -5.816 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.025 5.529 -4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.435 3.435 -7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.947 2.701 -6.515 1.00 0.00 H new ATOM 434 N ARG A 27 7.779 2.794 -4.450 1.00 0.00 N ATOM 435 CA ARG A 27 6.560 2.153 -3.843 1.00 0.00 C ATOM 436 C ARG A 27 5.958 1.045 -4.740 1.00 0.00 C ATOM 437 O ARG A 27 5.667 -0.034 -4.261 1.00 0.00 O ATOM 438 CB ARG A 27 5.570 3.311 -3.708 1.00 0.00 C ATOM 439 CG ARG A 27 4.219 2.846 -3.158 1.00 0.00 C ATOM 440 CD ARG A 27 3.572 3.952 -2.302 1.00 0.00 C ATOM 441 NE ARG A 27 3.980 5.274 -2.891 1.00 0.00 N ATOM 442 CZ ARG A 27 4.410 6.276 -2.133 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.893 6.074 -0.922 1.00 0.00 N ATOM 444 NH2 ARG A 27 4.381 7.501 -2.608 1.00 0.00 N ATOM 0 H ARG A 27 7.678 3.789 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 27 6.799 1.661 -2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.988 4.071 -3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.424 3.779 -4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.556 2.582 -3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.355 1.947 -2.557 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.487 3.851 -2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.900 3.876 -1.265 1.00 0.00 H new ATOM 0 HE ARG A 27 3.925 5.405 -3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.944 5.128 -0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.216 6.864 -0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.031 7.675 -3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.709 8.278 -2.035 1.00 0.00 H new ATOM 458 N ASN A 28 5.761 1.305 -6.028 1.00 0.00 N ATOM 459 CA ASN A 28 5.165 0.259 -6.938 1.00 0.00 C ATOM 460 C ASN A 28 6.117 -0.927 -7.088 1.00 0.00 C ATOM 461 O ASN A 28 5.691 -2.060 -7.014 1.00 0.00 O ATOM 462 CB ASN A 28 4.952 0.945 -8.283 1.00 0.00 C ATOM 463 CG ASN A 28 4.350 -0.030 -9.310 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.545 -0.880 -8.977 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.720 0.056 -10.556 1.00 0.00 N ATOM 0 H ASN A 28 5.987 2.191 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 28 4.230 -0.132 -6.536 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.290 1.801 -8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.902 1.329 -8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.335 -0.587 -11.248 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.394 0.767 -10.840 1.00 0.00 H new ATOM 472 N ALA A 29 7.401 -0.666 -7.269 1.00 0.00 N ATOM 473 CA ALA A 29 8.397 -1.785 -7.386 1.00 0.00 C ATOM 474 C ALA A 29 8.326 -2.648 -6.131 1.00 0.00 C ATOM 475 O ALA A 29 8.399 -3.859 -6.202 1.00 0.00 O ATOM 476 CB ALA A 29 9.750 -1.110 -7.450 1.00 0.00 C ATOM 0 H ALA A 29 7.796 0.272 -7.340 1.00 0.00 H new ATOM 0 HA ALA A 29 8.210 -2.417 -8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.530 -1.866 -7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.787 -0.450 -8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.909 -0.527 -6.543 1.00 0.00 H new ATOM 482 N PHE A 30 8.141 -2.013 -4.990 1.00 0.00 N ATOM 483 CA PHE A 30 8.006 -2.761 -3.709 1.00 0.00 C ATOM 484 C PHE A 30 6.766 -3.603 -3.741 1.00 0.00 C ATOM 485 O PHE A 30 6.799 -4.751 -3.390 1.00 0.00 O ATOM 486 CB PHE A 30 7.897 -1.696 -2.626 1.00 0.00 C ATOM 487 CG PHE A 30 9.279 -1.224 -2.247 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.389 -2.073 -2.411 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.453 0.043 -1.705 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.639 -1.656 -2.040 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.719 0.454 -1.319 1.00 0.00 C ATOM 492 CZ PHE A 30 11.814 -0.408 -1.490 1.00 0.00 C ATOM 0 H PHE A 30 8.078 -0.999 -4.900 1.00 0.00 H new ATOM 0 HA PHE A 30 8.849 -3.429 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.300 -0.857 -2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.387 -2.101 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.254 -3.059 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.607 0.704 -1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.489 -2.308 -2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.863 1.434 -0.888 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.800 -0.089 -1.188 1.00 0.00 H new ATOM 502 N ILE A 31 5.689 -3.045 -4.201 1.00 0.00 N ATOM 503 CA ILE A 31 4.431 -3.819 -4.315 1.00 0.00 C ATOM 504 C ILE A 31 4.620 -4.930 -5.367 1.00 0.00 C ATOM 505 O ILE A 31 4.041 -5.979 -5.237 1.00 0.00 O ATOM 506 CB ILE A 31 3.375 -2.778 -4.688 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.252 -1.799 -3.515 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.049 -3.462 -4.927 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.525 -0.543 -3.943 1.00 0.00 C ATOM 0 H ILE A 31 5.626 -2.074 -4.507 1.00 0.00 H new ATOM 0 HA ILE A 31 4.130 -4.337 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 31 3.660 -2.249 -5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.716 -2.274 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.244 -1.543 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.298 -2.718 -5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.152 -4.180 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.739 -3.982 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.448 0.139 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.077 -0.060 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.526 -0.802 -4.292 1.00 0.00 H new ATOM 521 N GLN A 32 5.470 -4.729 -6.370 1.00 0.00 N ATOM 522 CA GLN A 32 5.736 -5.816 -7.376 1.00 0.00 C ATOM 523 C GLN A 32 6.609 -6.914 -6.722 1.00 0.00 C ATOM 524 O GLN A 32 6.303 -8.086 -6.823 1.00 0.00 O ATOM 525 CB GLN A 32 6.454 -5.130 -8.551 1.00 0.00 C ATOM 526 CG GLN A 32 5.459 -4.223 -9.291 1.00 0.00 C ATOM 527 CD GLN A 32 6.171 -3.458 -10.411 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.766 -2.427 -10.173 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.130 -3.918 -11.634 1.00 0.00 N ATOM 0 H GLN A 32 5.984 -3.862 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 32 4.826 -6.305 -7.725 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.297 -4.543 -8.185 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.859 -5.878 -9.232 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.650 -4.823 -9.708 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.007 -3.520 -8.591 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.631 -4.784 -11.837 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.597 -3.411 -12.386 1.00 0.00 H new ATOM 538 N SER A 33 7.660 -6.526 -6.006 1.00 0.00 N ATOM 539 CA SER A 33 8.537 -7.521 -5.277 1.00 0.00 C ATOM 540 C SER A 33 7.774 -8.146 -4.088 1.00 0.00 C ATOM 541 O SER A 33 7.995 -9.288 -3.729 1.00 0.00 O ATOM 542 CB SER A 33 9.758 -6.723 -4.794 1.00 0.00 C ATOM 543 OG SER A 33 9.333 -5.572 -4.083 1.00 0.00 O ATOM 0 H SER A 33 7.947 -5.553 -5.897 1.00 0.00 H new ATOM 0 HA SER A 33 8.835 -8.348 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.381 -7.347 -4.153 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.371 -6.429 -5.646 1.00 0.00 H new ATOM 0 HG SER A 33 8.357 -5.585 -3.992 1.00 0.00 H new ATOM 549 N LEU A 34 6.875 -7.387 -3.492 1.00 0.00 N ATOM 550 CA LEU A 34 6.057 -7.871 -2.332 1.00 0.00 C ATOM 551 C LEU A 34 4.912 -8.780 -2.832 1.00 0.00 C ATOM 552 O LEU A 34 4.687 -9.842 -2.281 1.00 0.00 O ATOM 553 CB LEU A 34 5.532 -6.567 -1.701 1.00 0.00 C ATOM 554 CG LEU A 34 4.853 -6.812 -0.355 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.896 -6.980 0.729 1.00 0.00 C ATOM 556 CD2 LEU A 34 3.987 -5.610 -0.007 1.00 0.00 C ATOM 0 H LEU A 34 6.672 -6.427 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 34 6.615 -8.475 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.360 -5.871 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.825 -6.094 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 34 4.246 -7.715 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.402 -7.154 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.535 -7.830 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.503 -6.077 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.499 -5.779 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.610 -4.718 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.230 -5.471 -0.779 1.00 0.00 H new ATOM 568 N LYS A 35 4.205 -8.375 -3.886 1.00 0.00 N ATOM 569 CA LYS A 35 3.086 -9.225 -4.446 1.00 0.00 C ATOM 570 C LYS A 35 3.662 -10.522 -5.053 1.00 0.00 C ATOM 571 O LYS A 35 3.024 -11.558 -5.009 1.00 0.00 O ATOM 572 CB LYS A 35 2.354 -8.364 -5.526 1.00 0.00 C ATOM 573 CG LYS A 35 1.173 -7.595 -4.939 1.00 0.00 C ATOM 574 CD LYS A 35 0.271 -8.565 -4.164 1.00 0.00 C ATOM 575 CE LYS A 35 -1.167 -8.048 -4.140 1.00 0.00 C ATOM 576 NZ LYS A 35 -2.034 -9.270 -4.200 1.00 0.00 N ATOM 0 H LYS A 35 4.359 -7.494 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 35 2.383 -9.522 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.060 -7.662 -5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.002 -9.012 -6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.531 -6.806 -4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.607 -7.112 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.302 -9.551 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.640 -8.680 -3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.362 -7.473 -3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.361 -7.388 -4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.508 -9.315 -5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.447 -10.119 -4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.750 -9.225 -3.447 1.00 0.00 H new ATOM 590 N ASP A 36 4.866 -10.467 -5.605 1.00 0.00 N ATOM 591 CA ASP A 36 5.499 -11.691 -6.203 1.00 0.00 C ATOM 592 C ASP A 36 6.187 -12.558 -5.120 1.00 0.00 C ATOM 593 O ASP A 36 5.983 -13.759 -5.077 1.00 0.00 O ATOM 594 CB ASP A 36 6.535 -11.155 -7.208 1.00 0.00 C ATOM 595 CG ASP A 36 7.166 -12.318 -7.983 1.00 0.00 C ATOM 596 OD1 ASP A 36 6.577 -12.738 -8.967 1.00 0.00 O ATOM 597 OD2 ASP A 36 8.229 -12.764 -7.582 1.00 0.00 O ATOM 0 H ASP A 36 5.433 -9.621 -5.664 1.00 0.00 H new ATOM 0 HA ASP A 36 4.757 -12.334 -6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.057 -10.463 -7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.309 -10.596 -6.682 1.00 0.00 H new ATOM 602 N ASP A 37 7.010 -11.960 -4.269 1.00 0.00 N ATOM 603 CA ASP A 37 7.727 -12.754 -3.210 1.00 0.00 C ATOM 604 C ASP A 37 7.259 -12.360 -1.789 1.00 0.00 C ATOM 605 O ASP A 37 7.540 -11.265 -1.326 1.00 0.00 O ATOM 606 CB ASP A 37 9.210 -12.430 -3.407 1.00 0.00 C ATOM 607 CG ASP A 37 10.061 -13.468 -2.667 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.392 -14.474 -3.271 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.362 -13.241 -1.510 1.00 0.00 O ATOM 0 H ASP A 37 7.212 -10.960 -4.267 1.00 0.00 H new ATOM 0 HA ASP A 37 7.523 -13.821 -3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.456 -12.432 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.428 -11.430 -3.031 1.00 0.00 H new ATOM 614 N PRO A 38 6.546 -13.276 -1.145 1.00 0.00 N ATOM 615 CA PRO A 38 6.021 -13.035 0.237 1.00 0.00 C ATOM 616 C PRO A 38 7.118 -13.055 1.330 1.00 0.00 C ATOM 617 O PRO A 38 7.000 -12.356 2.321 1.00 0.00 O ATOM 618 CB PRO A 38 5.062 -14.208 0.447 1.00 0.00 C ATOM 619 CG PRO A 38 5.569 -15.288 -0.442 1.00 0.00 C ATOM 620 CD PRO A 38 6.149 -14.606 -1.644 1.00 0.00 C ATOM 0 HA PRO A 38 5.568 -12.047 0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.052 -14.527 1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.040 -13.932 0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.324 -15.888 0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.764 -15.965 -0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.003 -15.155 -2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.419 -14.528 -2.449 1.00 0.00 H new ATOM 628 N SER A 39 8.149 -13.877 1.186 1.00 0.00 N ATOM 629 CA SER A 39 9.215 -13.968 2.256 1.00 0.00 C ATOM 630 C SER A 39 10.052 -12.686 2.392 1.00 0.00 C ATOM 631 O SER A 39 10.486 -12.367 3.487 1.00 0.00 O ATOM 632 CB SER A 39 10.098 -15.172 1.879 1.00 0.00 C ATOM 633 OG SER A 39 10.907 -14.861 0.751 1.00 0.00 O ATOM 0 H SER A 39 8.296 -14.484 0.379 1.00 0.00 H new ATOM 0 HA SER A 39 8.747 -14.095 3.232 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.730 -15.446 2.724 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.471 -16.036 1.658 1.00 0.00 H new ATOM 0 HG SER A 39 10.424 -14.244 0.162 1.00 0.00 H new ATOM 639 N GLN A 40 10.268 -11.932 1.328 1.00 0.00 N ATOM 640 CA GLN A 40 11.063 -10.664 1.467 1.00 0.00 C ATOM 641 C GLN A 40 10.147 -9.475 1.818 1.00 0.00 C ATOM 642 O GLN A 40 10.590 -8.355 1.779 1.00 0.00 O ATOM 643 CB GLN A 40 11.770 -10.435 0.114 1.00 0.00 C ATOM 644 CG GLN A 40 10.749 -10.067 -0.962 1.00 0.00 C ATOM 645 CD GLN A 40 11.474 -9.646 -2.245 1.00 0.00 C ATOM 646 OE1 GLN A 40 11.638 -8.471 -2.502 1.00 0.00 O ATOM 647 NE2 GLN A 40 11.934 -10.557 -3.061 1.00 0.00 N ATOM 0 H GLN A 40 9.933 -12.138 0.387 1.00 0.00 H new ATOM 0 HA GLN A 40 11.789 -10.747 2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.508 -9.639 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.309 -11.336 -0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.098 -10.917 -1.164 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.113 -9.255 -0.610 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.799 -11.546 -2.850 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.428 -10.279 -3.909 1.00 0.00 H new ATOM 656 N SER A 41 8.878 -9.704 2.135 1.00 0.00 N ATOM 657 CA SER A 41 7.947 -8.561 2.445 1.00 0.00 C ATOM 658 C SER A 41 8.457 -7.689 3.598 1.00 0.00 C ATOM 659 O SER A 41 8.468 -6.479 3.471 1.00 0.00 O ATOM 660 CB SER A 41 6.597 -9.204 2.795 1.00 0.00 C ATOM 661 OG SER A 41 6.717 -10.000 3.971 1.00 0.00 O ATOM 0 H SER A 41 8.455 -10.630 2.191 1.00 0.00 H new ATOM 0 HA SER A 41 7.868 -7.889 1.590 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.846 -8.429 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.254 -9.820 1.964 1.00 0.00 H new ATOM 0 HG SER A 41 6.834 -10.940 3.719 1.00 0.00 H new ATOM 667 N ALA A 42 8.902 -8.267 4.702 1.00 0.00 N ATOM 668 CA ALA A 42 9.442 -7.400 5.810 1.00 0.00 C ATOM 669 C ALA A 42 10.658 -6.635 5.291 1.00 0.00 C ATOM 670 O ALA A 42 10.753 -5.436 5.451 1.00 0.00 O ATOM 671 CB ALA A 42 9.906 -8.332 6.892 1.00 0.00 C ATOM 0 H ALA A 42 8.915 -9.271 4.879 1.00 0.00 H new ATOM 0 HA ALA A 42 8.688 -6.698 6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.309 -7.753 7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.065 -8.932 7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.682 -8.989 6.498 1.00 0.00 H new ATOM 677 N ASN A 43 11.567 -7.344 4.632 1.00 0.00 N ATOM 678 CA ASN A 43 12.772 -6.695 4.028 1.00 0.00 C ATOM 679 C ASN A 43 12.324 -5.608 3.070 1.00 0.00 C ATOM 680 O ASN A 43 12.924 -4.573 3.009 1.00 0.00 O ATOM 681 CB ASN A 43 13.473 -7.775 3.216 1.00 0.00 C ATOM 682 CG ASN A 43 14.541 -8.468 4.067 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.395 -9.621 4.419 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.617 -7.812 4.414 1.00 0.00 N ATOM 0 H ASN A 43 11.514 -8.353 4.492 1.00 0.00 H new ATOM 0 HA ASN A 43 13.417 -6.265 4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.745 -8.507 2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.932 -7.334 2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.333 -8.269 4.980 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.741 -6.843 4.119 1.00 0.00 H new ATOM 691 N LEU A 44 11.254 -5.860 2.334 1.00 0.00 N ATOM 692 CA LEU A 44 10.715 -4.854 1.376 1.00 0.00 C ATOM 693 C LEU A 44 10.267 -3.640 2.111 1.00 0.00 C ATOM 694 O LEU A 44 10.573 -2.537 1.704 1.00 0.00 O ATOM 695 CB LEU A 44 9.547 -5.506 0.673 1.00 0.00 C ATOM 696 CG LEU A 44 10.101 -6.391 -0.412 1.00 0.00 C ATOM 697 CD1 LEU A 44 8.940 -7.081 -1.097 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.904 -5.516 -1.379 1.00 0.00 C ATOM 0 H LEU A 44 10.732 -6.736 2.366 1.00 0.00 H new ATOM 0 HA LEU A 44 11.475 -4.544 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.954 -6.090 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.885 -4.750 0.249 1.00 0.00 H new ATOM 0 HG LEU A 44 10.766 -7.158 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.317 -7.729 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.391 -7.679 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.274 -6.333 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.316 -6.137 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.251 -4.758 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.717 -5.030 -0.840 1.00 0.00 H new ATOM 710 N LEU A 45 9.600 -3.820 3.221 1.00 0.00 N ATOM 711 CA LEU A 45 9.233 -2.622 3.989 1.00 0.00 C ATOM 712 C LEU A 45 10.525 -2.016 4.525 1.00 0.00 C ATOM 713 O LEU A 45 10.732 -0.859 4.368 1.00 0.00 O ATOM 714 CB LEU A 45 8.311 -3.060 5.105 1.00 0.00 C ATOM 715 CG LEU A 45 8.165 -1.932 6.132 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.845 -0.607 5.415 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.044 -2.297 7.098 1.00 0.00 C ATOM 0 H LEU A 45 9.307 -4.717 3.609 1.00 0.00 H new ATOM 0 HA LEU A 45 8.717 -1.873 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.334 -3.323 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.708 -3.954 5.587 1.00 0.00 H new ATOM 0 HG LEU A 45 9.097 -1.805 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.743 0.190 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.653 -0.362 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.913 -0.710 4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.927 -1.504 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.112 -2.418 6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.290 -3.230 7.604 1.00 0.00 H new ATOM 729 N ALA A 46 11.405 -2.802 5.114 1.00 0.00 N ATOM 730 CA ALA A 46 12.707 -2.240 5.626 1.00 0.00 C ATOM 731 C ALA A 46 13.457 -1.490 4.523 1.00 0.00 C ATOM 732 O ALA A 46 13.951 -0.419 4.761 1.00 0.00 O ATOM 733 CB ALA A 46 13.556 -3.443 6.000 1.00 0.00 C ATOM 0 H ALA A 46 11.280 -3.803 5.262 1.00 0.00 H new ATOM 0 HA ALA A 46 12.519 -1.555 6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.519 -3.104 6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.046 -4.024 6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.713 -4.066 5.119 1.00 0.00 H new ATOM 739 N GLU A 47 13.535 -2.040 3.322 1.00 0.00 N ATOM 740 CA GLU A 47 14.236 -1.318 2.219 1.00 0.00 C ATOM 741 C GLU A 47 13.389 -0.101 1.837 1.00 0.00 C ATOM 742 O GLU A 47 13.929 0.950 1.579 1.00 0.00 O ATOM 743 CB GLU A 47 14.493 -2.300 1.062 1.00 0.00 C ATOM 744 CG GLU A 47 13.238 -2.942 0.535 1.00 0.00 C ATOM 745 CD GLU A 47 13.636 -4.149 -0.328 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.746 -5.234 0.222 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.841 -3.969 -1.516 1.00 0.00 O ATOM 0 H GLU A 47 13.145 -2.948 3.070 1.00 0.00 H new ATOM 0 HA GLU A 47 15.215 -0.944 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.991 -1.771 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.176 -3.079 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.599 -3.259 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.665 -2.227 -0.055 1.00 0.00 H new ATOM 754 N ALA A 48 12.065 -0.206 1.883 1.00 0.00 N ATOM 755 CA ALA A 48 11.219 0.992 1.635 1.00 0.00 C ATOM 756 C ALA A 48 11.438 2.011 2.780 1.00 0.00 C ATOM 757 O ALA A 48 11.533 3.197 2.546 1.00 0.00 O ATOM 758 CB ALA A 48 9.803 0.448 1.659 1.00 0.00 C ATOM 0 H ALA A 48 11.554 -1.067 2.081 1.00 0.00 H new ATOM 0 HA ALA A 48 11.445 1.505 0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.098 1.261 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.689 -0.305 