USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 654 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 3 MET CE :methyl -160:sc= -4.89! (180deg=-6.18!) USER MOD Set 1.2: A 7 GLN : amide:sc= -1.24 K(o=-6.1,f=-10!) USER MOD Single : A 1 ALA N :NH3+ -129:sc= 0.0641 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.31) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0301 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0414 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -82:sc= 0.271! USER MOD Single : A 46 MET CE :methyl -123:sc= -3.67! (180deg=-4.22) USER MOD Single : A 48 MET CE :methyl -159:sc=-0.00815 (180deg=-0.38) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0.0854 K(o=0.085,f=-3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -149:sc= -6.76! (180deg=-8.56!) USER MOD Single : A 82 MET CE :methyl -176:sc= -2.9! (180deg=-2.97!) USER MOD Single : A 85 GLN : amide:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 86 MET CE :methyl -105:sc= -0.412 (180deg=-2.08) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.577 -6.732 -13.448 1.00 0.00 N ATOM 2 CA ALA A 1 -10.625 -6.482 -12.419 1.00 0.00 C ATOM 3 C ALA A 1 -10.674 -4.988 -12.091 1.00 0.00 C ATOM 4 O ALA A 1 -10.326 -4.152 -12.901 1.00 0.00 O ATOM 5 CB ALA A 1 -10.296 -7.275 -11.152 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.982 -7.289 -14.228 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.228 -5.824 -13.816 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.789 -7.258 -13.020 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.594 -6.799 -12.803 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.063 -7.092 -10.399 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.264 -8.339 -11.387 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.326 -6.959 -10.767 1.00 0.00 H new ATOM 13 N SER A 2 -11.105 -4.647 -10.907 1.00 0.00 N ATOM 14 CA SER A 2 -11.179 -3.208 -10.525 1.00 0.00 C ATOM 15 C SER A 2 -10.265 -2.951 -9.326 1.00 0.00 C ATOM 16 O SER A 2 -9.268 -2.265 -9.425 1.00 0.00 O ATOM 17 CB SER A 2 -12.619 -2.860 -10.145 1.00 0.00 C ATOM 18 OG SER A 2 -13.409 -2.776 -11.324 1.00 0.00 O ATOM 0 H SER A 2 -11.409 -5.303 -10.188 1.00 0.00 H new ATOM 0 HA SER A 2 -10.860 -2.591 -11.365 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.024 -3.619 -9.475 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.646 -1.913 -9.607 1.00 0.00 H new ATOM 0 HG SER A 2 -14.333 -2.555 -11.084 1.00 0.00 H new ATOM 24 N MET A 3 -10.604 -3.499 -8.195 1.00 0.00 N ATOM 25 CA MET A 3 -9.767 -3.298 -6.980 1.00 0.00 C ATOM 26 C MET A 3 -10.294 -4.199 -5.865 1.00 0.00 C ATOM 27 O MET A 3 -9.543 -4.748 -5.084 1.00 0.00 O ATOM 28 CB MET A 3 -9.847 -1.834 -6.540 1.00 0.00 C ATOM 29 CG MET A 3 -8.509 -1.406 -5.933 1.00 0.00 C ATOM 30 SD MET A 3 -8.113 -2.476 -4.528 1.00 0.00 S ATOM 31 CE MET A 3 -9.595 -2.126 -3.551 1.00 0.00 C ATOM 0 H MET A 3 -11.430 -4.081 -8.058 1.00 0.00 H new ATOM 0 HA MET A 3 -8.729 -3.548 -7.198 1.00 0.00 H new ATOM 0 HB2 MET A 3 -10.090 -1.200 -7.393 1.00 0.00 H new ATOM 0 HB3 MET A 3 -10.646 -1.706 -5.810 1.00 0.00 H new ATOM 0 HG2 MET A 3 -7.721 -1.467 -6.684 1.00 0.00 H new ATOM 0 HG3 MET A 3 -8.561 -0.367 -5.609 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.414 -2.387 -2.508 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.836 -1.065 -3.623 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.430 -2.714 -3.933 1.00 0.00 H new ATOM 41 N THR A 4 -11.588 -4.363 -5.793 1.00 0.00 N ATOM 42 CA THR A 4 -12.174 -5.234 -4.739 1.00 0.00 C ATOM 43 