USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=29 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 180:sc= 0 USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0.82) USER MOD Set 2.2: A 63 GLN : amide:sc= 0.824 K(o=0.82,f=-7.4!) USER MOD Set 3.1: A 46 MET CE :methyl -135:sc= -1.31 (180deg=-1.44) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 162:sc= 0.997 (180deg=0.319) USER MOD Set 4.1: A 12 ASN : amide:sc= -7.14! C(o=-7.4!,f=-7.9!) USER MOD Set 4.2: A 27 TYR OH : rot -150:sc= -0.243 USER MOD Set 5.1: A 10 GLN :FLIP amide:sc= 0.389 F(o=-0.014,f=0.82) USER MOD Set 5.2: A 26 CYS SG : rot 179:sc= 0.429 USER MOD Set 6.1: A 7 GLN : amide:sc= -0.408 X(o=-0.38,f=0.022) USER MOD Set 6.2: A 29 GLN : amide:sc= 0.0275 K(o=-0.38,f=-2.3!) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0.888 (180deg=0.856) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc=-0.00444 X(o=-0.0044,f=-0.065) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.04 F(o=-2.7!,f=-1) USER MOD Single : A 36 GLN :FLIP amide:sc=-0.00285 F(o=-0.53,f=-0.0029) USER MOD Single : A 37 ASN : amide:sc= -0.71 K(o=-0.71,f=-5.2!) USER MOD Single : A 42 SER OG : rot 40:sc= -0.149 USER MOD Single : A 43 ASN : amide:sc= -5.94! C(o=-5.9!,f=-9.3!) USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= 1.22 (180deg=1.16) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0608 F(o=-0.59,f=-0.061) USER MOD Single : A 59 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.12) USER MOD Single : A 60 MET CE :methyl 153:sc= -0.215 (180deg=-1.61) USER MOD Single : A 61 CYS SG : rot 79:sc= -0.73 USER MOD Single : A 68 THR OG1 : rot 120:sc= -0.0655 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0254 USER MOD Single : A 73 HIS : no HE2:sc= -1.55! C(o=-1.5!,f=-2.4!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= 2.36 (180deg=2.18) USER MOD Single : A 81 GLN : amide:sc= -8.64! C(o=-8.6!,f=-8.7!) 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 20.097 -6.765 -6.820 1.00 0.00 N ATOM 32 CA PHE A 4 19.106 -5.861 -7.387 1.00 0.00 C ATOM 33 C PHE A 4 19.861 -4.637 -7.861 1.00 0.00 C ATOM 34 O PHE A 4 19.601 -4.077 -8.924 1.00 0.00 O ATOM 35 CB PHE A 4 18.128 -5.442 -6.286 1.00 0.00 C ATOM 36 CG PHE A 4 17.139 -4.362 -6.681 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.520 -3.007 -6.733 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.818 -4.719 -6.982 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.577 -2.023 -7.055 1.00 0.00 C ATOM 40 CE2 PHE A 4 14.877 -3.730 -7.300 1.00 0.00 C ATOM 41 CZ PHE A 4 15.255 -2.384 -7.343 1.00 0.00 C ATOM 0 HA PHE A 4 18.554 -6.332 -8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.572 -6.321 -5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.700 -5.092 -5.427 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.542 -2.726 -6.524 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.524 -5.758 -6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.870 -0.984 -7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.855 -4.009 -7.513 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.530 -1.625 -7.598 1.00 0.00 H new ATOM 51 N GLU A 5 20.819 -4.237 -7.032 1.00 0.00 N ATOM 52 CA GLU A 5 21.681 -3.114 -7.277 1.00 0.00 C ATOM 53 C GLU A 5 22.408 -3.221 -8.603 1.00 0.00 C ATOM 54 O GLU A 5 22.427 -2.256 -9.353 1.00 0.00 O ATOM 55 CB GLU A 5 22.722 -3.111 -6.176 1.00 0.00 C ATOM 56 CG GLU A 5 22.077 -2.819 -4.825 1.00 0.00 C ATOM 57 CD GLU A 5 23.125 -2.764 -3.720 1.00 0.00 C ATOM 58 OE1 GLU A 5 23.546 -3.850 -3.267 1.00 0.00 O ATOM 59 OE2 GLU A 5 23.499 -1.635 -3.330 1.00 0.00 O ATOM 0 H GLU A 5 21.013 -4.707 -6.148 1.00 0.00 H new ATOM 0 HA GLU A 5 21.077 -2.207 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.226 -4.077 -6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.483 -2.361 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.542 -1.871 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.341 -3.590 -4.595 1.00 0.00 H new ATOM 66 N LYS A 6 23.008 -4.370 -8.921 1.00 0.00 N ATOM 67 CA LYS A 6 23.828 -4.442 -10.114 1.00 0.00 C ATOM 68 C LYS A 6 22.968 -4.439 -11.363 1.00 0.00 C ATOM 69 O LYS A 6 23.304 -3.780 -12.340 1.00 0.00 O ATOM 70 CB LYS A 6 24.675 -5.704 -10.070 1.00 0.00 C ATOM 71 CG LYS A 6 26.112 -5.405 -9.646 1.00 0.00 C ATOM 72 CD LYS A 6 26.194 -4.609 -8.342 1.00 0.00 C ATOM 73 CE LYS A 6 27.658 -4.288 -8.062 1.00 0.00 C ATOM 74 NZ LYS A 6 27.790 -3.274 -7.003 1.00 0.00 N ATOM 0 H LYS A 6 22.941 -5.234 -8.383 1.00 0.00 H new ATOM 0 HA LYS A 6 24.476 -3.566 -10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.231 -6.416 -9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.676 -6.176 -11.052 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.653 -6.344 -9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.611 -4.847 -10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.613 -3.690 -8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.768 -5.184 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.182 -5.197 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.135 -3.929 -8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.795 -3.151 -6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.400 -2.370 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.269 -3.584 -6.158 1.00 0.00 H new ATOM 88 N GLN A 7 21.854 -5.170 -11.335 1.00 0.00 N ATOM 89 CA GLN A 7 20.922 -5.189 -12.446 1.00 0.00 C ATOM 90 C GLN A 7 20.336 -3.793 -12.648 1.00 0.00 C ATOM 91 O GLN A 7 19.737 -3.507 -13.685 1.00 0.00 O ATOM 92 CB GLN A 7 19.862 -6.238 -12.146 1.00 0.00 C ATOM 93 CG GLN A 7 20.616 -7.530 -11.834 1.00 0.00 C ATOM 94 CD GLN A 7 19.695 -8.726 -11.875 1.00 0.00 C ATOM 95 OE1 GLN A 7 19.485 -9.403 -10.873 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.138 -8.991 -13.046 1.00 0.00 N ATOM 0 H GLN A 7 21.580 -5.758 -10.547 1.00 0.00 H new ATOM 0 HA GLN A 7 21.415 -5.456 -13.381 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.243 -5.935 -11.302 1.00 0.00 H new ATOM 0 HB3 GLN A 7 19.195 -6.372 -12.998 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.423 -7.665 -12.554 1.00 0.00 H new ATOM 0 HG3 GLN A 7 21.076 -7.456 -10.849 1.00 0.00 H new ATOM 0 HE21 GLN A 7 19.341 -8.401 -13.853 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.505 -9.785 -13.142 1.00 0.00 H new ATOM 105 N LYS A 8 20.515 -2.924 -11.646 1.00 0.00 N ATOM 106 CA LYS A 8 20.136 -1.531 -11.704 1.00 0.00 C ATOM 107 C LYS A 8 21.314 -0.701 -12.215 1.00 0.00 C ATOM 108 O LYS A 8 21.239 -0.190 -13.328 1.00 0.00 O ATOM 109 CB LYS A 8 19.666 -1.145 -10.304 1.00 0.00 C ATOM 110 CG LYS A 8 19.127 0.276 -10.219 1.00 0.00 C ATOM 111 CD LYS A 8 18.393 0.380 -8.883 1.00 0.00 C ATOM 112 CE LYS A 8 19.292 0.039 -7.696 1.00 0.00 C ATOM 113 NZ LYS A 8 20.352 1.045 -7.497 1.00 0.00 N ATOM 0 H LYS A 8 20.939 -3.189 -10.757 1.00 0.00 H new ATOM 0 HA LYS A 8 19.322 -1.342 -12.404 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.890 -1.840 -9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.497 -1.253 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.938 1.003 -10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.453 0.486 -11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.005 1.391 -8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.535 -0.292 -8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.687 -0.033 -6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.746 -0.939 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.939 0.775 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.946 1.097 -8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.920 1.974 -7.320 1.00 0.00 H new ATOM 127 N GLU A 9 22.396 -0.556 -11.437 1.00 0.00 N ATOM 128 CA GLU A 9 23.511 0.307 -11.826 1.00 0.00 C ATOM 129 C GLU A 9 24.165 -0.097 -13.147 1.00 0.00 C ATOM 130 O GLU A 9 24.790 0.745 -13.790 1.00 0.00 O ATOM 131 CB GLU A 9 24.551 0.456 -10.711 1.00 0.00 C ATOM 132 CG GLU A 9 25.133 -0.892 -10.318 1.00 0.00 C ATOM 133 CD GLU A 9 26.504 -0.753 -9.661 1.00 0.00 C ATOM 134 OE1 GLU A 9 27.444 -0.314 -10.366 1.00 0.00 O ATOM 135 OE2 GLU A 9 26.607 -1.088 -8.458 1.00 0.00 O ATOM 0 H GLU A 9 22.519 -1.024 -10.539 1.00 0.00 H new ATOM 0 HA GLU A 9 23.065 1.287 -11.994 1.00 0.00 H new ATOM 0 HB2 GLU A 9 25.351 1.118 -11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.091 0.924 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 9 24.452 -1.395 -9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 9 25.217 -1.523 -11.203 1.00 0.00 H new ATOM 142 N GLN A 10 24.036 -1.356 -13.572 1.00 0.00 N ATOM 143 CA GLN A 10 24.539 -1.738 -14.885 1.00 0.00 C ATOM 144 C GLN A 10 23.739 -1.062 -15.995 1.00 0.00 C ATOM 145 O GLN A 10 24.314 -0.589 -16.972 1.00 0.00 O ATOM 146 CB GLN A 10 24.443 -3.258 -15.051 1.00 0.00 C ATOM 147 CG GLN A 10 25.248 -3.709 -16.267 1.00 0.00 C ATOM 148 CD GLN A 10 24.636 -4.960 -16.877 1.00 0.00 C ATOM 149 OE1 GLN A 10 23.734 -4.768 -17.834 1.00 0.00 O flip ATOM 150 NE2 GLN A 10 24.966 -6.079 -16.499 1.00 0.00 N flip ATOM 0 H GLN A 10 23.599 -2.108 -13.039 1.00 0.00 H new ATOM 0 HA GLN A 10 25.578 -1.418 -14.958 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.817 -3.753 -14.155 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.400 -3.553 -15.167 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.275 -2.911 -17.009 1.00 0.00 H new ATOM 0 HG3 GLN A 10 26.279 -3.907 -15.975 1.00 0.00 H new ATOM 0 HE21 GLN A 10 25.663 -6.183 -15.761 1.00 0.00 H new ATOM 0 HE22 GLN A 10 24.544 -6.905 -16.922 1.00 0.00 H new ATOM 159 N GLY A 11 22.414 -1.015 -15.846 1.00 0.00 N ATOM 160 CA GLY A 11 21.539 -0.405 -16.835 1.00 0.00 C ATOM 161 C GLY A 11 21.410 1.097 -16.592 1.00 0.00 C ATOM 162 O GLY A 11 21.033 1.838 -17.499 1.00 0.00 O ATOM 0 H GLY A 11 21.924 -1.399 -15.038 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.933 -0.584 -17.835 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.554 -0.871 -16.793 1.00 0.00 H new ATOM 166 N ASN A 12 21.722 1.551 -15.375 1.00 0.00 N ATOM 167 CA ASN A 12 21.643 2.964 -15.035 1.00 0.00 C ATOM 168 C ASN A 12 22.564 3.778 -15.931 1.00 0.00 C ATOM 169 O ASN A 12 22.297 4.953 -16.148 1.00 0.00 O ATOM 170 CB ASN A 12 22.057 3.205 -13.580 1.00 0.00 C ATOM 171 CG ASN A 12 21.105 2.629 -12.543 1.00 0.00 C ATOM 172 OD1 ASN A 12 20.027 2.131 -12.853 1.00 0.00 O ATOM 173 ND2 ASN A 12 21.524 2.698 -11.282 1.00 0.00 N ATOM 0 H ASN A 12 22.032 0.953 -14.609 1.00 0.00 H new ATOM 0 HA ASN A 12 20.608 3.274 -15.177 1.00 0.00 H new ATOM 0 HB2 ASN A 12 23.047 2.776 -13.423 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.145 4.279 -13.415 1.00 0.00 H new ATOM 0 HD21 ASN A 12 20.942 2.329 -10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.427 3.120 -11.067 1.00 0.00 H new ATOM 180 N SER A 13 23.642 3.172 -16.450 1.00 0.00 N ATOM 181 CA SER A 13 24.529 3.887 -17.355 1.00 0.00 C ATOM 182 C SER A 13 24.056 3.747 -18.798 1.00 0.00 C ATOM 183 O SER A 13 24.169 4.695 -19.570 1.00 0.00 O ATOM 184 CB SER A 13 25.956 3.364 -17.203 1.00 0.00 C ATOM 185 OG