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.603 -0.003 2.631 1.00 0.00 H new ATOM 764 N LYS A 49 11.582 1.521 4.009 1.00 0.00 N ATOM 765 CA LYS A 49 11.872 2.389 5.200 1.00 0.00 C ATOM 766 C LYS A 49 13.261 3.001 4.990 1.00 0.00 C ATOM 767 O LYS A 49 13.495 4.175 5.206 1.00 0.00 O ATOM 768 CB LYS A 49 11.911 1.413 6.399 1.00 0.00 C ATOM 769 CG LYS A 49 10.521 0.892 6.757 1.00 0.00 C ATOM 770 CD LYS A 49 9.596 2.044 7.094 1.00 0.00 C ATOM 771 CE LYS A 49 8.385 1.496 7.850 1.00 0.00 C ATOM 772 NZ LYS A 49 8.244 2.341 9.073 1.00 0.00 N ATOM 0 H LYS A 49 11.507 0.528 4.230 1.00 0.00 H new ATOM 0 HA LYS A 49 11.145 3.186 5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.563 0.573 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.343 1.917 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.113 0.322 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.588 0.211 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.118 2.783 7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.276 2.550 6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.486 1.547 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.532 0.449 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.430 2.012 9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.108 2.268 9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.095 3.332 8.795 1.00 0.00 H new ATOM 786 N LYS A 50 14.154 2.162 4.512 1.00 0.00 N ATOM 787 CA LYS A 50 15.557 2.549 4.182 1.00 0.00 C ATOM 788 C LYS A 50 15.531 3.613 3.073 1.00 0.00 C ATOM 789 O LYS A 50 16.274 4.577 3.116 1.00 0.00 O ATOM 790 CB LYS A 50 16.167 1.206 3.716 1.00 0.00 C ATOM 791 CG LYS A 50 17.375 1.374 2.787 1.00 0.00 C ATOM 792 CD LYS A 50 17.448 0.147 1.858 1.00 0.00 C ATOM 793 CE LYS A 50 17.868 -1.103 2.656 1.00 0.00 C ATOM 794 NZ LYS A 50 19.364 -1.095 2.669 1.00 0.00 N ATOM 0 H LYS A 50 13.950 1.179 4.331 1.00 0.00 H new ATOM 0 HA LYS A 50 16.129 2.992 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.468 0.630 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.400 0.627 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.279 2.288 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.292 1.464 3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.478 -0.021 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.162 0.332 1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.468 -1.072 3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.486 -2.011 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.711 -1.921 3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.720 -1.134 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.703 -0.224 3.126 1.00 0.00 H new ATOM 808 N LEU A 51 14.651 3.447 2.102 1.00 0.00 N ATOM 809 CA LEU A 51 14.520 4.447 0.995 1.00 0.00 C ATOM 810 C LEU A 51 13.876 5.724 1.526 1.00 0.00 C ATOM 811 O LEU A 51 14.234 6.811 1.133 1.00 0.00 O ATOM 812 CB LEU A 51 13.593 3.793 -0.039 1.00 0.00 C ATOM 813 CG LEU A 51 14.382 3.142 -1.183 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.709 2.555 -0.697 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.538 2.017 -1.759 1.00 0.00 C ATOM 0 H LEU A 51 14.015 2.652 2.034 1.00 0.00 H new ATOM 0 HA LEU A 51 15.488 4.712 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.976 3.040 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.916 4.544 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 51 14.603 3.905 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.237 2.104 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.322 3.347 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.515 1.795 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.078 1.538 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.331 1.283 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.599 2.423 -2.135 1.00 0.00 H new ATOM 827 N ASN A 52 12.925 5.581 2.426 1.00 0.00 N ATOM 828 CA ASN A 52 12.233 6.763 3.014 1.00 0.00 C ATOM 829 C ASN A 52 13.248 7.697 3.694 1.00 0.00 C ATOM 830 O ASN A 52 13.165 8.900 3.558 1.00 0.00 O ATOM 831 CB ASN A 52 11.258 6.177 4.040 1.00 0.00 C ATOM 832 CG ASN A 52 10.320 7.271 4.539 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.442 7.701 3.826 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.478 7.746 5.742 1.00 0.00 N ATOM 0 H ASN A 52 12.600 4.680 2.778 1.00 0.00 H new ATOM 0 HA ASN A 52 11.720 7.360 2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.682 5.369 3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.809 5.748 4.876 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.861 8.482 6.085 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.219 7.382 6.341 1.00 0.00 H new ATOM 841 N ASP A 53 14.206 7.140 4.410 1.00 0.00 N ATOM 842 CA ASP A 53 15.242 7.991 5.096 1.00 0.00 C ATOM 843 C ASP A 53 16.378 8.373 4.125 1.00 0.00 C ATOM 844 O ASP A 53 16.872 9.486 4.165 1.00 0.00 O ATOM 845 CB ASP A 53 15.795 7.140 6.249 1.00 0.00 C ATOM 846 CG ASP A 53 14.669 6.747 7.226 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.934 7.625 7.658 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.564 5.569 7.526 1.00 0.00 O ATOM 0 H ASP A 53 14.315 6.135 4.548 1.00 0.00 H new ATOM 0 HA ASP A 53 14.805 8.923 5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.267 6.242 5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.567 7.697 6.781 1.00 0.00 H new ATOM 853 N ALA A 54 16.792 7.462 3.260 1.00 0.00 N ATOM 854 CA ALA A 54 17.895 7.772 2.280 1.00 0.00 C ATOM 855 C ALA A 54 17.416 8.809 1.254 1.00 0.00 C ATOM 856 O ALA A 54 18.065 9.818 1.036 1.00 0.00 O ATOM 857 CB ALA A 54 18.221 6.440 1.595 1.00 0.00 C ATOM 0 H ALA A 54 16.412 6.518 3.192 1.00 0.00 H new ATOM 0 HA ALA A 54 18.772 8.193 2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.018 6.591 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.545 5.716 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.332 6.065 1.088 1.00 0.00 H new ATOM 863 N GLN A 55 16.263 8.580 0.653 1.00 0.00 N ATOM 864 CA GLN A 55 15.691 9.558 -0.337 1.00 0.00 C ATOM 865 C GLN A 55 15.199 10.835 0.384 1.00 0.00 C ATOM 866 O GLN A 55 15.073 11.877 -0.235 1.00 0.00 O ATOM 867 CB GLN A 55 14.508 8.853 -1.011 1.00 0.00 C ATOM 868 CG GLN A 55 14.995 7.630 -1.805 1.00 0.00 C ATOM 869 CD GLN A 55 13.813 7.006 -2.546 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.845 6.856 -3.750 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.755 6.642 -1.871 1.00 0.00 N ATOM 0 H GLN A 55 15.691 7.750 0.809 1.00 0.00 H new ATOM 0 HA GLN A 55 16.445 9.860 -1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.785 8.541 -0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.995 9.546 -1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.768 7.927 -2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.443 6.900 -1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.727 6.768 -0.859 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.957 6.232 -2.356 1.00 0.00 H new ATOM 880 N ALA A 56 14.903 10.747 1.680 1.00 0.00 N ATOM 881 CA ALA A 56 14.399 11.941 2.452 1.00 0.00 C ATOM 882 C ALA A 56 15.336 13.148 2.337 1.00 0.00 C ATOM 883 O ALA A 56 16.539 12.995 2.194 1.00 0.00 O ATOM 884 CB ALA A 56 14.331 11.521 3.921 1.00 0.00 C ATOM 0 H ALA A 56 14.992 9.893 2.230 1.00 0.00 H new ATOM 0 HA ALA A 56 13.431 12.240 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.970 12.356 4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.650 10.677 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.325 11.231 4.263 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.373 -6.105 -9.001 1.00 0.00 N ATOM 1015 CA ASN B 6 0.649 -5.373 -8.160 1.00 0.00 C ATOM 1016 C ASN B 6 0.777 -3.915 -8.617 1.00 0.00 C ATOM 1017 O ASN B 6 0.810 -3.009 -7.806 1.00 0.00 O ATOM 1018 CB ASN B 6 1.995 -6.137 -8.273 1.00 0.00 C ATOM 1019 CG ASN B 6 2.343 -6.495 -9.732 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.766 -5.655 -10.497 1.00 0.00 O ATOM 1021 ND2 ASN B 6 2.179 -7.723 -10.149 1.00 0.00 N ATOM 0 HA ASN B 6 0.339 -5.344 -7.115 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.793 -5.527 -7.850 1.00 0.00 H new ATOM 0 HB3 ASN B 6 1.943 -7.050 -7.680 1.00 0.00 H new ATOM 0 HD21 ASN B 6 2.407 -7.969 -11.112 1.00 0.00 H new ATOM 0 HD22 ASN B 6 1.824 -8.435 -9.511 1.00 0.00 H new ATOM 1028 N LYS B 7 0.794 -3.681 -9.908 1.00 0.00 N ATOM 1029 CA LYS B 7 0.861 -2.269 -10.439 1.00 0.00 C ATOM 1030 C LYS B 7 -0.372 -1.484 -9.988 1.00 0.00 C ATOM 1031 O LYS B 7 -0.306 -0.291 -9.746 1.00 0.00 O ATOM 1032 CB LYS B 7 0.882 -2.394 -11.966 1.00 0.00 C ATOM 1033 CG LYS B 7 2.221 -2.990 -12.416 1.00 0.00 C ATOM 1034 CD LYS B 7 2.274 -3.056 -13.946 1.00 0.00 C ATOM 1035 CE LYS B 7 3.592 -3.714 -14.390 1.00 0.00 C ATOM 1036 NZ LYS B 7 3.385 -5.189 -14.241 1.00 0.00 N ATOM 0 H LYS B 7 0.764 -4.406 -10.625 1.00 0.00 H new ATOM 0 HA LYS B 7 1.740 -1.740 -10.071 1.00 0.00 H new ATOM 0 HB2 LYS B 7 0.060 -3.027 -12.300 1.00 0.00 H new ATOM 0 HB3 LYS B 7 0.736 -1.415 -12.423 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.044 -2.382 -12.041 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.344 -3.988 -11.996 1.00 0.00 H new ATOM 0 HD2 LYS B 7 1.426 -3.626 -14.325 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.197 -2.053 -14.366 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.829 -3.455 -15.422 1.00 0.00 H new ATOM 0 HE3 LYS B 7 4.425 -3.373 -13.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 4.217 -5.612 -13.