C THR A 4 -11.613 -6.650 -4.890 1.00 0.00 C ATOM 44 O THR A 4 -10.774 -7.080 -4.123 1.00 0.00 O ATOM 45 CB THR A 4 -13.698 -5.259 -4.896 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.245 -4.056 -4.372 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.279 -6.454 -4.140 1.00 0.00 C ATOM 0 H THR A 4 -12.264 -3.929 -6.421 1.00 0.00 H new ATOM 0 HA THR A 4 -11.920 -4.848 -3.752 1.00 0.00 H new ATOM 0 HB THR A 4 -13.950 -5.348 -5.953 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.220 -4.069 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.363 -6.466 -4.256 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.861 -7.377 -4.542 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.028 -6.372 -3.082 1.00 0.00 H new ATOM 55 N ASP A 5 -12.066 -7.378 -5.874 1.00 0.00 N ATOM 56 CA ASP A 5 -11.551 -8.762 -6.072 1.00 0.00 C ATOM 57 C ASP A 5 -10.025 -8.741 -6.001 1.00 0.00 C ATOM 58 O ASP A 5 -9.390 -9.731 -5.700 1.00 0.00 O ATOM 59 CB ASP A 5 -11.990 -9.280 -7.444 1.00 0.00 C ATOM 60 CG ASP A 5 -12.288 -10.777 -7.355 1.00 0.00 C ATOM 61 OD1 ASP A 5 -13.327 -11.123 -6.816 1.00 0.00 O ATOM 62 OD2 ASP A 5 -11.475 -11.553 -7.827 1.00 0.00 O ATOM 0 H ASP A 5 -12.769 -7.075 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.948 -9.416 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.876 -8.742 -7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.207 -9.098 -8.180 1.00 0.00 H new ATOM 67 N GLN A 6 -9.431 -7.613 -6.279 1.00 0.00 N ATOM 68 CA GLN A 6 -7.948 -7.515 -6.231 1.00 0.00 C ATOM 69 C GLN A 6 -7.438 -7.992 -4.869 1.00 0.00 C ATOM 70 O GLN A 6 -6.546 -8.813 -4.783 1.00 0.00 O ATOM 71 CB GLN A 6 -7.538 -6.057 -6.445 1.00 0.00 C ATOM 72 CG GLN A 6 -6.250 -6.004 -7.269 1.00 0.00 C ATOM 73 CD GLN A 6 -6.547 -6.427 -8.709 1.00 0.00 C ATOM 74 OE1 GLN A 6 -7.052 -5.648 -9.492 1.00 0.00 O ATOM 75 NE2 GLN A 6 -6.251 -7.638 -9.093 1.00 0.00 N ATOM 0 H GLN A 6 -9.913 -6.752 -6.538 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.517 -8.141 -7.012 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.333 -5.516 -6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -7.388 -5.566 -5.484 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -5.837 -4.995 -7.253 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.499 -6.663 -6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.827 -8.292 -8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.444 -7.931 -10.051 1.00 0.00 H new ATOM 84 N GLN A 7 -7.989 -7.478 -3.803 1.00 0.00 N ATOM 85 CA GLN A 7 -7.529 -7.896 -2.447 1.00 0.00 C ATOM 86 C GLN A 7 -7.961 -9.338 -2.167 1.00 0.00 C ATOM 87 O GLN A 7 -7.458 -9.982 -1.267 1.00 0.00 O ATOM 88 CB GLN A 7 -8.142 -6.969 -1.395 1.00 0.00 C ATOM 89 CG GLN A 7 -7.737 -5.523 -1.691 1.00 0.00 C ATOM 90 CD GLN A 7 -8.618 -4.570 -0.879 1.00 0.00 C ATOM 91 OE1 GLN A 7 -8.119 -3.739 -0.146 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.916 -4.654 -0.981 1.00 0.00 N ATOM 0 H GLN A 7 -8.738 -6.786 -3.812 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.442 -7.835 -2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.228 -7.062 -1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.803 -7.256 -0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.688 -5.369 -1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.843 -5.315 -2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.335 -5.351 -1.596 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.512 -4.022 -0.446 1.00 0.00 H new ATOM 101 N ALA A 8 -8.892 -9.854 -2.924 1.00 0.00 N ATOM 102 CA ALA A 8 -9.350 -11.253 -2.687 1.00 0.00 C ATOM 103 C ALA A 8 -8.234 -12.233 -3.059 1.00 0.00 C ATOM 104 O ALA A 8 -7.779 -13.008 -2.242 1.00 0.00 O ATOM 105 CB ALA A 8 -10.586 -11.541 -3.545 1.00 0.00 C ATOM 0 H ALA A 8 -9.354 -9.369 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.601 -11.374 -1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.920 -12.564 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.384 -10.848 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.335 -11.416 -4.598 1.00 0.00 H new ATOM 111 N GLU A 9 -7.791 -12.208 -4.287 1.00 0.00 N ATOM 112 CA GLU A 9 -6.707 -13.141 -4.707 1.00 0.00 C ATOM 113 C GLU A 9 -5.450 -12.874 -3.876 1.00 0.00 C ATOM 114 O GLU A 9 -4.700 -13.776 -3.560 1.00 0.00 O ATOM 115 CB GLU A 9 -6.395 -12.926 -6.190 1.00 0.00 C ATOM 116 CG GLU A 9 -6.067 -11.452 -6.436 1.00 0.00 C ATOM 117 CD GLU A 9 -5.892 -11.210 -7.936 1.00 0.00 C ATOM 118 OE1 GLU A 9 -6.896 -11.096 -8.620 1.00 0.00 O ATOM 119 OE2 GLU A 9 -4.755 -11.146 -8.377 1.00 0.00 O ATOM 0 H GLU A 9 -8.133 -11.582 -5.017 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.033 -14.169 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.554 -13.551 -6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.248 -13.226 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.866 -10.821 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.156 -11.178 -5.904 1.00 0.00 H new ATOM 126 N ALA A 10 -5.211 -11.641 -3.522 1.00 0.00 N ATOM 127 CA ALA A 10 -4.001 -11.318 -2.716 1.00 0.00 C ATOM 128 C ALA A 10 -4.207 -11.780 -1.270 1.00 0.00 C ATOM 129 O ALA A 10 -3.261 -12.016 -0.545 1.00 0.00 O ATOM 130 CB ALA A 10 -3.763 -9.808 -2.737 1.00 0.00 C ATOM 0 H ALA A 10 -5.802 -10.843 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.137 -11.830 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.878 -9.571 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.614 -9.477 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.628 -9.297 -2.314 1.00 0.00 H new ATOM 136 N ARG A 11 -5.433 -11.908 -0.845 1.00 0.00 N ATOM 137 CA ARG A 11 -5.694 -12.351 0.554 1.00 0.00 C ATOM 138 C ARG A 11 -5.508 -13.866 0.658 1.00 0.00 C ATOM 139 O ARG A 11 -5.005 -14.373 1.640 1.00 0.00 O ATOM 140 CB ARG A 11 -7.126 -11.984 0.948 1.00 0.00 C ATOM 141 CG ARG A 11 -7.094 -10.909 2.036 1.00 0.00 C ATOM 142 CD ARG A 11 -8.237 -9.919 1.809 1.00 0.00 C ATOM 143 NE ARG A 11 -8.989 -9.729 3.082 1.00 0.00 N ATOM 144 CZ ARG A 11 -9.587 -8.595 3.322 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.904 -7.580 3.774 1.00 0.00 N ATOM 146 NH2 ARG A 11 -10.869 -8.478 3.110 1.00 0.00 N ATOM 0 H ARG A 11 -6.266 -11.725 -1.405 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.994 -11.855 1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.672 -11.620 0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.653 -12.867 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.187 -11.369 3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.137 -10.387 2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.842 -8.964 1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.905 -10.290 1.031 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.036 -10.485 3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.902 -7.673 3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.372 -6.693 3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.402 -9.273 2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.338 -7.592 3.297 1.00 0.00 H new ATOM 160 N ALA A 12 -5.908 -14.595 -0.348 1.00 0.00 N ATOM 161 CA ALA A 12 -5.748 -16.075 -0.299 1.00 0.00 