SER A 13 26.014 1.995 -17.540 1.00 0.00 O ATOM 0 H SER A 13 23.910 2.207 -16.259 1.00 0.00 H new ATOM 0 HA SER A 13 24.512 4.946 -17.098 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.629 3.932 -17.845 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.296 3.508 -16.177 1.00 0.00 H new ATOM 0 HG SER A 13 26.934 1.672 -17.440 1.00 0.00 H new ATOM 191 N LEU A 14 23.522 2.578 -19.165 1.00 0.00 N ATOM 192 CA LEU A 14 22.975 2.332 -20.489 1.00 0.00 C ATOM 193 C LEU A 14 21.857 3.320 -20.830 1.00 0.00 C ATOM 194 O LEU A 14 21.762 3.788 -21.962 1.00 0.00 O ATOM 195 CB LEU A 14 22.456 0.910 -20.496 1.00 0.00 C ATOM 196 CG LEU A 14 23.598 -0.080 -20.266 1.00 0.00 C ATOM 197 CD1 LEU A 14 23.225 -1.296 -21.069 1.00 0.00 C ATOM 198 CD2 LEU A 14 24.979 0.343 -20.770 1.00 0.00 C ATOM 0 H LEU A 14 23.460 1.773 -18.541 1.00 0.00 H new ATOM 0 HA LEU A 14 23.747 2.470 -21.246 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.701 0.789 -19.720 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.971 0.699 -21.449 1.00 0.00 H new ATOM 0 HG LEU A 14 23.696 -0.203 -19.187 1.00 0.00 H new ATOM 0 HD11 LEU A 14 23.997 -2.057 -20.957 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.273 -1.690 -20.712 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.134 -1.024 -22.121 1.00 0.00 H new ATOM 0 HD21 LEU A 14 25.703 -0.441 -20.549 1.00 0.00 H new ATOM 0 HD22 LEU A 14 24.939 0.506 -21.847 1.00 0.00 H new ATOM 0 HD23 LEU A 14 25.280 1.266 -20.274 1.00 0.00 H new ATOM 210 N PHE A 15 21.013 3.636 -19.849 1.00 0.00 N ATOM 211 CA PHE A 15 19.910 4.562 -20.039 1.00 0.00 C ATOM 212 C PHE A 15 20.417 5.930 -20.474 1.00 0.00 C ATOM 213 O PHE A 15 19.697 6.680 -21.127 1.00 0.00 O ATOM 214 CB PHE A 15 19.149 4.673 -18.720 1.00 0.00 C ATOM 215 CG PHE A 15 18.334 5.942 -18.567 1.00 0.00 C ATOM 216 CD1 PHE A 15 17.104 6.084 -19.224 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.817 6.978 -17.753 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.361 7.263 -19.070 1.00 0.00 C ATOM 219 CE2 PHE A 15 18.048 8.130 -17.555 1.00 0.00 C ATOM 220 CZ PHE A 15 16.829 8.280 -18.228 1.00 0.00 C ATOM 0 H PHE A 15 21.078 3.256 -18.905 1.00 0.00 H new ATOM 0 HA PHE A 15 19.252 4.192 -20.825 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.483 3.815 -18.627 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.862 4.613 -17.898 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.729 5.286 -19.848 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.783 6.886 -17.279 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.428 7.387 -19.600 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.394 8.902 -16.884 1.00 0.00 H new ATOM 0 HZ PHE A 15 16.249 9.181 -18.098 1.00 0.00 H new ATOM 230 N LYS A 16 21.657 6.254 -20.115 1.00 0.00 N ATOM 231 CA LYS A 16 22.228 7.559 -20.393 1.00 0.00 C ATOM 232 C LYS A 16 22.996 7.583 -21.720 1.00 0.00 C ATOM 233 O LYS A 16 23.500 8.634 -22.109 1.00 0.00 O ATOM 234 CB LYS A 16 23.178 7.933 -19.255 1.00 0.00 C ATOM 235 CG LYS A 16 22.655 7.429 -17.912 1.00 0.00 C ATOM 236 CD LYS A 16 23.601 7.820 -16.785 1.00 0.00 C ATOM 237 CE LYS A 16 23.387 9.280 -16.403 1.00 0.00 C ATOM 238 NZ LYS A 16 24.310 9.696 -15.326 1.00 0.00 N ATOM 0 H LYS A 16 22.288 5.619 -19.626 1.00 0.00 H new ATOM 0 HA LYS A 16 21.411 8.276 -20.472 1.00 0.00 H new ATOM 0 HB2 LYS A 16 24.164 7.509 -19.447 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.298 9.016 -19.219 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.665 7.844 -17.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.546 6.345 -17.942 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.431 7.181 -15.919 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.634 7.665 -17.097 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.538 9.912 -17.278 1.00 0.00 H new ATOM 0 HE3 LYS A 16 22.357 9.425 -16.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.139 10.694 -15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.149 9.108 -14.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.292 9.579 -15.647 1.00 0.00 H new ATOM 252 N GLN A 17 23.093 6.442 -22.413 1.00 0.00 N ATOM 253 CA GLN A 17 23.901 6.310 -23.616 1.00 0.00 C ATOM 254 C GLN A 17 23.075 6.331 -24.895 1.00 0.00 C ATOM 255 O GLN A 17 23.621 6.591 -25.967 1.00 0.00 O ATOM 256 CB GLN A 17 24.646 4.978 -23.553 1.00 0.00 C ATOM 257 CG GLN A 17 25.777 5.052 -22.534 1.00 0.00 C ATOM 258 CD GLN A 17 26.727 3.867 -22.659 1.00 0.00 C ATOM 259 OE1 GLN A 17 26.200 2.656 -22.514 1.00 0.00 O flip ATOM 260 NE2 GLN A 17 27.923 4.038 -22.884 1.00 0.00 N flip ATOM 0 H GLN A 17 22.608 5.585 -22.148 1.00 0.00 H new ATOM 0 HA GLN A 17 24.579 7.163 -23.647 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.955 4.180 -23.282 1.00 0.00 H new ATOM 0 HB3 GLN A 17 25.048 4.732 -24.536 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.332 5.980 -22.673 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.359 5.079 -21.528 1.00 0.00 H new ATOM 0 HE21 GLN A 17 28.292 4.983 -22.989 1.00 0.00 H new ATOM 0 HE22 GLN A 17 28.547 3.235 -22.965 1.00 0.00 H new ATOM 269 N GLY A 18 21.770 6.063 -24.800 1.00 0.00 N ATOM 270 CA GLY A 18 20.936 6.008 -25.994 1.00 0.00 C ATOM 271 C GLY A 18 20.062 4.778 -26.061 1.00 0.00 C ATOM 272 O GLY A 18 19.044 4.761 -26.751 1.00 0.00 O ATOM 0 H GLY A 18 21.279 5.884 -23.924 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.304 6.896 -26.028 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.575 6.038 -26.876 1.00 0.00 H new ATOM 276 N LEU A 19 20.475 3.748 -25.335 1.00 0.00 N ATOM 277 CA LEU A 19 19.917 2.430 -25.490 1.00 0.00 C ATOM 278 C LEU A 19 19.046 2.087 -24.301 1.00 0.00 C ATOM 279 O LEU A 19 19.273 1.143 -23.550 1.00 0.00 O ATOM 280 CB LEU A 19 21.015 1.441 -25.835 1.00 0.00 C ATOM 281 CG LEU A 19 22.413 1.724 -25.275 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.457 1.342 -23.805 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.441 0.867 -26.009 1.00 0.00 C ATOM 0 H LEU A 19 21.205 3.812 -24.626 1.00 0.00 H new ATOM 0 HA LEU A 19 19.235 2.383 -26.339 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.704 0.456 -25.486 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.091 1.386 -26.921 1.00 0.00 H new ATOM 0 HG LEU A 19 22.636 2.783 -25.404 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.451 1.543 -23.406 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.720 1.927 -23.255 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.231 0.281 -23.698 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.435 1.069 -25.610 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.202 -0.187 -25.870 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.422 1.106 -27.072 1.00 0.00 H new ATOM 295 N TYR A 20 18.024 2.921 -24.174 1.00 0.00 N ATOM 296 CA TYR A 20 17.016 2.898 -23.137 1.00 0.00 C ATOM 297 C TYR A 20 16.472 1.494 -22.906 1.00 0.00 C ATOM 298 O TYR A 20 16.246 1.117 -21.764 1.00 0.00 O ATOM 299 CB TYR A 20 15.918 3.853 -23.606 1.00 0.00 C ATOM 300 CG TYR A 20 16.490 5.180 -24.049 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.274 5.934 -23.160 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.259 5.641 -25.354 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.832 7.150 -23.582 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.814 6.858 -25.779 1.00 0.00 C ATOM 305 CZ TYR A 20 17.603 7.617 -24.893 1.00 0.00 C ATOM 306 OH TYR A 20 18.142 8.802 -25.300 1.00 0.00 O ATOM 0 H TYR A 20 17.872 3.679 -24.839 1.00 0.00 H new ATOM 0 HA TYR A 20 17.432 3.207 -22.178 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.368 3.399 -24.430 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.205 4.015 -22.797 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.447 5.579 -22.155 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.653 5.058 -26.032 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.438 7.730 -22.902 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.636 7.212 -26.784 1.00 0.00 H new ATOM 0 HH TYR A 20 17.888 8.975 -26.231 1.00 0.00 H new ATOM 316 N ARG A 21 16.262 0.713 -23.971 1.00 0.00 N ATOM 317 CA ARG A 21 15.642 -0.599 -23.885 1.00 0.00 C ATOM 318 C ARG A 21 16.670 -1.644 -23.500 1.00 0.00 C ATOM 319 O ARG A 21 16.323 -2.619 -22.848 1.00 0.00 O ATOM 320 CB ARG A 21 15.087 -0.852 -25.276 1.00 0.00 C ATOM 321 CG ARG A 21 14.404 -2.195 -25.437 1.00 0.00 C ATOM 322 CD ARG A 21 13.529 -2.633 -24.263 1.00 0.00 C ATOM 323 NE ARG A 21 12.330 -3.339 -24.736 1.00 0.00 N ATOM 324 CZ ARG A 21 11.194 -2.730 -25.091 1.00 0.00 C ATOM 325 NH1 ARG A 21 11.087 -1.409 -25.027 1.00 0.00 N ATOM 326 NH2 ARG A 21 10.157 -3.444 -25.514 1.00 0.00 N ATOM 0 H ARG A 21 16.522 0.982 -24.920 1.00 0.00 H new ATOM 0 HA ARG A 21 14.862 -0.648 -23.125 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.375 -0.063 -25.520 1.00 0.00 H new ATOM 0 HB3 ARG A 21 15.901 -0.782 -25.998 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.787 -2.164 -26.335 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.168 -2.954 -25.601 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.101 -3.283 -23.601 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.235 -1.761 -23.678 1.00 0.00 H new ATOM 0 HE ARG A 21 12.367 -4.356 -24.797 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.876 -0.848 -24.705 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.216 -0.954 -25.300 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.226 -4.460 -25.569 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.292 -2.976 -25.784 1.00 0.00 H new ATOM 340 N GLU A 22 17.932 -1.449 -23.884 1.00 0.00 N ATOM 341 CA GLU A 22 18.992 -2.311 -23.383 1.00 0.00 C ATOM 342 C GLU A 22 19.168 -2.044 -21.892 1.00 0.00 C ATOM 343 O GLU A 22 19.552 -2.932 -21.131 1.00 0.00 O ATOM 344 CB GLU A 22 20.294 -2.012 -24.108 1.00 0.00 C ATOM 345 CG GLU A 22 20.106 -2.245 -25.603 1.00 0.00 C ATOM 346 CD GLU A 22 19.815 -3.710 -25.918 1.00 0.00 C ATOM 347 OE1 GLU A 22 20.770 -4.516 -25.854 1.00 0.00 O ATOM 348 OE2 GLU A 22 18.638 -4.018 -26.220 1.00 0.00 O ATOM 0 H GLU A 22 18.237 -0.717 -24.526 1.00 0.00 H new ATOM 0 HA GLU A 22 18.728 -3.355 -23.552 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.597 -0.981 -23.925 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.091 -2.651 -23.726 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.286 -1.626 -25.967 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.004 -1.930 -26.135 1.00 0.00 H new ATOM 355 N ALA A 23 18.876 -0.807 -21.483 1.00 0.00 N ATOM 356 CA ALA A 23 18.916 -0.402 -20.089 1.00 0.00 C ATOM 357 C ALA A 23 17.732 -0.968 -19.303 1.00 0.00 C ATOM 358 O ALA A 23 17.883 -1.261 -18.117 1.00 0.00 O ATOM 359 CB ALA A 23 18.931 1.130 -20.014 1.00 0.00 C ATOM 0 H ALA A 23 18.604 -0.058 -22.120 1.00 0.00 H new ATOM 0 HA ALA A 23 19.822 -0.802 -19.634 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.961 1.443 -18.970 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.811 1.511 -20.533 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.032 1.526 -20.486 