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.542 -5.364 -13.657 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 3.251 -5.617 -15.179 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.482 -2.167 -9.856 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.741 -1.514 -9.393 1.00 0.00 C ATOM 1052 C GLU B 8 -2.605 -1.007 -7.963 1.00 0.00 C ATOM 1053 O GLU B 8 -3.191 -0.012 -7.626 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.820 -2.599 -9.470 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.721 -2.356 -10.680 1.00 0.00 C ATOM 1056 CD GLU B 8 -6.150 -2.826 -10.367 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.378 -4.026 -10.366 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -6.992 -1.975 -10.126 1.00 0.00 O ATOM 0 H GLU B 8 -1.568 -3.164 -10.053 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.985 -0.648 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.354 -3.582 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.415 -2.597 -8.557 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.725 -1.296 -10.935 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.334 -2.892 -11.547 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.828 -1.662 -7.127 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.671 -1.159 -5.719 1.00 0.00 C ATOM 1067 C LEU B 9 -0.840 0.119 -5.697 1.00 0.00 C ATOM 1068 O LEU B 9 -0.989 0.932 -4.806 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.980 -2.226 -4.882 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.616 -3.607 -5.072 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.622 -4.691 -4.602 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.900 -3.649 -4.228 1.00 0.00 C ATOM 0 H LEU B 9 -1.304 -2.508 -7.352 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.657 -0.941 -5.309 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.075 -2.272 -5.153 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.027 -1.947 -3.829 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.855 -3.791 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.069 -5.676 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.293 -4.625 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.388 -4.538 -3.549 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.378 -4.622 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.651 -3.487 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.582 -2.868 -4.564 1.00 0.00 H new ATOM 1084 N SER B 10 0.015 0.321 -6.678 1.00 0.00 N ATOM 1085 CA SER B 10 0.807 1.582 -6.714 1.00 0.00 C ATOM 1086 C SER B 10 -0.176 2.752 -6.916 1.00 0.00 C ATOM 1087 O SER B 10 -0.105 3.748 -6.227 1.00 0.00 O ATOM 1088 CB SER B 10 1.764 1.426 -7.898 1.00 0.00 C ATOM 1089 OG SER B 10 2.293 2.693 -8.267 1.00 0.00 O ATOM 0 H SER B 10 0.192 -0.329 -7.444 1.00 0.00 H new ATOM 0 HA SER B 10 1.371 1.778 -5.802 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.575 0.747 -7.634 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.239 0.982 -8.744 1.00 0.00 H new ATOM 0 HG SER B 10 2.762 2.615 -9.124 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.118 2.602 -7.837 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.135 3.683 -8.094 1.00 0.00 C ATOM 1097 C VAL B 11 -3.304 3.576 -7.090 1.00 0.00 C ATOM 1098 O VAL B 11 -3.605 4.521 -6.379 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.628 3.450 -9.541 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.483 4.637 -9.993 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.429 3.293 -10.492 1.00 0.00 C ATOM 0 H VAL B 11 -1.222 1.772 -8.421 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.710 4.679 -7.972 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.225 2.538 -9.566 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.828 4.469 -11.013 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.343 4.739 -9.331 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.887 5.549 -9.957 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.789 3.129 -11.508 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.821 4.197 -10.464 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.826 2.441 -10.179 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.949 2.421 -7.032 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.100 2.202 -6.085 1.00 0.00 C ATOM 1113 C ALA B 12 -4.644 2.336 -4.639 1.00 0.00 C ATOM 1114 O ALA B 12 -5.198 3.103 -3.878 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.597 0.766 -6.347 1.00 0.00 C ATOM 0 H ALA B 12 -3.720 1.612 -7.610 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.885 2.941 -6.245 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.436 0.545 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.918 0.676 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.789 0.060 -6.155 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.627 1.601 -4.280 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.084 1.629 -2.896 1.00 0.00 C ATOM 1123 C GLY B 13 -2.636 3.021 -2.511 1.00 0.00 C ATOM 1124 O GLY B 13 -2.998 3.505 -1.455 1.00 0.00 O ATOM 0 H GLY B 13 -3.138 0.965 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.845 1.283 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.243 0.939 -2.819 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.825 3.647 -3.333 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.322 5.005 -2.968 1.00 0.00 C ATOM 1130 C ARG B 14 -2.468 6.013 -2.708 1.00 0.00 C ATOM 1131 O ARG B 14 -2.437 6.727 -1.732 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.475 5.487 -4.129 1.00 0.00 C ATOM 1133 CG ARG B 14 0.065 6.874 -3.788 1.00 0.00 C ATOM 1134 CD ARG B 14 1.582 6.847 -3.764 1.00 0.00 C ATOM 1135 NE ARG B 14 2.007 6.453 -5.144 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.200 7.364 -6.064 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.410 7.812 -6.293 1.00 0.00 N ATOM 1138 NH2 ARG B 14 1.183 7.824 -6.753 1.00 0.00 N ATOM 0 H ARG B 14 -1.496 3.281 -4.226 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.752 4.939 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.347 4.795 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -1.069 5.525 -5.042 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -0.283 7.600 -4.523 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -0.317 7.194 -2.819 1.00 0.00 H new ATOM 0 HD2 ARG B 14 1.986 7.823 -3.495 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.948 6.135 -3.024 1.00 0.00 H new ATOM 0 HE ARG B 14 2.147 5.468 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.198 7.451 -5.755 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.564 8.522 -7.009 1.00 0.00 H new ATOM 0 HH21 ARG B 14 0.243 7.472 -6.572 1.00 0.00 H new ATOM 0 HH22 ARG B 14 1.332 8.534 -7.470 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.464 6.084 -3.562 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.585 7.069 -3.322 1.00 0.00 C ATOM 1154 C GLU B 15 -5.368 6.698 -2.044 1.00 0.00 C ATOM 1155 O GLU B 15 -5.709 7.562 -1.260 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.471 6.990 -4.562 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.771 7.640 -5.769 1.00 0.00 C ATOM 1158 CD GLU B 15 -4.502 9.128 -5.496 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.462 9.867 -5.318 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -3.342 9.500 -5.461 1.00 0.00 O ATOM 0 H GLU B 15 -3.555 5.515 -4.404 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.214 8.082 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.701 5.948 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.419 7.492 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -3.832 7.126 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -5.392 7.534 -6.658 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.602 5.417 -1.825 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.315 4.920 -0.582 1.00 0.00 C ATOM 1169 C ILE B 16 -5.491 5.248 0.679 1.00 0.00 C ATOM 1170 O ILE B 16 -6.032 5.480 1.748 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.398 3.391 -0.780 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.365 3.089 -1.937 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.905 2.697 0.495 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.163 1.668 -2.455 1.00 0.00 C ATOM 0 H ILE B 16 -5.324 4.676 -2.468 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.293 5.383 -0.448 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.401 3.013 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.394 3.215 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.205 3.802 -2.746 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.954 1.621 0.329 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.223 2.906 1.319 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.898 3.072 0.743 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -7.858 1.477 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.140 1.553 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.347 0.957 -1.649 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.187 5.241 0.546 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.276 5.525 1.694 1.00 0.00 C ATOM 1188 C VAL B 17 -2.976 7.038 1.832 1.00 0.00 C ATOM 1189 O VAL B 17 -2.440 7.457 2.846 1.00 0.00 O ATOM 1190 CB VAL B 17 -2.022 4.691 1.350 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -1.136 5.364 0.312 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.220 4.380 2.585 1.00 0.00 C ATOM 0 H VAL B 17 -3.707 5.045 -0.332 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.700 5.260 2.663 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.386 3.760 0.916 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.270 4.734 0.109 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.701 5.512 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.801 6.330 0.691 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.344 3.792 2.311 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -0.901 5.310 3.055 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -1.834 3.812 3.284 1.00 0.00 H new ATOM 1202 N THR B 18 -3.280 7.852 0.824 1.00 0.00 N ATOM 1203 CA THR B 18 -2.961 9.322 0.918 1.00 0.00 C ATOM 1204 C THR B 18 -4.187 10.248 0.829 1.00 0.00 C ATOM 1205 O THR B 18 -3.999 11.457 0.853 1.00 0.00 O ATOM 1206 CB THR B 18 -2.005 9.626 -0.254 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.662 9.386 -1.495 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.758 