C ATOM 162 C ALA A 12 -4.326 -16.415 0.149 1.00 0.00 C ATOM 163 O ALA A 12 -4.116 -17.269 0.989 1.00 0.00 O ATOM 164 CB ALA A 12 -5.998 -16.662 -1.689 1.00 0.00 C ATOM 0 H ALA A 12 -6.337 -14.231 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.464 -16.496 0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.881 -17.745 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.010 -16.417 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.281 -16.243 -2.395 1.00 0.00 H new ATOM 170 N PHE A 13 -3.348 -15.755 -0.407 1.00 0.00 N ATOM 171 CA PHE A 13 -1.939 -16.038 -0.017 1.00 0.00 C ATOM 172 C PHE A 13 -1.642 -15.396 1.341 1.00 0.00 C ATOM 173 O PHE A 13 -0.806 -15.865 2.087 1.00 0.00 O ATOM 174 CB PHE A 13 -0.994 -15.460 -1.073 1.00 0.00 C ATOM 175 CG PHE A 13 0.422 -15.900 -0.780 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.685 -17.232 -0.438 1.00 0.00 C ATOM 177 CD2 PHE A 13 1.472 -14.976 -0.851 1.00 0.00 C ATOM 178 CE1 PHE A 13 1.997 -17.640 -0.166 1.00 0.00 C ATOM 179 CE2 PHE A 13 2.783 -15.384 -0.580 1.00 0.00 C ATOM 180 CZ PHE A 13 3.045 -16.715 -0.237 1.00 0.00 C ATOM 0 H PHE A 13 -3.464 -15.031 -1.116 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.792 -17.116 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.292 -15.797 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.055 -14.372 -1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.124 -17.945 -0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.270 -13.948 -1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.200 -18.667 0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.593 -14.671 -0.636 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.057 -17.029 -0.027 1.00 0.00 H new ATOM 190 N LEU A 14 -2.321 -14.329 1.670 1.00 0.00 N ATOM 191 CA LEU A 14 -2.072 -13.669 2.980 1.00 0.00 C ATOM 192 C LEU A 14 -3.000 -14.272 4.036 1.00 0.00 C ATOM 193 O LEU A 14 -4.020 -13.706 4.373 1.00 0.00 O ATOM 194 CB LEU A 14 -2.348 -12.167 2.856 1.00 0.00 C ATOM 195 CG LEU A 14 -1.350 -11.543 1.878 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.836 -10.149 1.471 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.018 -11.427 2.553 1.00 0.00 C ATOM 0 H LEU A 14 -3.034 -13.889 1.089 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.034 -13.824 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.367 -12.001 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.264 -11.689 3.832 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.268 -12.172 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.125 -9.705 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.812 -10.229 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.918 -9.519 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.730 -10.983 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.066 -10.797 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.365 -12.418 2.844 1.00 0.00 H new ATOM 209 N SER A 15 -2.657 -15.415 4.560 1.00 0.00 N ATOM 210 CA SER A 15 -3.524 -16.046 5.594 1.00 0.00 C ATOM 211 C SER A 15 -3.914 -14.995 6.635 1.00 0.00 C ATOM 212 O SER A 15 -3.266 -13.976 6.773 1.00 0.00 O ATOM 213 CB SER A 15 -2.763 -17.186 6.273 1.00 0.00 C ATOM 214 OG SER A 15 -3.578 -17.757 7.289 1.00 0.00 O ATOM 0 H SER A 15 -1.816 -15.939 4.318 1.00 0.00 H new ATOM 0 HA SER A 15 -4.423 -16.444 5.125 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.492 -17.945 5.539 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.834 -16.812 6.703 1.00 0.00 H new ATOM 0 HG SER A 15 -3.093 -18.489 7.724 1.00 0.00 H new ATOM 220 N