1.00 0.00 H new ATOM 365 N VAL A 24 16.559 -1.135 -19.930 1.00 0.00 N ATOM 366 CA VAL A 24 15.387 -1.611 -19.239 1.00 0.00 C ATOM 367 C VAL A 24 15.468 -3.115 -19.109 1.00 0.00 C ATOM 368 O VAL A 24 14.870 -3.745 -18.245 1.00 0.00 O ATOM 369 CB VAL A 24 14.096 -1.255 -19.961 1.00 0.00 C ATOM 370 CG1 VAL A 24 13.971 0.166 -20.486 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.558 -2.279 -20.937 1.00 0.00 C ATOM 0 H VAL A 24 16.412 -0.942 -20.921 1.00 0.00 H new ATOM 0 HA VAL A 24 15.367 -1.127 -18.263 1.00 0.00 H new ATOM 0 HB VAL A 24 13.417 -1.295 -19.109 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.006 0.288 -20.978 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.046 0.868 -19.656 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.770 0.362 -21.201 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.636 -1.906 -21.384 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.295 -2.458 -21.720 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.355 -3.212 -20.411 1.00 0.00 H new ATOM 381 N HIS A 25 16.245 -3.671 -20.021 1.00 0.00 N ATOM 382 CA HIS A 25 16.496 -5.082 -20.143 1.00 0.00 C ATOM 383 C HIS A 25 17.188 -5.676 -18.915 1.00 0.00 C ATOM 384 O HIS A 25 17.380 -6.889 -18.848 1.00 0.00 O ATOM 385 CB HIS A 25 17.324 -5.281 -21.401 1.00 0.00 C ATOM 386 CG HIS A 25 16.690 -6.244 -22.359 1.00 0.00 C ATOM 387 ND1 HIS A 25 16.221 -7.527 -22.070 1.00 0.00 N ATOM 388 CD2 HIS A 25 16.463 -5.961 -23.671 1.00 0.00 C ATOM 389 CE1 HIS A 25 15.706 -7.972 -23.229 1.00 0.00 C ATOM 390 NE2 HIS A 25 15.846 -7.061 -24.208 1.00 0.00 N ATOM 0 H HIS A 25 16.737 -3.120 -20.725 1.00 0.00 H new ATOM 0 HA HIS A 25 15.547 -5.614 -20.212 1.00 0.00 H new ATOM 0 HB2 HIS A 25 17.464 -4.320 -21.896 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.314 -5.645 -21.127 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.719 -5.048 -24.188 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.240 -8.938 -23.357 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.547 -7.169 -25.177 1.00 0.00 H new ATOM 398 N CYS A 26 17.557 -4.828 -17.950 1.00 0.00 N ATOM 399 CA CYS A 26 18.122 -5.242 -16.672 1.00 0.00 C ATOM 400 C CYS A 26 17.304 -4.619 -15.542 1.00 0.00 C ATOM 401 O CYS A 26 17.245 -5.152 -14.434 1.00 0.00 O ATOM 402 CB CYS A 26 19.594 -4.832 -16.599 1.00 0.00 C ATOM 403 SG CYS A 26 20.509 -5.638 -17.938 1.00 0.00 S ATOM 0 H CYS A 26 17.468 -3.816 -18.042 1.00 0.00 H new ATOM 0 HA CYS A 26 18.078 -6.326 -16.571 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.686 -3.749 -16.681 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.015 -5.115 -15.634 1.00 0.00 H new ATOM 0 HG CYS A 26 21.755 -5.269 -17.895 1.00 0.00 H new ATOM 409 N TYR A 27 16.668 -3.483 -15.840 1.00 0.00 N ATOM 410 CA TYR A 27 15.673 -2.846 -14.997 1.00 0.00 C ATOM 411 C TYR A 27 14.486 -3.777 -14.786 1.00 0.00 C ATOM 412 O TYR A 27 13.871 -3.768 -13.726 1.00 0.00 O ATOM 413 CB TYR A 27 15.174 -1.638 -15.781 1.00 0.00 C ATOM 414 CG TYR A 27 16.091 -0.445 -15.886 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.337 -0.401 -15.241 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.654 0.644 -16.649 1.00 0.00 C ATOM 417 CE1 TYR A 27 18.131 0.749 -15.343 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.432 1.800 -16.747 1.00 0.00 C ATOM 419 CZ TYR A 27 17.678 1.855 -16.089 1.00 0.00 C ATOM 420 OH TYR A 27 18.435 2.981 -16.170 1.00 0.00 O ATOM 0 H TYR A 27 16.843 -2.971 -16.705 1.00 0.00 H new ATOM 0 HA TYR A 27 16.099 -2.585 -14.028 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.936 -1.969 -16.792 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.241 -1.305 -15.327 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.682 -1.250 -14.669 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.707 0.590 -17.166 1.00 0.00 H new ATOM 0 HE1 TYR A 27 19.091 0.788 -14.849 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.082 2.645 -17.322 1.00 0.00 H new ATOM 0 HH TYR A 27 17.851 3.761 -16.270 1.00 0.00 H new ATOM 430 N ASP A 28 14.163 -4.584 -15.800 1.00 0.00 N ATOM 431 CA ASP A 28 13.025 -5.480 -15.764 1.00 0.00 C ATOM 432 C ASP A 28 13.235 -6.581 -14.724 1.00 0.00 C ATOM 433 O ASP A 28 12.265 -7.099 -14.179 1.00 0.00 O ATOM 434 CB ASP A 28 12.807 -6.059 -17.164 1.00 0.00 C ATOM 435 CG ASP A 28 11.476 -6.802 -17.238 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.439 -6.137 -17.016 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.508 -8.021 -17.517 1.00 0.00 O ATOM 0 H ASP A 28 14.693 -4.628 -16.671 1.00 0.00 H new ATOM 0 HA ASP A 28 12.132 -4.931 -15.467 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.823 -5.257 -17.902 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.623 -6.738 -17.414 1.00 0.00 H new ATOM 442 N GLN A 29 14.488 -6.949 -14.435 1.00 0.00 N ATOM 443 CA GLN A 29 14.752 -7.926 -13.394 1.00 0.00 C ATOM 444 C GLN A 29 14.633 -7.321 -11.998 1.00 0.00 C ATOM 445 O GLN A 29 14.561 -8.067 -11.027 1.00 0.00 O ATOM 446 CB GLN A 29 16.137 -8.545 -13.564 1.00 0.00 C ATOM 447 CG GLN A 29 16.182 -9.447 -14.797 1.00 0.00 C ATOM 448 CD GLN A 29 16.749 -8.741 -16.018 1.00 0.00 C ATOM 449 OE1 GLN A 29 17.955 -8.521 -16.104 1.00 0.00 O ATOM 450 NE2 GLN A 29 15.890 -8.378 -16.970 1.00 0.00 N ATOM 0 H GLN A 29 15.318 -6.587 -14.904 1.00 0.00 H new ATOM 0 HA GLN A 29 13.994 -8.703 -13.495 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.884 -7.756 -13.658 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.393 -9.123 -12.676 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.787 -10.327 -14.577 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.175 -9.800 -15.021 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.896 -8.578 -16.863 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.227 -7.900 -17.806 1.00 0.00 H new ATOM 459 N LEU A 30 14.606 -5.990 -11.870 1.00 0.00 N ATOM 460 CA LEU A 30 14.378 -5.361 -10.575 1.00 0.00 C ATOM 461 C LEU A 30 12.958 -5.659 -10.131 1.00 0.00 C ATOM 462 O LEU A 30 12.697 -5.832 -8.944 1.00 0.00 O ATOM 463 CB LEU A 30 14.550 -3.855 -10.701 1.00 0.00 C ATOM 464 CG LEU A 30 15.896 -3.474 -11.289 1.00 0.00 C ATOM 465 CD1 LEU A 30 16.130 -1.981 -11.103 1.00 0.00 C ATOM 466 CD2 LEU A 30 17.043 -4.234 -10.631 1.00 0.00 C ATOM 0 H LEU A 30 14.738 -5.337 -12.642 1.00 0.00 H new ATOM 0 HA LEU A 30 15.092 -5.749 -9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.755 -3.452 -11.329 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.443 -3.396 -9.718 1.00 0.00 H new ATOM 0 HG LEU A 30 15.875 -3.734 -12.347 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.097 -1.709 -11.526 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.342 -1.423 -11.610 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.118 -1.741 -10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.987 -3.930 -11.083 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.063 -4.011 -9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.900 -5.305 -10.775 1.00 0.00 H new ATOM 478 N ILE A 31 12.037 -5.720 -11.095 1.00 0.00 N ATOM 479 CA ILE A 31 10.660 -6.047 -10.792 1.00 0.00 C ATOM 480 C ILE A 31 10.532 -7.542 -10.537 1.00 0.00 C ATOM 481 O ILE A 31 9.746 -7.963 -9.705 1.00 0.00 O ATOM 482 CB ILE A 31 9.743 -5.634 -11.943 1.00 0.00 C ATOM 483 CG1 ILE A 31 9.921 -4.175 -12.350 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.333 -5.758 -11.406 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.669 -4.079 -13.666 1.00 0.00 C ATOM 0 H ILE A 31 12.227 -5.547 -12.082 1.00 0.00 H new ATOM 0 HA ILE A 31 10.359 -5.500 -9.898 1.00 0.00 H new ATOM 0 HB ILE A 31 9.964 -6.257 -12.810 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.947 -3.696 -12.443 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.467 -3.639 -11.574 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.622 -5.476 -12.182 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.149 -6.788 -11.102 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.212 -5.099 -10.546 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.787 -3.031 -13.942 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.651 -4.540 -13.561 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.107 -4.597 -14.443 1.00 0.00 H new ATOM 497 N THR A 32 11.292 -8.377 -11.228 1.00 0.00 N ATOM 498 CA THR A 32 11.206 -9.807 -10.977 1.00 0.00 C ATOM 499 C THR A 32 11.949 -10.190 -9.699 1.00 0.00 C ATOM 500 O THR A 32 11.597 -11.184 -9.065 1.00 0.00 O ATOM 501 CB THR A 32 11.810 -10.521 -12.191 1.00 0.00 C ATOM 502 OG1 THR A 32 10.962 -10.346 -13.307 1.00 0.00 O ATOM 503 CG2 THR A 32 12.045 -12.012 -11.981 1.00 0.00 C ATOM 0 H THR A 32 11.959 -8.100 -11.949 1.00 0.00 H new ATOM 0 HA THR A 32 10.166 -10.102 -10.836 1.00 0.00 H new ATOM 0 HB THR A 32 12.788 -10.069 -12.354 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.347 -10.800 -14.085 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.474 -12.444 -12.885 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.732 -12.158 -11.148 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.097 -12.502 -11.759 1.00 0.00 H new ATOM 511 N ALA A 33 12.968 -9.416 -9.309 1.00 0.00 N ATOM 512 CA ALA A 33 13.689 -9.688 -8.080 1.00 0.00 C ATOM 513 C ALA A 33 12.923 -9.109 -6.897 1.00 0.00 C ATOM 514 O ALA A 33 12.993 -9.628 -5.783 1.00 0.00 O ATOM 515 CB ALA A 33 15.072 -9.038 -8.139 1.00 0.00 C ATOM 0 H ALA A 33 13.303 -8.605 -9.828 1.00 0.00 H new ATOM 0 HA ALA A 33 13.793 -10.767 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.611 -9.244 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.630 -9.445 -8.982 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.963 -7.961 -8.263 1.00 0.00 H new ATOM 521 N GLN A 34 12.188 -8.025 -7.152 1.00 0.00 N ATOM 522 CA GLN A 34 11.421 -7.316 -6.158 1.00 0.00 C ATOM 523 C GLN A 34 10.172 -6.739 -6.816 1.00 0.00 C ATOM 524 O GLN A 34 10.058 -5.541 -7.051 1.00 0.00 O ATOM 525 CB GLN A 34 12.331 -6.237 -5.610 1.00 0.00 C ATOM 526 CG GLN A 34 12.139 -5.916 -4.132 1.00 0.00 C ATOM 527 CD GLN A 34 13.405 -5.214 -3.659 1.00 0.00 C ATOM 528 OE1 GLN A 34 14.104 -4.598 -4.611 1.00 0.00 O flip ATOM 529 NE2 GLN A 34 13.749 -5.228 -2.479 1.00 0.00 N flip ATOM 0 H GLN A 34 12.116 -7.615 -8.083 1.00 0.00 H new ATOM 0 HA GLN A 34 11.084 -7.958 -5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.366 -6.542 -5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.176 -5.325 -6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.267 -5.278 -3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.967 -6.827 -3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.179 -5.714 -1.787 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.605 -4.753 -2.192 1.00 0.00 H new ATOM 538 N PRO A 35 9.217 -7.611 -7.124 1.00 0.00 N ATOM 539 CA PRO A 35 7.987 -7.256 -7.816 1.00 0.00 C ATOM 540 C PRO A 35 7.110 -6.391 -6.936 1.00 0.00 C ATOM 541 O PRO A 35 6.106 -5.828 -7.366 1.00 0.00 O ATOM 542 CB PRO A 35 7.363 -8.591 -8.191 1.00 0.00 C ATOM 543 CG PRO A 35 8.081 -9.656 -7.362 1.00 0.00 C ATOM 544 CD PRO A 35 9.315 -9.010 -6.790 1.00 0.00 C ATOM 0 HA PRO A 35 8.146 -6.650 -8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.294 -8.592 -7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.478 -8.787 -9.257 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.435 -10.026 -6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.346 -10.513 -7.981 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.366 -9.152 -5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.218 -9.450 -7.212 1.00 0.00 H new ATOM 552 N GLN A 36 7.543 -6.311 -5.687 1.00 0.00 N ATOM 553 CA GLN A 36 7.028 -5.375 -4.703 1.00 0.00 C ATOM 554 C GLN A 36 7.961 -4.177 -4.504 1.00 0.00 C ATOM 555 O GLN A 36 8.165 -3.717 -3.381 1.00 0.00 O ATOM 556 CB GLN A 36 6.719 -6.079 -3.387 1.00 0.00 C ATOM 557 CG GLN A 36 5.741 -7.241 -3.566 1.00 0.00 C ATOM 558 CD GLN A 36 6.418 -8.557 -3.220 1.00 0.00 C ATOM 559 OE1 GLN A 36 7.093 -9.159 -4.192 1.00 0.00 O flip ATOM 560 NE2 GLN A 36 6.342 -9.028 -2.088 1.00 0.00 N flip ATOM 0 H GLN A 36 8.282 -6.912 -5.322 1.00 0.00 H new ATOM 0 HA GLN A 36 6.091 -4.976 -5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.646 -6.451 -2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.301 -5.360 -2.682 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.870 -7.094 -2.928 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.382 -7.268 -4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.814 -8.538 -1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.807 -9.910 -1.870 1.00 0.00 H new ATOM 569 N ASN A 37 8.530 -3.671 -5.601 1.00 0.00 N ATOM 570 CA ASN A 37 9.395 -2.498 -5.575 1.00 0.00 C ATOM 571 C ASN A 37 9.086 -1.603 -6.764 1.00 0.00 C ATOM 572 O ASN A 37 8.749 -2.080 -7.847 1.00 0.00 O ATOM 573 CB ASN A 37 10.863 -2.934 -5.584 1.00 0.00 C ATOM 574 CG ASN A 37 11.548 -2.556 -6.885 1.00 0.00 C ATOM 575 OD1 ASN A 37 12.264 -1.567 -6.962 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.320 -3.357 -7.914 1.00 0.00 N ATOM 0 H ASN A 37 8.401 -4.067 -6.532 1.00 0.00 H new ATOM 0 HA ASN A 37 9.212 -1.931 -4.662 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.386 -2.470 -4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.924 -4.013 -5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.749 -3.160 -8.818 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.715 -4.171 -7.803 1.00 0.00 H new ATOM 583 N PRO A 38 9.206 -0.296 -6.545 1.00 0.00 N ATOM 584 CA PRO A 38 8.876 0.706 -7.525 1.00 0.00 C ATOM 585 C PRO A 38 10.015 1.127 -8.442 1.00 0.00 C ATOM 586 O PRO A 38 9.738 1.270 -9.627 1.00 0.00 O ATOM 587 CB PRO A 38 8.457 1.859 -6.662 1.00 0.00 C ATOM 588 CG PRO A 38 9.374 1.792 -5.442 1.00 0.00 C ATOM 589 CD PRO A 38 9.606 0.300 -5.280 1.00 0.00 C ATOM 0 HA PRO A 38 8.128 0.332 -8.224 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.569 2.807 -7.188 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.409 1.776 -6.373 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.307 2.331 -5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.906 2.227 -4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.652 0.087 -5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.018 -0.101 -4.454 1.00 0.00 H new ATOM 597 N VAL A 39 11.262 1.335 -7.990 1.00 0.00 N ATOM 598 CA VAL A 39 12.341 1.622 -8.930 1.00 0.00 C ATOM 599 C VAL A 39 12.314 0.678 -10.112 1.00 0.00 C ATOM 600 O VAL A 39 12.647 1.055 -11.234 1.00 0.00 O ATOM 601 CB VAL A 39 13.723 1.593 -8.283 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.812 1.321 -6.799 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.771 0.792 -9.054 1.00 0.00 C ATOM 0 H VAL A 39 11.537 1.310 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 39 12.161 2.639 -9.277 1.00 0.00 H new ATOM 0 HB VAL A 39 13.971 2.651 -8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.857 1.333 -6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.263 2.090 -6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.380 0.344 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.721 0.827 -8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.443 -0.244 -9.144 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.897 1.220 -10.048 1.00 0.00 H new ATOM 613 N GLY A 40 11.905 -0.545 -9.818 1.00 0.00 N ATOM 614 CA GLY A 40 11.730 -1.584 -10.822 1.00 0.00 C ATOM 615 C GLY A 40 10.884 -1.049 -11.972 1.00 0.00 C ATOM 616 O GLY A 40 11.310 -1.084 -13.126 1.00 0.00 O ATOM 0 H GLY A 40 11.683 -0.848 -8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.701 -1.911 -11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.248 -2.455 -10.378 1.00 0.00 H new ATOM 620 N TYR A 41 9.691 -0.543 -11.665 1.00 0.00 N ATOM 621 CA TYR A 41 8.836 0.074 -12.653 1.00 0.00 C ATOM 622 C TYR A 41 9.396 1.424 -13.078 1.00 0.00 C ATOM 623 O TYR A 41 9.235 1.818 -14.225 1.00 0.00 O ATOM 624 CB TYR A 41 7.486 0.309 -11.983 1.00 0.00 C ATOM 625 CG TYR A 41 6.785 -0.953 -11.547 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.097 -1.732 -12.486 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.830 -1.337 -10.202 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.471 -2.920 -12.084 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.209 -2.524 -9.791 1.00 0.00 C ATOM 630 CZ TYR A 41 5.526 -3.322 -10.733 1.00 0.00 C ATOM 631 OH TYR A 41 4.922 -4.478 -10.340 1.00 0.00 O ATOM 0 H TYR A 41 9.299 -0.554 -10.723 1.00 0.00 H new ATOM 0 HA TYR A 41 8.758 -0.566 -13.532 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.631 0.950 -11.113 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.839 0.851 -12.674 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.049 -1.418 -13.518 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.343 -0.718 -9.481 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.947 -3.527 -12.808 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.253 -2.827 -8.755 1.00 0.00 H new ATOM 0 HH TYR A 41 5.056 -4.607 -9.378 1.00 0.00 H new ATOM 641 N SER A 42 10.050 2.129 -12.150 1.00 0.00 N ATOM 642 CA SER A 42 10.410 3.526 -12.330 1.00 0.00 C ATOM 643 C SER A 42 11.512 3.733 -13.363 1.00 0.00 C ATOM 644 O SER A 42 11.445 4.692 -14.132 1.00 0.00 O ATOM 645 CB SER A 42 10.839 4.143 -10.998 1.00 0.00 C ATOM 646 OG SER A 42 9.913 3.836 -9.984 1.00 0.00 O ATOM 0 H SER A 42 10.342 1.740 -11.253 1.00 0.00 H new ATOM 0 HA SER A 42 9.516 4.025 -12.705 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.825 3.771 -10.721 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.924 5.225 -11.104 1.00 0.00 H new ATOM 0 HG SER A 42 9.610 2.910 -10.087 1.00 0.00 H new ATOM 652 N ASN A 43 12.526 2.865 -13.414 1.00 0.00 N ATOM 653 CA ASN A 43 13.607 3.059 -14.363 1.00 0.00 C ATOM 654 C ASN A 43 13.264 2.449 -15.723 1.00 0.00 C ATOM 655 O ASN A 43 13.593 3.038 -16.752 1.00 0.00 O ATOM 656 CB ASN A 43 14.925 2.546 -13.792 1.00 0.00 C ATOM 657 CG ASN A 43 14.927 1.091 -13.347 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.989 0.337 -13.583 1.00 0.00 O ATOM 659 ND2 ASN A 43 16.009 0.694 -12.690 1.00 0.00 N ATOM 0 H ASN A 43 12.615 2.040 -12.820 1.00 0.00 H new ATOM 0 HA ASN A 43 13.736 4.128 -14.534 1.00 0.00 H new ATOM 0 HB2 ASN A 43 15.702 2.678 -14.545 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.198 3.168 -12.940 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.082 -0.269 -12.362 1.00 0.00 H new ATOM 0 HD22 ASN A 43 16.768 1.352 -12.513 1.00 0.00 H new ATOM 666 N LYS A 44 12.601 1.285 -15.749 1.00 0.00 N ATOM 667 CA LYS A 44 12.025 0.739 -16.974 1.00 0.00 C ATOM 668 C LYS A 44 11.031 1.762 -17.525 1.00 0.00 C ATOM 669 O LYS A 44 10.827 1.829 -18.730 1.00 0.00 O ATOM 670 CB LYS A 44 11.339 -0.591 -16.664 1.00 0.00 C ATOM 671 CG LYS A 44 10.619 -1.114 -17.913 1.00 0.00 C ATOM 672 CD LYS A 44 10.174 -2.568 -17.766 1.00 0.00 C ATOM 673 CE LYS A 44 9.165 -2.734 -16.627 1.00 0.00 C ATOM 674 NZ LYS A 44 8.593 -4.095 -16.627 1.00 0.00 N ATOM 0 H LYS A 44 12.452 0.703 -14.925 1.00 0.00 H new ATOM 0 HA LYS A 44 12.796 0.550 -17.721 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.076 -1.320 -16.327 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.625 -0.460 -15.851 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.749 -0.490 -18.115 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.281 -1.025 -18.774 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.729 -2.909 -18.700 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.043 -3.198 -17.578 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.653 -2.540 -15.672 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.367 -1.999 -16.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.345 -4.367 -15.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.739 -4.113 -17.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.292 -4.765 -17.006 1.00 0.00 H new ATOM 688 N ALA A 45 10.411 2.563 -16.647 1.00 0.00 N ATOM 689 CA ALA A 45 9.404 3.526 -17.085 1.00 0.00 C ATOM 690 C ALA A 45 10.052 4.774 -17.667 1.00 0.00 C ATOM 691 O ALA A 45 9.647 5.232 -18.730 1.00 0.00 O ATOM 692 CB ALA A 45 8.497 3.922 -15.921 1.00 0.00 C ATOM 0 H ALA A 45 10.589 2.560 -15.643 1.00 0.00 H new ATOM 0 HA ALA A 45 8.808 3.046 -17.861 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.753 4.640 -16.267 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.993 3.036 -15.534 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.096 4.373 -15.130 1.00 0.00 H new ATOM 698 N MET A 46 11.055 5.329 -16.983 1.00 0.00 N ATOM 699 CA MET A 46 11.770 6.496 -17.475 1.00 0.00 C ATOM 700 C MET A 46 12.314 6.222 -18.877 1.00 0.00 C ATOM 701 O MET A 46 12.343 7.101 -19.734 1.00 0.00 O ATOM 702 CB MET A 46 12.917 6.798 -16.512 1.00 0.00 C ATOM 703 CG MET A 46 13.220 8.292 -16.402 1.00 0.00 C ATOM 704 SD MET A 46 13.610 9.155 -17.939 1.00 0.00 S ATOM 705 CE MET A 46 11.990 9.860 -18.347 1.00 0.00 C ATOM 0 H MET A 46 11.387 4.983 -16.083 1.00 0.00 H new ATOM 0 HA MET A 46 11.098 7.352 -17.531 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.669 6.409 -15.525 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.813 6.274 -16.845 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.359 8.781 -15.946 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.059 8.420 -15.718 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.781 9.704 -19.405 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.220 9.372 -17.749 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.994 10.929 -18.132 1.00 0.00 H new ATOM 715 N ALA A 47 12.751 4.981 -19.106 1.00 0.00 N ATOM 716 CA ALA A 47 13.272 4.572 -20.393 1.00 0.00 C ATOM 717 C ALA A 47 12.158 4.497 -21.442 1.00 0.00 C ATOM 718 O ALA A 47 12.388 4.848 -22.597 1.00 0.00 O ATOM 719 CB ALA A 47 13.944 3.218 -20.211 1.00 0.00 C ATOM 0 H ALA A 47 12.750 4.242 -18.403 1.00 0.00 H new ATOM 0 HA ALA A 47 13.993 5.305 -20.755 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.348 2.881 -21.166 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.753 3.308 -19.486 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.213 2.494 -19.851 1.00 0.00 H new ATOM 725 