8.747 -0.149 1.00 0.00 C ATOM 0 H THR B 18 -3.729 7.560 -0.044 1.00 0.00 H new ATOM 0 HA THR B 18 -2.528 9.519 1.899 1.00 0.00 H new ATOM 0 HB THR B 18 -1.709 10.674 -0.206 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.404 8.505 -1.837 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.087 8.967 -0.980 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.248 8.950 0.793 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.049 7.697 -0.185 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.429 9.763 0.727 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.565 10.762 0.647 1.00 0.00 C ATOM 1218 C LEU B 19 -6.634 11.596 1.960 1.00 0.00 C ATOM 1219 O LEU B 19 -6.273 11.115 3.023 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.866 10.019 0.308 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.183 8.899 1.291 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.653 9.006 1.642 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.925 7.541 0.632 1.00 0.00 C ATOM 0 H LEU B 19 -5.689 8.777 0.698 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.397 11.482 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.692 10.730 0.297 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.790 9.603 -0.697 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.558 8.984 2.180 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.917 8.217 2.346 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.849 9.978 2.095 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.252 8.900 0.737 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.153 6.744 1.340 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.559 7.437 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.878 7.474 0.335 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.982 12.866 1.799 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.957 13.857 2.931 1.00 0.00 C ATOM 1237 C PRO B 20 -8.038 13.676 4.012 1.00 0.00 C ATOM 1238 O PRO B 20 -7.785 13.973 5.168 1.00 0.00 O ATOM 1239 CB PRO B 20 -7.153 15.198 2.223 1.00 0.00 C ATOM 1240 CG PRO B 20 -7.869 14.875 0.953 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.456 13.486 0.551 1.00 0.00 C ATOM 0 HA PRO B 20 -6.030 13.747 3.493 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -7.734 15.886 2.838 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -6.196 15.680 2.023 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -8.948 14.930 1.095 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -7.613 15.593 0.174 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.292 12.931 0.125 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.670 13.509 -0.204 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.232 13.246 3.667 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.311 13.120 4.720 1.00 0.00 C ATOM 1251 C ASN B 21 -10.367 11.722 5.362 1.00 0.00 C ATOM 1252 O ASN B 21 -11.294 11.432 6.105 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.631 13.424 4.007 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.688 14.872 3.488 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -10.851 15.697 3.809 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.667 15.218 2.699 1.00 0.00 N ATOM 0 H ASN B 21 -9.509 12.980 2.722 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.107 13.809 5.539 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.759 12.735 3.172 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.461 13.252 4.692 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.729 16.176 2.354 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.370 14.531 2.427 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.407 10.856 5.100 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.444 9.491 5.717 1.00 0.00 C ATOM 1265 C LEU B 22 -8.641 9.448 7.011 1.00 0.00 C ATOM 1266 O LEU B 22 -7.739 10.238 7.239 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.810 8.547 4.701 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.096 7.072 5.028 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.607 6.803 5.071 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.455 6.198 3.945 1.00 0.00 C ATOM 0 H LEU B 22 -8.609 11.037 4.491 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.469 9.212 5.959 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.190 8.778 3.706 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.733 8.711 4.677 1.00 0.00 H new ATOM 0 HG LEU B 22 -8.679 6.837 6.007 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -10.783 5.753 5.304 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.066 7.427 5.838 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -11.046 7.038 4.101 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -8.649 5.148 4.163 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.880 6.452 2.974 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.379 6.372 3.927 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.956 8.486 7.825 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.217 8.288 9.120 1.00 0.00 C ATOM 1284 C ASN B 23 -7.313 7.046 9.022 1.00 0.00 C ATOM 1285 O ASN B 23 -7.536 6.172 8.202 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.280 8.165 10.234 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.199 6.943 10.044 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.245 6.351 8.991 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.952 6.550 11.033 1.00 0.00 N ATOM 0 H ASN B 23 -9.703 7.813 7.655 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.559 9.127 9.346 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.781 8.093 11.201 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.886 9.071 10.255 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.573 5.749 10.914 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.920 7.043 11.925 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.270 6.995 9.827 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.282 5.853 9.770 1.00 0.00 C ATOM 1298 C ASP B 24 -5.891 4.423 9.898 1.00 0.00 C ATOM 1299 O ASP B 24 -5.375 3.532 9.246 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.216 6.126 10.862 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.809 6.098 12.276 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.313 7.123 12.709 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.739 5.054 12.905 1.00 0.00 O ATOM 0 H ASP B 24 -6.057 7.703 10.530 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.849 5.835 8.770 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.424 5.380 10.788 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.756 7.098 10.683 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.931 4.201 10.710 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.489 2.819 10.833 1.00 0.00 C ATOM 1310 C PRO B 25 -8.252 2.374 9.565 1.00 0.00 C ATOM 1311 O PRO B 25 -8.166 1.215 9.188 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.431 2.907 12.032 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.826 4.344 12.111 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.677 5.150 11.567 1.00 0.00 C ATOM 0 HA PRO B 25 -6.700 2.077 10.959 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.302 2.266 11.897 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.935 2.583 12.947 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.732 4.527 11.533 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -9.042 4.628 13.141 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -8.030 6.008 10.995 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -7.049 5.538 12.369 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.998 3.259 8.902 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.744 2.818 7.674 1.00 0.00 C ATOM 1324 C GLN B 26 -8.767 2.541 6.531 1.00 0.00 C ATOM 1325 O GLN B 26 -8.848 1.488 5.934 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.755 3.916 7.344 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.837 3.920 8.441 1.00 0.00 C ATOM 1328 CD GLN B 26 -13.056 4.725 7.996 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -14.115 4.170 7.792 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.961 6.016 7.834 1.00 0.00 N ATOM 0 H GLN B 26 -9.114 4.239 9.159 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.278 1.882 7.839 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.260 4.886 7.295 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.205 3.738 6.367 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.135 2.896 8.669 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.430 4.345 9.358 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -12.073 6.487 8.004 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.775 6.554 7.537 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.811 3.430 6.254 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.797 3.126 5.170 1.00 0.00 C ATOM 1341 C LYS B 27 -6.056 1.832 5.508 1.00 0.00 C ATOM 1342 O LYS B 27 -5.715 1.076 4.632 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.773 4.269 5.073 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.301 4.797 6.437 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.610 6.152 6.232 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.652 7.248 5.953 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.191 8.450 6.710 1.00 0.00 N ATOM 0 H LYS B 27 -7.695 4.329 6.722 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.321 3.020 4.220 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.907 3.922 4.509 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.213 5.091 4.508 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.149 4.904 7.114 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.613 4.089 6.898 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.030 6.410 7.118 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.909 6.088 5.400 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.720 7.460 4.886 