GLU A 16 -4.969 -15.230 7.365 1.00 0.00 N ATOM 221 CA GLU A 16 -5.397 -14.238 8.392 1.00 0.00 C ATOM 222 C GLU A 16 -4.208 -13.877 9.284 1.00 0.00 C ATOM 223 O GLU A 16 -4.158 -12.811 9.866 1.00 0.00 O ATOM 224 CB GLU A 16 -6.514 -14.838 9.247 1.00 0.00 C ATOM 225 CG GLU A 16 -7.703 -13.875 9.276 1.00 0.00 C ATOM 226 CD GLU A 16 -8.799 -14.443 10.179 1.00 0.00 C ATOM 227 OE1 GLU A 16 -9.394 -15.439 9.802 1.00 0.00 O ATOM 228 OE2 GLU A 16 -9.027 -13.871 11.233 1.00 0.00 O ATOM 0 H GLU A 16 -5.552 -16.064 7.296 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.762 -13.339 7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.822 -15.801 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.154 -15.020 10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.385 -12.899 9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.089 -13.727 8.267 1.00 0.00 H new ATOM 235 N GLU A 17 -3.251 -14.756 9.398 1.00 0.00 N ATOM 236 CA GLU A 17 -2.067 -14.461 10.254 1.00 0.00 C ATOM 237 C GLU A 17 -1.071 -13.599 9.475 1.00 0.00 C ATOM 238 O GLU A 17 -0.410 -12.744 10.030 1.00 0.00 O ATOM 239 CB GLU A 17 -1.393 -15.775 10.660 1.00 0.00 C ATOM 240 CG GLU A 17 -2.462 -16.819 10.986 1.00 0.00 C ATOM 241 CD GLU A 17 -1.878 -17.870 11.932 1.00 0.00 C ATOM 242 OE1 GLU A 17 -0.993 -18.593 11.509 1.00 0.00 O ATOM 243 OE2 GLU A 17 -2.328 -17.934 13.065 1.00 0.00 O ATOM 0 H GLU A 17 -3.237 -15.665 8.936 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.390 -13.924 11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.755 -16.133 9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.751 -15.614 11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.325 -16.339 11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.813 -17.294 10.070 1.00 0.00 H new ATOM 250 N MET A 18 -0.957 -13.819 8.195 1.00 0.00 N ATOM 251 CA MET A 18 0.000 -13.016 7.379 1.00 0.00 C ATOM 252 C MET A 18 -0.404 -11.539 7.411 1.00 0.00 C ATOM 253 O MET A 18 0.417 -10.659 7.242 1.00 0.00 O ATOM 254 CB MET A 18 -0.020 -13.518 5.934 1.00 0.00 C ATOM 255 CG MET A 18 1.172 -14.446 5.699 1.00 0.00 C ATOM 256 SD MET A 18 2.539 -13.503 4.979 1.00 0.00 S ATOM 257 CE MET A 18 2.713 -14.478 3.464 1.00 0.00 C ATOM 0 H MET A 18 -1.485 -14.521 7.677 1.00 0.00 H new ATOM 0 HA MET A 18 1.004 -13.123 7.791 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.952 -14.048 5.735 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.021 -12.675 5.244 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.485 -14.899 6.640 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.887 -15.260 5.032 1.00 0.00 H new ATOM 0 HE1 MET A 18 3.518 -14.065 2.856 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.946 -15.511 3.721 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.780 -14.446 2.902 1.00 0.00 H new ATOM 267 N ILE A 19 -1.661 -11.258 7.622 1.00 0.00 N ATOM 268 CA ILE A 19 -2.113 -9.837 7.659 1.00 0.00 C ATOM 269 C ILE A 19 -1.975 -9.290 9.077 1.00 0.00 C ATOM 270 O ILE A 19 -1.537 -8.176 9.286 1.00 0.00 O ATOM 271 CB ILE A 19 -3.578 -9.759 7.230 1.00 0.00 C ATOM 272 CG1 ILE A 19 -3.774 -10.563 5.944 1.00 0.00 C ATOM 273 CG2 ILE A 19 -3.968 -8.301 6.985 1.00 0.00 C ATOM 274 CD1 ILE A 19 -5.098 -11.322 6.017 1.00 0.00 C ATOM 0 H ILE A 19 -2.395 -11.951 7.770 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.498 -9.246 6.980 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.208 -10.171 8.019 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.771 -9.897 5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.948 -11.262 