N LEU A 48 10.953 4.051 -21.069 1.00 0.00 N ATOM 726 CA LEU A 48 9.827 3.995 -21.994 1.00 0.00 C ATOM 727 C LEU A 48 9.419 5.394 -22.448 1.00 0.00 C ATOM 728 O LEU A 48 8.804 5.529 -23.499 1.00 0.00 O ATOM 729 CB LEU A 48 8.639 3.279 -21.341 1.00 0.00 C ATOM 730 CG LEU A 48 8.883 1.777 -21.171 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.780 1.196 -20.289 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.885 1.033 -22.501 1.00 0.00 C ATOM 0 H LEU A 48 10.737 3.723 -20.127 1.00 0.00 H new ATOM 0 HA LEU A 48 10.139 3.432 -22.874 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.441 3.725 -20.366 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.747 3.433 -21.949 1.00 0.00 H new ATOM 0 HG LEU A 48 9.866 1.652 -20.717 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.943 0.126 -20.160 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.797 1.685 -19.315 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.812 1.361 -20.761 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.062 -0.028 -22.324 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.921 1.163 -22.992 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.674 1.431 -23.139 1.00 0.00 H new ATOM 744 N ILE A 49 9.744 6.446 -21.693 1.00 0.00 N ATOM 745 CA ILE A 49 9.506 7.805 -22.165 1.00 0.00 C ATOM 746 C ILE A 49 10.531 8.136 -23.243 1.00 0.00 C ATOM 747 O ILE A 49 10.180 8.607 -24.321 1.00 0.00 O ATOM 748 CB ILE A 49 9.629 8.800 -21.002 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.325 8.918 -20.210 1.00 0.00 C ATOM 750 CG2 ILE A 49 10.010 10.188 -21.512 1.00 0.00 C ATOM 751 CD1 ILE A 49 8.131 7.734 -19.268 1.00 0.00 C ATOM 0 H ILE A 49 10.166 6.382 -20.767 1.00 0.00 H new ATOM 0 HA ILE A 49 8.499 7.878 -22.576 1.00 0.00 H new ATOM 0 HB ILE A 49 10.409 8.414 -20.346 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.330 9.844 -19.635 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.483 8.976 -20.900 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.091 10.875 -20.670 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.967 10.135 -22.031 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.244 10.546 -22.200 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.195 7.853 -18.723 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.100 6.810 -19.846 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.960 7.692 -18.561 1.00 0.00 H new ATOM 763 N LYS A 50 11.803 7.883 -22.941 1.00 0.00 N ATOM 764 CA LYS A 50 12.894 8.048 -23.872 1.00 0.00 C ATOM 765 C LYS A 50 12.786 7.134 -25.097 1.00 0.00 C ATOM 766 O LYS A 50 13.531 7.316 -26.059 1.00 0.00 O ATOM 767 CB LYS A 50 14.176 7.800 -23.090 1.00 0.00 C ATOM 768 CG LYS A 50 15.047 9.048 -23.140 1.00 0.00 C ATOM 769 CD LYS A 50 14.415 10.185 -22.342 1.00 0.00 C ATOM 770 CE LYS A 50 14.555 9.926 -20.851 1.00 0.00 C ATOM 771 NZ LYS A 50 14.447 11.189 -20.096 1.00 0.00 N ATOM 0 H LYS A 50 12.099 7.552 -22.023 1.00 0.00 H new ATOM 0 HA LYS A 50 12.875 9.056 -24.286 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.941 7.548 -22.056 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.714 6.951 -23.511 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.035 8.823 -22.740 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.186 9.358 -24.176 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.894 11.129 -22.600 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.361 10.280 -22.604 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.782 9.231 -20.522 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.516 9.454 -20.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.239 10.981 -19.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.345 11.710 -20.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.681 11.768 -20.496 1.00 0.00 H new ATOM 785 N LEU A 51 11.868 6.159 -25.078 1.00 0.00 N ATOM 786 CA LEU A 51 11.570 5.316 -26.219 1.00 0.00 C ATOM 787 C LEU A 51 10.250 5.776 -26.846 1.00 0.00 C ATOM 788 O LEU A 51 9.981 5.519 -28.019 1.00 0.00 O ATOM 789 CB LEU A 51 11.422 3.874 -25.735 1.00 0.00 C ATOM 790 CG LEU A 51 12.743 3.247 -25.276 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.431 1.937 -24.554 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.651 2.930 -26.460 1.00 0.00 C ATOM 0 H LEU A 51 11.310 5.939 -24.253 1.00 0.00 H new ATOM 0 HA LEU A 51 12.370 5.382 -26.957 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.710 3.847 -24.910 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.002 3.270 -26.539 1.00 0.00 H new ATOM 0 HG LEU A 51 13.252 3.956 -24.624 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.360 1.476 -24.220 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.795 2.139 -23.692 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.914 1.260 -25.235 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.579 2.487 -26.099 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.149 2.228 -27.126 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.875 3.848 -27.003 1.00 0.00 H new ATOM 804 N GLY A 52 9.441 6.461 -26.036 1.00 0.00 N ATOM 805 CA GLY A 52 8.152 7.023 -26.399 1.00 0.00 C ATOM 806 C GLY A 52 7.036 5.984 -26.314 1.00 0.00 C ATOM 807 O GLY A 52 5.944 6.190 -26.841 1.00 0.00 O ATOM 0 H GLY A 52 9.685 6.644 -25.063 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.921 7.859 -25.739 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.201 7.421 -27.412 1.00 0.00 H new ATOM 811 N GLU A 53 7.316 4.863 -25.643 1.00 0.00 N ATOM 812 CA GLU A 53 6.340 3.832 -25.323 1.00 0.00 C ATOM 813 C GLU A 53 5.658 4.183 -24.025 1.00 0.00 C ATOM 814 O GLU A 53 5.333 3.330 -23.202 1.00 0.00 O ATOM 815 CB GLU A 53 7.015 2.465 -25.261 1.00 0.00 C ATOM 816 CG GLU A 53 8.013 2.274 -26.398 1.00 0.00 C ATOM 817 CD GLU A 53 8.268 0.790 -26.655 1.00 0.00 C ATOM 818 OE1 GLU A 53 9.009 0.177 -25.855 1.00 0.00 O ATOM 819 OE2 GLU A 53 7.722 0.276 -27.657 1.00 0.00 O ATOM 0 H GLU A 53 8.253 4.648 -25.301 1.00 0.00 H new ATOM 0 HA GLU A 53 5.582 3.780 -26.105 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.528 2.356 -24.305 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.257 1.683 -25.307 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.632 2.744 -27.305 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.951 2.771 -26.151 1.00 0.00 H new ATOM 826 N TYR A 54 5.453 5.486 -23.883 1.00 0.00 N ATOM 827 CA TYR A 54 4.640 6.101 -22.870 1.00 0.00 C ATOM 828 C TYR A 54 3.412 5.260 -22.526 1.00 0.00 C ATOM 829 O TYR A 54 3.079 5.125 -21.357 1.00 0.00 O ATOM 830 CB TYR A 54 4.105 7.344 -23.532 1.00 0.00 C ATOM 831 CG TYR A 54 5.062 8.331 -24.136 1.00 0.00 C ATOM 832 CD1 TYR A 54 6.224 8.723 -23.466 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.765 8.834 -25.410 1.00 0.00 C ATOM 834 CE1 TYR A 54 7.108 9.616 -24.086 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.675 9.687 -26.054 1.00 0.00 C ATOM 836 CZ TYR A 54 6.845 10.092 -25.384 1.00 0.00 C ATOM 837 OH TYR A 54 7.717 10.939 -25.999 1.00 0.00 O ATOM 0 H TYR A 54 5.877 6.169 -24.511 1.00 0.00 H new ATOM 0 HA TYR A 54 5.225 6.252 -21.963 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.423 7.026 -24.321 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.510 7.878 -22.791 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.439 8.341 -22.479 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.838 8.566 -25.895 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.996 9.941 -23.565 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.478 10.031 -27.059 1.00 0.00 H new ATOM 0 HH TYR A 54 7.379 11.166 -26.890 1.00 0.00 H new ATOM 847 N THR A 55 2.737 4.694 -23.537 1.00 0.00 N ATOM 848 CA THR A 55 1.512 3.934 -23.333 1.00 0.00 C ATOM 849 C THR A 55 1.717 2.891 -22.247 1.00 0.00 C ATOM 850 O THR A 55 0.822 2.596 -21.461 1.00 0.00 O ATOM 851 CB THR A 55 1.103 3.240 -24.629 1.00 0.00 C ATOM 852 OG1 THR A 55 1.169 4.142 -25.710 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.329 2.730 -24.475 1.00 0.00 C ATOM 0 H THR A 55 3.030 4.754 -24.512 1.00 0.00 H new ATOM 0 HA THR A 55 0.724 4.623 -23.027 1.00 0.00 H new ATOM 0 HB THR A 55 1.781 2.411 -24.829 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.906 3.683 -26.535 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.638 2.231 -25.393 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.377 2.025 -23.645 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.995 3.570 -24.277 1.00 0.00 H new ATOM 861 N GLN A 56 2.932 2.352 -22.240 1.00 0.00 N ATOM 862 CA GLN A 56 3.391 1.363 -21.282 1.00 0.00 C ATOM 863 C GLN A 56 3.931 2.036 -20.024 1.00 0.00 C ATOM 864 O GLN A 56 3.682 1.580 -18.912 1.00 0.00 O ATOM 865 CB GLN A 56 4.496 0.537 -21.938 1.00 0.00 C ATOM 866 CG GLN A 56 4.060 -0.038 -23.284 1.00 0.00 C ATOM 867 CD GLN A 56 2.810 -0.892 -23.159 1.00 0.00 C ATOM 868 OE1 GLN A 56 1.648 -0.266 -23.321 1.00 0.00 O flip ATOM 869 NE2 GLN A 56 2.883 -2.093 -22.919 1.00 0.00 N flip ATOM 0 H GLN A 56 3.645 2.603 -22.925 1.00 0.00 H new ATOM 0 HA GLN A 56 2.556 0.725 -20.992 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.379 1.160 -22.079 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.784 -0.277 -21.272 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.874 0.777 -23.983 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.869 -0.638 -23.701 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.795 -2.535 -22.802 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.032 -2.649 -22.837 1.00 0.00 H new ATOM 878 N ALA A 57 4.672 3.130 -20.203 1.00 0.00 N ATOM 879 CA ALA A 57 5.230 3.906 -19.106 1.00 0.00 C ATOM 880 C ALA A 57 4.157 4.378 -18.126 1.00 0.00 C ATOM 881 O ALA A 57 4.379 4.400 -16.916 1.00 0.00 O ATOM 882 CB ALA A 57 5.923 5.122 -19.709 1.00 0.00 C ATOM 0 H ALA A 57 4.901 3.502 -21.125 1.00 0.00 H new ATOM 0 HA ALA A 57 5.923 3.276 -18.548 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.354 5.728 -18.912 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.714 4.793 -20.383 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.197 5.716 -20.264 1.00 0.00 H new ATOM 888 N ILE A 58 2.992 4.757 -18.655 1.00 0.00 N ATOM 889 CA ILE A 58 1.867 5.231 -17.868 1.00 0.00 C ATOM 890 C ILE A 58 1.417 4.117 -16.932 1.00 0.00 C ATOM 891 O ILE A 58 1.014 4.387 -15.805 1.00 0.00 O ATOM 892 CB ILE A 58 0.743 5.629 -18.834 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.192 6.783 -19.738 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.535 6.057 -18.111 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.443 6.709 -21.069 1.00 0.00 C ATOM 0 H ILE A 58 2.807 4.741 -19.658 1.00 0.00 H new ATOM 0 HA ILE A 58 2.142 6.096 -17.265 1.00 0.00 H new ATOM 0 HB ILE A 58 0.525 4.739 -19.424 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.996 7.738 -19.251 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.267 6.727 -19.910 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.295 6.327 -18.844 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.899 5.233 -17.498 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.323 