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.644 6.937 6.280 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.972 9.132 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.884 8.164 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.395 8.892 6.208 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.823 1.581 6.778 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.128 0.321 7.200 1.00 0.00 C ATOM 1363 C LYS B 28 -5.918 -0.893 6.686 1.00 0.00 C ATOM 1364 O LYS B 28 -5.412 -1.668 5.902 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.130 0.338 8.740 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.702 0.393 9.257 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.126 -1.018 9.319 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.595 -0.959 9.240 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.099 -2.148 9.998 1.00 0.00 N ATOM 0 H LYS B 28 -6.087 2.200 7.544 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.115 0.257 6.803 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.691 1.199 9.102 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.631 -0.552 9.122 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.092 1.017 8.604 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.680 0.850 10.247 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.433 -1.505 10.244 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.519 -1.617 8.498 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.256 -0.987 8.204 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.217 -0.033 9.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -0.124 -1.975 10.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.709 -2.312 10.824 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -1.118 -2.985 9.382 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.171 -1.032 7.093 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.019 -2.176 6.599 1.00 0.00 C ATOM 1385 C ALA B 29 -8.216 -2.067 5.072 1.00 0.00 C ATOM 1386 O ALA B 29 -8.310 -3.067 4.384 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.362 -2.034 7.324 1.00 0.00 C ATOM 0 H ALA B 29 -7.639 -0.402 7.745 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.556 -3.143 6.797 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.031 -2.836 7.012 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.202 -2.093 8.401 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.809 -1.071 7.076 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.264 -0.851 4.552 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.439 -0.631 3.075 1.00 0.00 C ATOM 1395 C PHE B 30 -7.235 -1.158 2.306 1.00 0.00 C ATOM 1396 O PHE B 30 -7.378 -1.960 1.408 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.514 0.890 2.892 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.850 1.270 2.349 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.098 1.130 0.988 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.836 1.767 3.206 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.347 1.490 0.474 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -12.081 2.124 2.697 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.338 1.987 1.334 1.00 0.00 C ATOM 0 H PHE B 30 -8.188 0.006 5.100 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.325 -1.147 2.705 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.344 1.389 3.846 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.728 1.223 2.214 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.331 0.746 0.332 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.632 1.874 4.261 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.549 1.386 -0.582 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.846 2.506 3.356 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.304 2.265 0.938 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.057 -0.710 2.662 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.831 -1.184 1.972 1.00 0.00 C ATOM 1415 C ILE B 31 -4.694 -2.700 2.206 1.00 0.00 C ATOM 1416 O ILE B 31 -4.356 -3.434 1.303 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.648 -0.436 2.631 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.539 1.030 2.112 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.326 -1.188 2.364 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.080 1.446 2.057 1.00 0.00 C ATOM 0 H ILE B 31 -5.897 -0.032 3.407 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.860 -0.997 0.899 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.834 -0.401 3.704 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -3.987 1.110 1.122 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.094 1.701 2.768 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.501 -0.652 2.833 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.389 -2.193 2.781 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.154 -1.251 1.290 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.007 2.471 1.694 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.646 1.383 3.055 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.538 0.783 1.383 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.948 -3.158 3.424 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.832 -4.618 3.734 1.00 0.00 C ATOM 1434 C PHE B 32 -5.850 -5.427 2.891 1.00 0.00 C ATOM 1435 O PHE B 32 -5.529 -6.510 2.443 1.00 0.00 O ATOM 1436 CB PHE B 32 -5.036 -4.763 5.265 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.702 -4.525 5.994 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -3.011 -3.288 5.862 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.124 -5.547 6.805 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.800 -3.104 6.508 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.912 -5.319 7.435 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.258 -4.116 7.286 1.00 0.00 C ATOM 0 H PHE B 32 -5.230 -2.574 4.211 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.856 -5.024 3.468 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.782 -4.048 5.611 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.416 -5.758 5.498 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.430 -2.495 5.260 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.629 -6.494 6.927 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.274 -2.166 6.405 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.475 -6.092 8.049 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.311 -3.959 7.781 1.00 0.00 H new ATOM 1452 N SER B 33 -7.042 -4.893 2.597 1.00 0.00 N ATOM 1453 CA SER B 33 -7.995 -5.650 1.698 1.00 0.00 C ATOM 1454 C SER B 33 -7.515 -5.492 0.234 1.00 0.00 C ATOM 1455 O SER B 33 -7.585 -6.415 -0.557 1.00 0.00 O ATOM 1456 CB SER B 33 -9.392 -5.040 1.913 1.00 0.00 C ATOM 1457 OG SER B 33 -9.411 -3.687 1.491 1.00 0.00 O ATOM 0 H SER B 33 -7.380 -3.992 2.934 1.00 0.00 H new ATOM 0 HA SER B 33 -8.029 -6.716 1.924 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.135 -5.612 1.357 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.665 -5.103 2.966 1.00 0.00 H new ATOM 0 HG SER B 33 -8.515 -3.301 1.589 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.977 -4.322 -0.092 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.410 -4.040 -1.462 1.00 0.00 C ATOM 1465 C LEU B 34 -5.199 -4.961 -1.715 1.00 0.00 C ATOM 1466 O LEU B 34 -5.027 -5.465 -2.809 1.00 0.00 O ATOM 1467 CB LEU B 34 -6.056 -2.529 -1.383 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.008 -2.070 -2.391 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.689 -1.598 -3.689 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.245 -0.894 -1.774 1.00 0.00 C ATOM 0 H LEU B 34 -6.908 -3.536 0.554 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.081 -4.238 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.966 -1.948 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.698 -2.305 -0.378 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.335 -2.894 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.930 -1.273 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.261 -2.420 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.358 -0.767 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.487 -0.544 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.940 -0.083 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.764 -1.217 -0.851 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.395 -5.216 -0.698 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.227 -6.139 -0.855 1.00 0.00 C ATOM 1484 C TRP B 35 -3.695 -7.597 -1.030 1.00 0.00 C ATOM 1485 O TRP B 35 -3.171 -8.320 -1.854 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.412 -6.035 0.435 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.196 -6.881 0.258 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.944 -8.044 0.895 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.091 -6.672 -0.654 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.241 -8.555 0.432 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.815 -7.738 -0.515 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.209 -5.662 -1.572 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 1.982 -7.798 -1.267 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.381 -5.720 -2.323 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.261 -6.781 -2.169 1.00 0.00 C ATOM 0 H TRP B 35 -4.504 -4.819 0.235 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.646 -5.863 -1.735 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.135 -5.000 0.633 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.997 -6.377 1.289 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.573 -8.498 1.647 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.648 -9.434 0.751 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.471 -4.833 -1.700 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.664 -8.627 -1.151 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.606 -4.934 -3.029 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.168 -6.816 -2.754 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.659 -8.032 -0.235 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.148 -9.447 -0.319 1.00 0.00 C ATOM 1508 C ASP B 36 -5.805 -9.698 -1.673 1.00 0.00 C ATOM 1509 O ASP B 36 -5.524 -10.690 -2.321 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.164 -9.610 0.822 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.112 -11.045 1.351 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -6.799 -11.887 0.795 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.381 -11.279 2.301 1.00 0.00 O ATOM 0 H ASP B 36 -5.126 -7.460 0.469 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.332 -10.164 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.941 -8.907 1.625 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.168 -9.379 0.465 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.659 -8.797 -2.115 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.313 -8.979 -3.436 1.00 0.00 C ATOM 1520 C ASP B 37 -7.341 -7.653 -4.209 1.00 0.00 C ATOM 1521 O ASP B 37 -8.346 -6.956 -4.207 1.00 0.00 O ATOM 1522 CB ASP B 37 -8.731 -9.503 -3.147 1.00 0.00 C ATOM 1523 CG ASP B 37 -8.656 -10.940 -2.615 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.404 -11.834 -3.407 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -8.845 -11.120 -1.423 1.00 0.00 O ATOM 0 H ASP B 37 -6.924 -7.950 -1.612 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.768 -9.685 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.224 -8.861 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.332 -9.473 -4.056 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.236 -7.350 -4.879 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.153 -6.110 -5.697 1.00 0.00 C ATOM 1532 C PRO B 38 -7.060 -6.173 -6.943 1.00 0.00 C ATOM 1533 O PRO B 38 -7.155 -5.204 -7.671 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.697 -6.018 -6.092 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.207 -7.427 -6.037 1.00 0.00 C ATOM 1536 CD PRO B 38 -4.975 -8.101 -4.935 1.00 0.00 C ATOM 0 HA PRO B 38 -6.496 -5.238 -5.140 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.582 -5.596 -7.090 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.140 -5.377 -5.409 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.370 -7.932 -6.989 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.136 -7.458 -5.839 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.146 -9.155 -5.153 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.439 -8.055 -3.987 1.00 0.00 H new ATOM 1544 N SER B 39 -7.772 -7.270 -7.170 1.00 0.00 N ATOM 1545 CA SER B 39 -8.730 -7.320 -8.325 1.00 0.00 C ATOM 1546 C SER B 39 -9.779 -6.210 -8.097 1.00 0.00 C ATOM 1547 O SER B 39 -10.250 -5.579 -9.025 1.00 0.00 O ATOM 1548 CB SER B 39 -9.375 -8.705 -8.256 1.00 0.00 C ATOM 1549 OG SER B 39 -9.479 -9.247 -9.565 1.00 0.00 O ATOM 0 H SER B 39 -7.726 -8.120 -6.607 1.00 0.00 H new ATOM 0 HA SER B 39 -8.262 -7.165 -9.297 1.00 0.00 H new ATOM 0 HB2 SER B 39 -8.779 -9.364 -7.625 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.363 -8.635 -7.801 1.00 0.00 H new ATOM 0 HG SER B 39 -9.891 -10.135 -9.520 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.093 -5.949 -6.828 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.053 -4.856 -6.457 1.00 0.00 C ATOM 1557 C GLN B 40 -10.285 -3.533 -6.204 1.00 0.00 C ATOM 1558 O GLN B 40 -10.866 -2.600 -5.698 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.722 -5.270 -5.119 1.00 0.00 C ATOM 1560 CG GLN B 40 -11.980 -6.781 -4.996 1.00 0.00 C ATOM 1561 CD GLN B 40 -12.766 -7.322 -6.199 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -12.456 -8.494 -6.685 1.00 0.00 O flip ATOM 1563 NE2 GLN B 40 -13.677 -6.684 -6.693 1.00 0.00 N flip ATOM 0 H GLN B 40 -9.713 -6.461 -6.032 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.778 -4.710 -7.258 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.088 -4.951 -4.292 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.669 -4.740 -5.018 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.029 -7.307 -4.916 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.534 -6.982 -4.079 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.922 -5.768 -6.316 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.196 -7.065 -7.484 1.00 0.00 H new ATOM 1572 N SER B 41 -8.989 -3.451 -6.513 1.00 0.00 N ATOM 1573 CA SER B 41 -8.197 -2.191 -6.244 1.00 0.00 C ATOM 1574 C SER B 41 -8.853 -0.961 -6.881 1.00 0.00 C ATOM 1575 O SER B 41 -8.897 0.092 -6.269 1.00 0.00 O ATOM 1576 CB SER B 41 -6.825 -2.397 -6.853 1.00 0.00 C ATOM 1577 OG SER B 41 -6.053 -3.259 -6.037 1.00 0.00 O ATOM 0 H SER B 41 -8.453 -4.207 -6.940 1.00 0.00 H new ATOM 0 HA SER B 41 -8.147 -2.011 -5.170 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.923 -2.821 -7.852 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.319 -1.438 -6.962 1.00 0.00 H new ATOM 0 HG SER B 41 -5.169 -3.387 -6.441 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.389 -1.090 -8.087 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.078 0.079 -8.736 1.00 0.00 C ATOM 1585 C ALA B 42 -11.259 0.495 -7.844 1.00 0.00 C ATOM 1586 O ALA B 42 -11.437 1.664 -7.547 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.569 -0.428 -10.099 1.00 0.00 C ATOM 0 H ALA B 42 -9.377 -1.947 -8.640 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.427 0.944 -8.864 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.081 0.378 -10.624 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.717 -0.763 -10.691 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.258 -1.260 -9.951 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.025 -0.478 -7.370 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.155 -0.188 -6.444 1.00 0.00 C ATOM 1595 C ASN B 43 -12.612 0.298 -5.083 1.00 0.00 C ATOM 1596 O ASN B 43 -13.193 1.162 -4.476 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.914 -1.514 -6.284 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.236 -1.265 -5.550 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.202 -0.828 -6.143 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.315 -1.517 -4.272 1.00 0.00 N ATOM 0 H ASN B 43 -11.903 -1.465 -7.596 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.806 0.597 -6.829 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.107 -1.954 -7.262 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.306 -2.228 -5.727 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.187 -1.347 -3.772 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.504 -1.884 -3.773 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.492 -0.247 -4.620 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.890 0.186 -3.304 1.00 0.00 C ATOM 1609 C LEU B 44 -10.523 1.658 -3.358 1.00 0.00 C ATOM 1610 O LEU B 44 -10.894 2.427 -2.501 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.637 -0.667 -3.140 1.00 0.00 C ATOM 1612 CG LEU B 44 -9.997 -1.955 -2.418 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.163 -3.108 -2.986 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.719 -1.753 -0.922 1.00 0.00 C ATOM 0 H LEU B 44 -10.970 -0.977 -5.104 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.582 0.057 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.206 -0.892 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.882 -0.120 -2.576 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.049 -2.203 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.420 -4.032 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.371 -3.218 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.103 -2.895 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.969 -2.664 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.664 -1.522 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.326 -0.929 -0.547 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.823 2.035 -4.388 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.432 3.465 -4.597 1.00 0.00 C ATOM 1628 C LEU B 45 -10.699 4.338 -4.570 1.00 0.00 C ATOM 1629 O LEU B 45 -10.748 5.354 -3.898 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.765 3.481 -5.989 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.498 4.915 -6.467 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.036 5.780 -5.301 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.407 4.888 -7.540 1.00 0.00 C ATOM 0 H LEU B 45 -9.495 1.399 -5.115 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.761 3.853 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.826 2.928 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.406 2.970 -6.707 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.417 5.334 -6.877 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.850 6.795 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.809 5.798 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.118 5.367 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.211 5.903 -7.885 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.494 4.465 -7.120 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.738 4.277 -8.380 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.729 3.909 -5.267 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.024 4.658 -5.274 1.00 0.00 C ATOM 1647 C ALA B 46 -13.619 4.675 -3.857 1.00 0.00 C ATOM 1648 O ALA B 46 -14.024 5.704 -3.356 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.923 3.835 -6.187 1.00 0.00 C ATOM 0 H ALA B 46 -11.724 3.063 -5.836 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.912 5.691 -5.602 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.903 4.308 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.478 3.777 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.033 2.830 -5.780 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.641 3.520 -3.223 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.167 3.374 -1.833 1.00 0.00 C ATOM 1657 C GLU