6.916 -17.475 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.762 7.529 -21.712 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.661 5.759 -21.557 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.629 6.786 -20.888 1.00 0.00 H new ATOM 907 N GLN A 59 1.489 2.864 -17.396 1.00 0.00 N ATOM 908 CA GLN A 59 1.107 1.714 -16.606 1.00 0.00 C ATOM 909 C GLN A 59 2.158 1.408 -15.546 1.00 0.00 C ATOM 910 O GLN A 59 1.818 0.990 -14.442 1.00 0.00 O ATOM 911 CB GLN A 59 0.965 0.512 -17.536 1.00 0.00 C ATOM 912 CG GLN A 59 -0.010 0.748 -18.676 1.00 0.00 C ATOM 913 CD GLN A 59 -1.270 1.440 -18.195 1.00 0.00 C ATOM 914 OE1 GLN A 59 -1.967 0.956 -17.306 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.569 2.587 -18.784 1.00 0.00 N ATOM 0 H GLN A 59 1.816 2.631 -18.334 1.00 0.00 H new ATOM 0 HA GLN A 59 0.164 1.926 -16.102 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.943 0.263 -17.949 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.634 -0.350 -16.957 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.468 1.354 -19.445 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.270 -0.205 -19.137 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.965 2.956 -19.518 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.404 3.102 -18.504 1.00 0.00 H new ATOM 924 N MET A 60 3.435 1.617 -15.877 1.00 0.00 N ATOM 925 CA MET A 60 4.535 1.375 -14.947 1.00 0.00 C ATOM 926 C MET A 60 4.504 2.358 -13.784 1.00 0.00 C ATOM 927 O MET A 60 4.712 1.967 -12.638 1.00 0.00 O ATOM 928 CB MET A 60 5.879 1.532 -15.660 1.00 0.00 C ATOM 929 CG MET A 60 6.117 0.567 -16.822 1.00 0.00 C ATOM 930 SD MET A 60 5.932 -1.192 -16.442 1.00 0.00 S ATOM 931 CE MET A 60 4.197 -1.389 -16.914 1.00 0.00 C ATOM 0 H MET A 60 3.732 1.957 -16.792 1.00 0.00 H new ATOM 0 HA MET A 60 4.418 0.359 -14.570 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.956 2.553 -16.035 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.677 1.400 -14.930 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.425 0.820 -17.626 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.124 0.732 -17.205 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.016 -2.421 -17.213 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.559 -1.140 -16.066 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.969 -0.725 -17.747 1.00 0.00 H new ATOM 941 N CYS A 61 4.246 3.634 -14.064 1.00 0.00 N ATOM 942 CA CYS A 61 4.309 4.659 -13.039 1.00 0.00 C ATOM 943 C CYS A 61 3.187 4.465 -12.019 1.00 0.00 C ATOM 944 O CYS A 61 3.437 4.371 -10.823 1.00 0.00 O ATOM 945 CB CYS A 61 4.222 6.024 -13.709 1.00 0.00 C ATOM 946 SG CYS A 61 5.690 6.256 -14.742 1.00 0.00 S ATOM 0 H CYS A 61 3.993 3.976 -14.991 1.00 0.00 H new ATOM 0 HA CYS A 61 5.252 4.588 -12.497 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.319 6.091 -14.315 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.160 6.811 -12.957 1.00 0.00 H new ATOM 0 HG CYS A 61 5.542 5.607 -15.858 1.00 0.00 H new ATOM 952 N GLN A 62 1.937 4.396 -12.471 1.00 0.00 N ATOM 953 CA GLN A 62 0.831 4.108 -11.569 1.00 0.00 C ATOM 954 C GLN A 62 1.010 2.787 -10.799 1.00 0.00 C ATOM 955 O GLN A 62 0.486 2.656 -9.697 1.00 0.00 O ATOM 956 CB GLN A 62 -0.494 4.178 -12.321 1.00 0.00 C ATOM 957 CG GLN A 62 -0.577 3.232 -13.517 1.00 0.00 C ATOM 958 CD GLN A 62 -1.514 2.068 -13.234 1.00 0.00 C ATOM 959 OE1 GLN A 62 -1.018 1.056 -12.537 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 -2.676 2.075 -13.632 1.00 0.00 N flip ATOM 0 H GLN A 62 1.669 4.534 -13.445 1.00 0.00 H new ATOM 0 HA GLN A 62 0.822 4.880 -10.800 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.305 3.947 -11.630 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.651 5.200 -12.667 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.926 3.779 -14.393 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.417 2.853 -13.754 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.027 2.870 -14.166 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.290 1.286 -13.428 1.00 0.00 H new ATOM 969 N GLN A 63 1.738 1.806 -11.349 1.00 0.00 N ATOM 970 CA GLN A 63 2.123 0.608 -10.618 1.00 0.00 C ATOM 971 C GLN A 63 3.104 0.961 -9.513 1.00 0.00 C ATOM 972 O GLN A 63 2.897 0.542 -8.382 1.00 0.00 O ATOM 973 CB GLN A 63 2.795 -0.372 -11.585 1.00 0.00 C ATOM 974 CG GLN A 63 2.071 -1.712 -11.676 1.00 0.00 C ATOM 975 CD GLN A 63 0.632 -1.580 -12.150 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.291 -1.512 -11.343 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.425 -1.543 -13.463 1.00 0.00 N ATOM 0 H GLN A 63 2.072 1.828 -12.312 1.00 0.00 H new ATOM 0 HA GLN A 63 1.234 0.157 -10.177 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.840 0.078 -12.577 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.823 -0.542 -11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.614 -2.366 -12.358 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.083 -2.192 -10.697 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.215 -1.602 -14.106 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.524 -1.456 -13.827 1.00 0.00 H new ATOM 986 N GLY A 64 4.162 1.718 -9.808 1.00 0.00 N ATOM 987 CA GLY A 64 5.116 2.131 -8.795 1.00 0.00 C ATOM 988 C GLY A 64 4.437 2.629 -7.512 1.00 0.00 C ATOM 989 O GLY A 64 4.939 2.375 -6.422 1.00 0.00 O ATOM 0 H GLY A 64 4.374 2.055 -10.747 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.770 1.293 -8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.748 2.922 -9.198 1.00 0.00 H new ATOM 993 N LEU A 65 3.300 3.330 -7.625 1.00 0.00 N ATOM 994 CA LEU A 65 2.586 3.909 -6.487 1.00 0.00 C ATOM 995 C LEU A 65 1.955 2.857 -5.570 1.00 0.00 C ATOM 996 O LEU A 65 1.420 3.194 -4.514 1.00 0.00 O ATOM 997 CB LEU A 65 1.491 4.847 -6.997 1.00 0.00 C ATOM 998 CG LEU A 65 2.113 6.033 -7.728 1.00 0.00 C ATOM 999 CD1 LEU A 65 1.035 6.770 -8.508 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.773 6.998 -6.738 1.00 0.00 C ATOM 0 H LEU A 65 2.848 3.511 -8.521 1.00 0.00 H new ATOM 0 HA LEU A 65 3.324 4.450 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.822 4.307 -7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.887 5.201 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 65 2.876 5.658 -8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.479 7.617 -9.030 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.583 6.093 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.269 7.129 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.210 7.835 -7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.024 7.370 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.555 6.476 -6.188 1.00 0.00 H new ATOM 1012 N ARG A 66 2.013 1.588 -5.961 1.00 0.00 N ATOM 1013 CA ARG A 66 1.487 0.468 -5.199 1.00 0.00 C ATOM 1014 C ARG A 66 2.558 0.011 -4.221 1.00 0.00 C ATOM 1015 O ARG A 66 2.302 -0.743 -3.284 1.00 0.00 O ATOM 1016 CB ARG A 66 1.214 -0.620 -6.222 1.00 0.00 C ATOM 1017 CG ARG A 66 0.128 -0.167 -7.187 1.00 0.00 C ATOM 1018 CD ARG A 66 -0.123 -1.269 -8.202 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.734 -2.447 -7.576 1.00 0.00 N ATOM 1020 CZ ARG A 66 -1.307 -3.448 -8.252 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.366 -3.421 -9.582 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -1.826 -4.481 -7.597 1.00 0.00 N ATOM 0 H ARG A 66 2.440 1.306 -6.843 1.00 0.00 H new ATOM 0 HA ARG A 66 0.588 0.718 -4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.127 -0.851 -6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.905 -1.536 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.789 0.059 -6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.432 0.749 -7.693 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.775 -0.896 -8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.818 -1.553 -8.673 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.721 -2.506 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.972 -2.632 -10.094 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.805 -4.190 -10.089 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.787 -4.510 -6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.263 -5.245 -8.113 1.00 0.00 H new ATOM 1036 N TYR A 67 3.766 0.506 -4.485 1.00 0.00 N ATOM 1037 CA TYR A 67 4.997 0.184 -3.795 1.00 0.00 C ATOM 1038 C TYR A 67 5.689 1.411 -3.194 1.00 0.00 C ATOM 1039 O TYR A 67 6.913 1.437 -3.114 1.00 0.00 O ATOM 1040 CB TYR A 67 5.869 -0.490 -4.848 1.00 0.00 C ATOM 1041 CG TYR A 67 5.112 -1.578 -5.565 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.898 -2.831 -4.976 1.00 0.00 C ATOM 1043 CD2 TYR A 67 4.584 -1.301 -6.830 1.00 0.00 C ATOM 1044 CE1 TYR A 67 4.167 -3.812 -5.663 1.00 0.00 C ATOM 1045 CE2 TYR A 67 3.842 -2.264 -7.518 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.633 -3.533 -6.942 1.00 0.00 C ATOM 1047 OH TYR A 67 2.914 -4.477 -7.608 1.00 0.00 O ATOM 0 H TYR A 67 3.912 1.183 -5.234 1.00 0.00 H new ATOM 0 HA TYR A 67 4.805 -0.460 -2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.214 0.252 -5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.756 -0.911 -4.375 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.295 -3.042 -3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.752 -0.333 -7.279 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.012 -4.782 -5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.429 -2.036 -8.490 1.00 0.00 H new ATOM 0 HH TYR A 67 2.622 -4.117 -8.471 1.00 0.00 H new ATOM 1057 N THR A 68 4.925 2.423 -2.770 1.00 0.00 N ATOM 1058 CA THR A 68 5.485 3.638 -2.173 1.00 0.00 C ATOM 1059 C THR A 68 4.804 3.967 -0.844 1.00 0.00 C ATOM 1060 O THR A 68 4.780 5.124 -0.425 1.00 0.00 O ATOM 1061 CB THR A 68 5.386 4.819 -3.141 1.00 0.00 C ATOM 1062 OG1 THR A 68 4.057 4.988 -3.584 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.292 4.610 -4.349 1.00 0.00 C ATOM 0 H THR A 68 3.907 2.423 -2.831 1.00 0.00 H new ATOM 0 HA THR A 68 6.540 3.452 -1.971 1.00 0.00 H new ATOM 0 HB THR A 68 5.706 5.712 -2.605 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.738 5.879 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.204 5.463 -5.022 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.326 4.516 -4.017 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.995 3.702 -4.874 1.00 0.00 H new ATOM 1071 N SER A 69 4.248 2.952 -0.181 1.00 0.00 N ATOM 1072 CA SER A 69 3.585 3.083 1.111 1.00 0.00 C ATOM 1073 C SER A 69 4.537 3.479 2.247 1.00 0.00 C ATOM 1074 O SER A 69 4.126 3.511 3.406 1.00 0.00 O ATOM 1075 CB SER A 69 2.932 1.751 1.464 1.00 0.00 C ATOM 1076 OG SER A 69 1.909 1.445 0.538 1.00 0.00 O ATOM 0 H SER A 69 4.248 1.996 -0.538 1.00 0.00 H new ATOM 0 HA SER A 69 2.851 3.883 1.014 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.681 0.959 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.518 1.797 2.471 1.00 0.00 H new ATOM 0 HG SER A 69 1.499 0.587 0.775 1.00 0.00 H new ATOM 1082 N THR A 70 5.795 3.774 1.926 1.00 0.00 N ATOM 1083 CA THR A 70 6.825 4.097 2.911 1.00 0.00 C ATOM 1084 C THR A 70 7.715 5.241 2.431 1.00 0.00 C ATOM 