B 47 -13.361 4.239 -0.850 1.00 0.00 C ATOM 1658 O GLU B 47 -13.910 4.785 0.087 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.000 1.875 -1.511 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.109 1.052 -2.199 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.500 1.546 -1.768 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.787 1.519 -0.581 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.258 1.935 -2.640 1.00 0.00 O ATOM 0 H GLU B 47 -13.303 2.648 -3.631 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.203 3.702 -1.746 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -13.022 1.531 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -14.040 1.721 -0.433 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -15.009 1.131 -3.281 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -14.997 -0.002 -1.945 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.070 4.380 -1.085 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.202 5.229 -0.203 1.00 0.00 C ATOM 1672 C ALA B 48 -11.626 6.697 -0.351 1.00 0.00 C ATOM 1673 O ALA B 48 -11.869 7.378 0.627 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.763 5.008 -0.708 1.00 0.00 C ATOM 0 H ALA B 48 -11.579 3.936 -1.861 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.285 4.971 0.853 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.072 5.600 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.506 3.952 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.692 5.316 -1.751 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.756 7.167 -1.583 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.204 8.582 -1.837 1.00 0.00 C ATOM 1682 C LYS B 49 -13.640 8.776 -1.317 1.00 0.00 C ATOM 1683 O LYS B 49 -13.936 9.757 -0.672 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.153 8.766 -3.363 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.700 8.668 -3.854 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.645 8.893 -5.369 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.244 8.536 -5.891 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.749 9.749 -6.609 1.00 0.00 N ATOM 0 H LYS B 49 -11.569 6.624 -2.426 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.573 9.310 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.763 8.005 -3.850 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.574 9.734 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.084 9.409 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.289 7.689 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.397 8.280 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.877 9.932 -5.601 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.578 8.270 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.284 7.676 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.798 9.565 -6.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.394 9.976 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.710 10.551 -5.949 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.527 7.829 -1.581 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.949 7.933 -1.086 1.00 0.00 C ATOM 1704 C LYS B 50 -15.982 7.957 0.454 1.00 0.00 C ATOM 1705 O LYS B 50 -16.732 8.715 1.047 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.665 6.678 -1.611 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.894 6.795 -3.124 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.328 5.437 -3.692 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.773 5.127 -3.267 1.00 0.00 C ATOM 1710 NZ LYS B 50 -19.136 3.866 -3.981 1.00 0.00 N ATOM 0 H LYS B 50 -14.324 6.987 -2.120 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.428 8.848 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.069 5.792 -1.393 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.619 6.554 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.658 7.545 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.980 7.129 -3.614 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.254 5.448 -4.779 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.659 4.654 -3.335 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.846 5.002 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.446 5.940 -3.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -20.145 3.661 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -18.952 3.978 -4.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.564 3.080 -3.611 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.162 7.140 1.095 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.112 7.104 2.597 1.00 0.00 C ATOM 1726 C LEU B 51 -14.610 8.440 3.169 1.00 0.00 C ATOM 1727 O LEU B 51 -15.091 8.886 4.199 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.147 5.956 2.948 1.00 0.00 C ATOM 1729 CG LEU B 51 -13.936 5.873 4.467 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.285 5.744 5.192 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.071 4.651 4.777 1.00 0.00 C ATOM 0 H LEU B 51 -14.522 6.493 0.634 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.101 6.945 3.026 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.547 5.012 2.579 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.190 6.113 2.450 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.443 6.782 4.812 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.116 5.686 6.267 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -15.903 6.613 4.968 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -15.794 4.841 4.856 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -12.913 4.580 5.853 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -13.574 3.750 4.424 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.108 4.750 4.275 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.659 9.082 2.510 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.134 10.395 3.009 1.00 0.00 C ATOM 1745 C ASN B 52 -14.295 11.418 3.121 1.00 0.00 C ATOM 1746 O ASN B 52 -14.300 12.255 3.999 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.038 10.795 1.973 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.418 11.968 1.031 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.503 12.051 0.507 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.524 12.865 0.757 1.00 0.00 N ATOM 0 H ASN B 52 -13.228 8.747 1.648 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.705 10.352 4.010 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.130 11.063 2.513 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.801 9.923 1.364 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.743 13.622 0.110 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.601 12.814 1.189 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.276 11.329 2.232 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.442 12.270 2.258 1.00 0.00 C ATOM 1759 C ASP B 53 -17.320 12.043 3.502 1.00 0.00 C ATOM 1760 O ASP B 53 -17.888 12.980 4.037 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.246 11.962 0.989 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.284 13.065 0.749 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.916 14.093 0.204 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.430 12.863 1.117 1.00 0.00 O ATOM 0 H ASP B 53 -15.310 10.634 1.486 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.106 13.306 2.297 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.576 11.888 0.132 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.744 10.997 1.088 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.438 10.805 3.954 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.283 10.498 5.159 1.00 0.00 C ATOM 1771 C ALA B 54 -17.718 11.186 6.416 1.00 0.00 C ATOM 1772 O ALA B 54 -18.464 11.607 7.283 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.224 8.974 5.296 1.00 0.00 C ATOM 0 H ALA B 54 -16.982 9.995 3.535 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.305 10.862 5.049 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.817 8.663 6.156 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.623 8.512 4.393 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.189 8.661 5.437 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.409 11.309 6.502 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.762 11.976 7.678 1.00 0.00 C ATOM 1781 C GLN B 55 -15.617 13.489 7.429 1.00 0.00 C ATOM 1782 O GLN B 55 -15.781 14.287 8.334 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.395 11.296 7.777 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.566 9.877 8.331 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.252 9.126 8.175 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.689 8.642 9.135 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.731 9.024 6.987 1.00 0.00 N ATOM 0 H GLN B 55 -15.756 10.970 5.796 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.341 11.879 8.596 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.924 11.260 6.795 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.736 11.874 8.425 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.856 9.915 9.381 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.363 9.358 7.798 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.209 9.433 6.184 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.845 8.535 6.859 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.299 13.876 6.205 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.122 15.327 5.863 1.00 0.00 C ATOM 1798 C ALA B 56 -15.593 15.604 4.424 1.00 0.00 C ATOM 1799 O ALA B 56 -15.559 14.718 3.603 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.620 15.548 5.970 1.00 0.00 C ATOM 0 H ALA B 56 -15.154 13.237 5.424 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.698 15.984 6.515 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.388 16.587 5.736 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.290 15.321 6.984 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.105 14.894 5.266 1.00 0.00 H new