1085 O THR A 70 7.841 5.489 1.233 1.00 0.00 O ATOM 1086 CB THR A 70 7.643 2.833 3.208 1.00 0.00 C ATOM 1087 OG1 THR A 70 8.725 3.156 4.058 1.00 0.00 O ATOM 1088 CG2 THR A 70 8.185 2.207 1.919 1.00 0.00 C ATOM 0 H THR A 70 6.132 3.796 0.963 1.00 0.00 H new ATOM 0 HA THR A 70 6.350 4.439 3.830 1.00 0.00 H new ATOM 0 HB THR A 70 6.986 2.112 3.694 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.245 2.347 4.248 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.760 1.314 2.162 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.353 1.937 1.268 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.828 2.924 1.408 1.00 0.00 H new ATOM 1096 N ALA A 71 8.341 5.943 3.383 1.00 0.00 N ATOM 1097 CA ALA A 71 9.127 7.140 3.118 1.00 0.00 C ATOM 1098 C ALA A 71 10.504 6.843 2.520 1.00 0.00 C ATOM 1099 O ALA A 71 11.219 7.776 2.163 1.00 0.00 O ATOM 1100 CB ALA A 71 9.276 7.939 4.413 1.00 0.00 C ATOM 0 H ALA A 71 8.312 5.687 4.370 1.00 0.00 H new ATOM 0 HA ALA A 71 8.589 7.720 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.864 8.837 4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.290 8.223 4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.781 7.328 5.161 1.00 0.00 H new ATOM 1106 N GLU A 72 10.904 5.576 2.395 1.00 0.00 N ATOM 1107 CA GLU A 72 12.108 5.248 1.643 1.00 0.00 C ATOM 1108 C GLU A 72 11.824 5.344 0.147 1.00 0.00 C ATOM 1109 O GLU A 72 12.752 5.404 -0.658 1.00 0.00 O ATOM 1110 CB GLU A 72 12.587 3.839 1.991 1.00 0.00 C ATOM 1111 CG GLU A 72 11.514 2.789 1.740 1.00 0.00 C ATOM 1112 CD GLU A 72 11.966 1.418 2.238 1.00 0.00 C ATOM 1113 OE1 GLU A 72 12.737 0.760 1.503 1.00 0.00 O ATOM 1114 OE2 GLU A 72 11.540 1.034 3.351 1.00 0.00 O ATOM 0 H GLU A 72 10.419 4.775 2.799 1.00 0.00 H new ATOM 0 HA GLU A 72 12.891 5.958 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.471 3.601 1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.886 3.807 3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.592 3.078 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.292 2.738 0.674 1.00 0.00 H new ATOM 1121 N HIS A 73 10.537 5.360 -0.214 1.00 0.00 N ATOM 1122 CA HIS A 73 10.091 5.327 -1.595 1.00 0.00 C ATOM 1123 C HIS A 73 9.294 6.582 -1.948 1.00 0.00 C ATOM 1124 O HIS A 73 8.583 6.610 -2.946 1.00 0.00 O ATOM 1125 CB HIS A 73 9.279 4.051 -1.841 1.00 0.00 C ATOM 1126 CG HIS A 73 10.078 2.772 -1.840 1.00 0.00 C ATOM 1127 ND1 HIS A 73 9.541 1.487 -1.931 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.437 2.676 -1.771 1.00 0.00 C ATOM 1129 CE1 HIS A 73 10.592 0.654 -1.937 1.00 0.00 C ATOM 1130 NE2 HIS A 73 11.744 1.339 -1.836 1.00 0.00 N ATOM 0 H HIS A 73 9.772 5.397 0.460 1.00 0.00 H new ATOM 0 HA HIS A 73 10.962 5.314 -2.250 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.506 3.978 -1.076 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.770 4.142 -2.801 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.554 1.234 -1.982 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.137 3.494 -1.682 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.522 -0.421 -2.013 1.00 0.00 H new ATOM 1138 N VAL A 74 9.398 7.635 -1.135 1.00 0.00 N ATOM 1139 CA VAL A 74 8.782 8.915 -1.461 1.00 0.00 C ATOM 1140 C VAL A 74 9.496 9.555 -2.651 1.00 0.00 C ATOM 1141 O VAL A 74 8.887 10.270 -3.443 1.00 0.00 O ATOM 1142 CB VAL A 74 8.845 9.833 -0.243 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.277 10.116 0.209 1.00 0.00 C ATOM 1144 CG2 VAL A 74 8.184 11.161 -0.579 1.00 0.00 C ATOM 0 H VAL A 74 9.903 7.623 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 74 7.739 8.756 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 74 8.328 9.320 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.261 10.774 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.767 9.179 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.826 10.598 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.227 11.819 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.707 11.627 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.143 10.990 -0.853 1.00 0.00 H new ATOM 1154 N ALA A 75 10.798 9.286 -2.762 1.00 0.00 N ATOM 1155 CA ALA A 75 11.642 9.766 -3.848 1.00 0.00 C ATOM 1156 C ALA A 75 11.047 9.376 -5.188 1.00 0.00 C ATOM 1157 O ALA A 75 10.966 10.156 -6.131 1.00 0.00 O ATOM 1158 CB ALA A 75 12.976 9.038 -3.729 1.00 0.00 C ATOM 0 H ALA A 75 11.302 8.716 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 75 11.740 10.850 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.643 9.368 -4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.427 9.261 -2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.813 7.964 -3.814 1.00 0.00 H new ATOM 1164 N ILE A 76 10.631 8.117 -5.217 1.00 0.00 N ATOM 1165 CA ILE A 76 10.047 7.412 -6.324 1.00 0.00 C ATOM 1166 C ILE A 76 8.628 7.866 -6.579 1.00 0.00 C ATOM 1167 O ILE A 76 8.208 8.009 -7.723 1.00 0.00 O ATOM 1168 CB ILE A 76 10.027 5.985 -5.817 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.411 5.377 -5.984 1.00 0.00 C ATOM 1170 CG2 ILE A 76 8.910 5.160 -6.426 1.00 0.00 C ATOM 1171 CD1 ILE A 76 11.474 4.578 -7.269 1.00 0.00 C ATOM 0 H ILE A 76 10.705 7.523 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 76 10.590 7.562 -7.257 1.00 0.00 H new ATOM 0 HB ILE A 76 9.792 5.987 -4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.164 6.165 -5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.640 4.734 -5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.946 4.147 -6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.949 5.613 -6.182 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.031 5.126 -7.509 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.469 4.146 -7.381 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.733 3.779 -7.237 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.266 5.233 -8.115 1.00 0.00 H new ATOM 1183 N ARG A 77 7.885 8.095 -5.496 1.00 0.00 N ATOM 1184 CA ARG A 77 6.509 8.542 -5.602 1.00 0.00 C ATOM 1185 C ARG A 77 6.452 9.841 -6.393 1.00 0.00 C ATOM 1186 O ARG A 77 5.484 10.123 -7.092 1.00 0.00 O ATOM 1187 CB ARG A 77 5.936 8.733 -4.203 1.00 0.00 C ATOM 1188 CG ARG A 77 4.416 8.848 -4.283 1.00 0.00 C ATOM 1189 CD ARG A 77 3.940 9.514 -3.002 1.00 0.00 C ATOM 1190 NE ARG A 77 2.474 9.579 -2.947 1.00 0.00 N ATOM 1191 CZ ARG A 77 1.737 10.561 -3.484 1.00 0.00 C ATOM 1192 NH1 ARG A 77 2.309 11.582 -4.115 1.00 0.00 N ATOM 1193 NH2 ARG A 77 0.412 10.518 -3.386 1.00 0.00 N ATOM 0 H ARG A 77 8.219 7.977 -4.539 1.00 0.00 H new ATOM 0 HA ARG A 77 5.913 7.795 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.214 7.892 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.355 9.630 -3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.121 9.435 -5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.962 7.863 -4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.314 8.960 -2.141 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.353 10.521 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 77 1.983 8.825 -2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.325 11.627 -4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.732 12.321 -4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.039 9.740 -2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.154 11.263 -3.793 1.00 0.00 H new ATOM 1207 N SER A 78 7.514 10.632 -6.272 1.00 0.00 N ATOM 1208 CA SER A 78 7.686 11.866 -7.015 1.00 0.00 C ATOM 1209 C SER A 78 7.928 11.596 -8.499 1.00 0.00 C ATOM 1210 O SER A 78 7.600 12.435 -9.338 1.00 0.00 O ATOM 1211 CB SER A 78 8.901 12.585 -6.425 1.00 0.00 C ATOM 1212 OG SER A 78 9.004 13.898 -6.938 1.00 0.00 O ATOM 0 H SER A 78 8.290 10.426 -5.643 1.00 0.00 H new ATOM 0 HA SER A 78 6.782 12.470 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.817 12.619 -5.339 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.808 12.027 -6.657 1.00 0.00 H new ATOM 0 HG SER A 78 9.786 14.341 -6.548 1.00 0.00 H new ATOM 1218 N LYS A 79 8.497 10.431 -8.840 1.00 0.00 N ATOM 1219 CA LYS A 79 8.791 10.111 -10.229 1.00 0.00 C ATOM 1220 C LYS A 79 7.573 9.505 -10.907 1.00 0.00 C ATOM 1221 O LYS A 79 7.284 9.812 -12.061 1.00 0.00 O ATOM 1222 CB LYS A 79 9.956 9.120 -10.262 1.00 0.00 C ATOM 1223 CG LYS A 79 11.177 9.722 -9.569 1.00 0.00 C ATOM 1224 CD LYS A 79 12.338 8.733 -9.551 1.00 0.00 C ATOM 1225 CE LYS A 79 13.488 9.407 -8.813 1.00 0.00 C ATOM 1226 NZ LYS A 79 14.685 8.553 -8.774 1.00 0.00 N ATOM 0 H LYS A 79 8.758 9.705 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 79 9.057 11.022 -10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.668 8.192 -9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.201 8.869 -11.294 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.479 10.634 -10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.918 10.003 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.049 7.808 -9.051 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.634 8.468 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.730 10.351 -9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.178 9.645 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.457 9.058 -8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.470 7.677 -8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.976 8.319 -9.745 1.00 0.00 H new ATOM 1240 N LEU A 80 6.851 8.644 -10.190 1.00 0.00 N ATOM 1241 CA LEU A 80 5.664 7.965 -10.701 1.00 0.00 C ATOM 1242 C LEU A 80 4.536 8.937 -11.038 1.00 0.00 C ATOM 1243 O LEU A 80 3.513 8.531 -11.575 1.00 0.00 O ATOM 1244 CB LEU A 80 5.175 6.994 -9.633 1.00 0.00 C ATOM 1245 CG LEU A 80 5.974 5.690 -9.515 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.353 5.658 -10.169 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.084 5.351 -8.038 1.00 0.00 C ATOM 0 H LEU A 80 7.078 8.397 -9.227 1.00 0.00 H new ATOM 0 HA LEU A 80 5.938 7.450 -11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.195 7.501 -8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.134 6.745 -9.841 1.00 0.00 H new ATOM 0 HG LEU A 80 5.417 4.948 -10.087 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.808 4.680 -10.011 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.253 5.843 -11.239 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.984 6.428 -9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.648 4.426 -7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.597 6.159 -7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.086 5.224 -7.618 1.00 0.00 H new ATOM 1259 N GLN A 81 4.720 10.216 -10.721 1.00 0.00 N ATOM 1260 CA GLN A 81 3.823 11.299 -11.037 1.00 0.00 C ATOM 1261 C GLN A 81 4.343 12.211 -12.147 1.00 0.00 C ATOM 1262 O GLN A 81 3.561 12.934 -12.757 1.00 0.00 O ATOM 1263 CB GLN A 81 3.783 12.090 -9.734 1.00 0.00 C ATOM 1264 CG GLN A 81 2.661 11.681 -8.800 1.00 0.00 C ATOM 1265 CD GLN A 81 2.301 10.214 -8.865 1.00 0.00 C ATOM 1266 OE1 GLN A 81 1.284 9.842 -9.442 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.138 9.382 -8.271 1.00 0.00 N ATOM 0 H GLN A 81 5.545 10.530 -10.210 1.00 0.00 H new ATOM 0 HA GLN A 81 2.863 10.926 -11.393 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.735 11.968 -9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.680 13.150 -9.967 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.947 11.928 -7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.775 12.271 -9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.970 9.743 -7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.952 8.379 -8.279 1.00 0.00 H new ATOM 1276 N TYR A 82 5.650 12.190 -12.421 1.00 0.00 N ATOM 1277 CA TYR A 82 6.244 13.038 -13.447 1.00 0.00 C ATOM 1278 C TYR A 82 6.114 12.412 -14.828 1.00 0.00 C ATOM 1279 O TYR A 82 5.370 12.900 -15.678 1.00 0.00 O ATOM 1280 CB TYR A 82 7.729 13.227 -13.138 1.00 0.00 C ATOM 1281 CG TYR A 82 8.571 13.587 -14.342 1.00 0.00 C ATOM 1282 CD1 TYR A 82 8.430 14.829 -14.978 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.498 12.651 -14.823 1.00 0.00 C ATOM 1284 CE1 TYR A 82 9.234 15.140 -16.083 1.00 0.00 C ATOM 1285 CE2 TYR A 82 10.330 12.966 -15.907 1.00 0.00 C ATOM 1286 CZ TYR A 82 10.193 14.214 -16.548 1.00 0.00 C ATOM 1287 OH TYR A 82 10.984 14.530 -17.612 1.00 0.00 O ATOM 0 H TYR A 82 6.318 11.588 -11.940 1.00 0.00 H new ATOM 0 HA TYR A 82 5.718 13.993 -13.445 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.836 14.009 -12.387 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.117 12.308 -12.699 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.704 15.543 -14.618 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.572 11.680 -14.355 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.120 16.092 -16.581 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.070 12.258 -16.248 1.00 0.00 H new ATOM 0 HH TYR A 82 11.590 13.784 -17.802 1.00 0.00 H new ATOM 1297 N ARG A 83 6.848 11.319 -15.059 1.00 0.00 N ATOM 1298 CA ARG A 83 6.887 10.690 -16.368 1.00 0.00 C ATOM 1299 C ARG A 83 5.599 9.910 -16.612 1.00 0.00 C ATOM 1300 O ARG A 83 5.373 9.407 -17.710 1.00 0.00 O ATOM 1301 CB ARG A 83 8.171 9.865 -16.549 1.00 0.00 C ATOM 1302 CG ARG A 83 8.208 8.552 -15.767 1.00 0.00 C ATOM 1303 CD ARG A 83 8.715 8.740 -14.340 1.00 0.00 C ATOM 1304 NE ARG A 83 10.182 8.733 -14.269 1.00 0.00 N ATOM 1305 CZ ARG A 83 10.886 7.892 -13.503 1.00 0.00 C ATOM 1306 NH1 ARG A 83 10.276 6.937 -12.812 1.00 0.00 N ATOM 1307 NH2 ARG A 83 12.208 8.003 -13.416 1.00 0.00 N ATOM 0 H ARG A 83 7.420 10.857 -14.352 1.00 0.00 H new ATOM 0 HA ARG A 83 6.931 11.455 -17.143 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.297 9.643 -17.609 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.023 10.475 -16.248 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.208 8.120 -15.740 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.849 7.840 -16.287 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.338 9.683 -13.943 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.318 7.946 -13.707 1.00 0.00 H new ATOM 0 HE ARG A 83 10.694 9.409 -14.837 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.262 6.840 -12.862 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.821 6.301 -12.231 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.694 8.734 -13.936 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.737 7.357 -12.829 1.00 0.00 H new ATOM 1321 N LEU A 84 4.756 9.818 -15.580 1.00 0.00 N ATOM 1322 CA LEU A 84 3.408 9.298 -15.709 1.00 0.00 C ATOM 1323 C LEU A 84 2.573 10.261 -16.538 1.00 0.00 C ATOM 1324 O LEU A 84 1.737 9.827 -17.324 1.00 0.00 O ATOM 1325 CB LEU A 84 2.791 9.195 -14.310 1.00 0.00 C ATOM 1326 CG LEU A 84 1.266 9.097 -14.283 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.740 7.904 -15.078 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.823 8.995 -12.825 1.00 0.00 C ATOM 0 H LEU A 84 4.998 10.105 -14.632 1.00 0.00 H new ATOM 0 HA LEU A 84 3.432 8.321 -16.192 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.205 8.320 -13.810 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.095 10.067 -13.730 1.00 0.00 H new ATOM 0 HG LEU A 84 0.853 9.988 -14.756 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.348 7.883 -15.025 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.051 7.995 -16.119 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.142 6.982 -14.659 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.264 8.924 -12.779 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.264 8.107 -12.372 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.152 9.881 -12.282 1.00 0.00 H new ATOM 1340 N GLU A 85 2.791 11.563 -16.368 1.00 0.00 N ATOM 1341 CA GLU A 85 1.923 12.578 -16.940 1.00 0.00 C ATOM 1342 C GLU A 85 2.339 12.948 -18.356 1.00 0.00 C ATOM 1343 O GLU A 85 1.495 13.104 -19.236 1.00 0.00 O ATOM 1344 CB GLU A 85 2.007 13.815 -16.058 1.00 0.00 C ATOM 1345 CG GLU A 85 1.269 13.548 -14.755 1.00 0.00 C ATOM 1346 CD GLU A 85 -0.246 13.521 -14.950 1.00 0.00 C ATOM 1347 OE1 GLU A 85 -0.799 14.579 -15.329 1.00 0.00 O ATOM 1348 OE2 GLU A 85 -0.841 12.447 -14.715 1.00 0.00 O ATOM 0 H GLU A 85 3.573 11.939 -15.831 1.00 0.00 H new ATOM 0 HA GLU A 85 0.907 12.186 -16.987 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.049 14.063 -15.856 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.569 14.672 -16.570 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.598 12.595 -14.341 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.527 14.318 -14.028 1.00 0.00 H new ATOM 1355 N LEU A 86 3.646 13.085 -18.576 1.00 0.00 N ATOM 1356 CA LEU A 86 4.162 13.501 -19.869 1.00 0.00 C ATOM 1357 C LEU A 86 3.948 12.411 -20.914 1.00 0.00 C ATOM 1358 O LEU A 86 3.657 12.711 -22.071 1.00 0.00 O ATOM 1359 CB LEU A 86 5.635 13.881 -19.698 1.00 0.00 C ATOM 1360 CG LEU A 86 6.612 12.709 -19.782 1.00 0.00 C ATOM 1361 CD1 LEU A 86 6.994 12.436 -21.240 1.00 0.00 C ATOM 1362 CD2 LEU A 86 7.869 13.075 -18.997 1.00 0.00 C ATOM 0 H LEU A 86 4.363 12.913 -17.872 1.00 0.00 H new ATOM 0 HA LEU A 86 3.621 14.373 -20.236 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.899 14.611 -20.463 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.760 14.371 -18.733 1.00 0.00 H new ATOM 0 HG LEU A 86 6.144 11.815 -19.369 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.690 11.599 -21.283 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.098 12.193 -21.811 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.466 13.322 -21.665 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.580 12.251 -19.044 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.320 13.969 -19.428 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.605 13.267 -17.957 1.00 0.00 H new ATOM 1374 N ALA A 87 4.092 11.146 -20.505 1.00 0.00 N ATOM 1375 CA ALA A 87 3.884 9.990 -21.330 1.00 0.00 C ATOM 1376 C ALA A 87 2.468 10.027 -21.895 1.00 0.00 C ATOM 1377 O ALA A 87 2.295 10.137 -23.103 1.00 0.00 O ATOM 1378 CB ALA A 87 4.108 8.771 -20.440 1.00 0.00 C ATOM 0 H ALA A 87 4.367 10.909 -19.552 1.00 0.00 H new ATOM 0 HA ALA A 87 4.569 9.957 -22.177 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.961 7.862 -21.024 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.125 8.789 -20.047 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.399 8.789 -19.612 1.00 0.00 H new ATOM 1384 N GLN A 88 1.443 9.940 -21.040 1.00 0.00 N ATOM 1385 CA GLN A 88 0.059 9.973 -21.495 1.00 0.00 C ATOM 1386 C GLN A 88 -0.295 11.275 -22.199 1.00 0.00 C ATOM 1387 O GLN A 88 -1.278 11.341 -22.937 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.904 9.738 -20.344 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.689 10.685 -19.174 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.654 10.386 -18.035 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -2.867 10.516 -18.185 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -1.123 9.980 -16.886 1.00 0.00 N ATOM 0 H GLN A 88 1.551 9.846 -20.030 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.040 9.164 -22.219 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.926 9.847 -20.707 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.798 8.711 -19.995 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.337 10.597 -18.817 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.824 11.714 -19.507 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.111 9.883 -16.798 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.727 9.765 -16.093 1.00 0.00 H new ATOM 1401 N GLY A 89 0.507 12.313 -21.970 1.00 0.00 N ATOM 1402 CA GLY A 89 0.333 13.603 -22.611 1.00 0.00 C ATOM 1403 C GLY A 89 1.015 13.624 -23.976 1.00 0.00 C ATOM 1404 O GLY A 89 1.060 14.662 -24.635 1.00 0.00 O ATOM 0 H GLY A 89 1.300 12.276 -21.329 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.730 13.817 -22.727 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.749 14.388 -21.979 1.00 0.00 H new ATOM 1408 N ALA A 90 1.543 12.470 -24.392 1.00 0.00 N ATOM 1409 CA ALA A 90 2.174 12.262 -25.682 1.00 0.00 C ATOM 1410 C ALA A 90 1.615 11.002 -26.354 1.00 0.00 C ATOM 1411 O ALA A 90 2.035 10.645 -27.452 1.00 0.00 O ATOM 1412 CB ALA A 90 3.679 12.126 -25.476 1.00 0.00 C ATOM 0 H ALA A 90 1.539 11.630 -23.814 1.00 0.00 H new ATOM 0 HA ALA A 90 1.966 13.113 -26.331 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.165 11.969 -26.439 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.067 13.035 -25.017 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.882 11.276 -24.824 1.00 0.00 H new ATOM 1833 N VAL B 708 17.189 7.919 -13.256 1.00 0.00 N ATOM 1834 CA VAL B 708 16.660 6.574 -13.029 1.00 0.00 C ATOM 1835 C VAL B 708 16.132 6.349 -11.606 1.00 0.00 C ATOM 1836 O VAL B 708 15.945 7.310 -10.860 1.00 0.00 O ATOM 1837 CB VAL B 708 17.630 5.489 -13.523 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.462 5.979 -14.696 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.596 4.972 -12.465 1.00 0.00 C ATOM 0 HA VAL B 708 15.768 6.482 -13.649 1.00 0.00 H new ATOM 0 HB VAL B 708 16.974 4.668 -13.814 1.00 0.00 H new ATOM 0 HG11 VAL B 708 19.137 5.187 -15.020 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.803 6.254 -15.520 1.00 0.00 H new ATOM 0 HG13 VAL B 708 19.044 6.849 -14.391 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.241 4.210 -12.903 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.206 5.796 -12.096 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.033 4.539 -11.638 1.00 0.00 H new ATOM 1849 N ASP B 709 15.893 5.083 -11.236 1.00 0.00 N ATOM 1850 CA ASP B 709 15.227 4.670 -10.000 1.00 0.00 C ATOM 1851 C ASP B 709 14.066 5.608 -9.661 1.00 0.00 C ATOM 1852 O ASP B 709 13.305 5.927 -10.608 1.00 0.00 O ATOM 1853 CB ASP B 709 16.220 4.476 -8.839 1.00 0.00 C ATOM 1854 CG ASP B 709 17.177 5.653 -8.616 1.00 0.00 C ATOM 1855 OD1 ASP B 709 16.771 6.627 -7.942 1.00 0.00 O ATOM 1856 OD2 ASP B 709 18.319 5.566 -9.123 1.00 0.00 O ATOM 1857 OXT ASP B 709 13.938 5.998 -8.480 1.00 0.00 O ATOM 0 H ASP B 709 16.171 4.290 -11.815 1.00 0.00 H new ATOM 0 HA ASP B 709 14.790 3.686 -10.167 1.00 0.00 H new ATOM 0 HB2 ASP B 709 15.657 4.303 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP B 709 16.807 3.577 -9.027 1.00 0.00 H new