5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.013 -8.250 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.830 -7.728 7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.339 -7.883 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.239 -11.896 5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.082 -11.999 6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.918 -10.613 6.131 1.00 0.00 H new ATOM 286 N ALA A 20 -2.351 -10.063 10.055 1.00 0.00 N ATOM 287 CA ALA A 20 -2.250 -9.589 11.461 1.00 0.00 C ATOM 288 C ALA A 20 -0.783 -9.334 11.815 1.00 0.00 C ATOM 289 O ALA A 20 -0.475 -8.628 12.756 1.00 0.00 O ATOM 290 CB ALA A 20 -2.825 -10.655 12.390 1.00 0.00 C ATOM 0 H ALA A 20 -2.725 -11.005 9.941 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.811 -8.661 11.576 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.754 -10.314 13.423 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.870 -10.832 12.137 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.262 -11.581 12.274 1.00 0.00 H new ATOM 296 N GLU A 21 0.126 -9.901 11.071 1.00 0.00 N ATOM 297 CA GLU A 21 1.572 -9.689 11.367 1.00 0.00 C ATOM 298 C GLU A 21 2.037 -8.374 10.738 1.00 0.00 C ATOM 299 O GLU A 21 2.804 -7.634 11.320 1.00 0.00 O ATOM 300 CB GLU A 21 2.387 -10.846 10.785 1.00 0.00 C ATOM 301 CG GLU A 21 2.403 -12.012 11.776 1.00 0.00 C ATOM 302 CD GLU A 21 3.691 -11.965 12.599 1.00 0.00 C ATOM 303 OE1 GLU A 21 4.709 -11.574 12.050 1.00 0.00 O ATOM 304 OE2 GLU A 21 3.640 -12.324 13.765 1.00 0.00 O ATOM 0 H GLU A 21 -0.069 -10.502 10.271 1.00 0.00 H new ATOM 0 HA GLU A 21 1.717 -9.647 12.446 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.956 -11.167 9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.406 -10.518 10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.536 -11.955 12.434 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.335 -12.959 11.241 1.00 0.00 H new ATOM 311 N PHE A 22 1.580 -8.080 9.552 1.00 0.00 N ATOM 312 CA PHE A 22 1.997 -6.814 8.882 1.00 0.00 C ATOM 313 C PHE A 22 1.327 -5.625 9.571 1.00 0.00 C ATOM 314 O PHE A 22 1.822 -4.515 9.539 1.00 0.00 O ATOM 315 CB PHE A 22 1.574 -6.855 7.411 1.00 0.00 C ATOM 316 CG PHE A 22 2.791 -6.694 6.532 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.475 -5.473 6.498 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.235 -7.766 5.749 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.603 -5.324 5.683 1.00 0.00 C ATOM 320 CE2 PHE A 22 4.362 -7.618 4.933 1.00 0.00 C ATOM 321 CZ PHE A 22 5.047 -6.397 4.900 1.00 0.00 C ATOM 0 H PHE A 22 0.935 -8.662 9.017 1.00 0.00 H new ATOM 0 HA PHE A 22 3.080 -6.708 8.948 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.076 -7.799 7.191 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.856 -6.061 7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.132 -4.645 7.101 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.707 -8.708 5.775 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.131 -4.382 5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.704 -8.445 4.329 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.917 -6.283 4.271 1.00 0.00 H new ATOM 331 N LYS A 23 0.202 -5.846 10.195 1.00 0.00 N ATOM 332 CA LYS A 23 -0.503 -4.728 10.885 1.00 0.00 C ATOM 333 C LYS A 23 0.492 -3.940 11.739 1.00 0.00 C ATOM 334 O LYS A 23 0.467 -2.726 11.777 1.00 0.00 O ATOM 335 CB LYS A 23 -1.600 -5.301 11.784 1.00 0.00 C ATOM 336 CG LYS A 23 -2.959 -4.758 11.341 1.00 0.00 C ATOM 337 CD LYS A 23 -4.057 -5.745 11.744 1.00 0.00 C ATOM 338 CE LYS A 23 -5.337 -4.975 12.075 1.00 0.00 C ATOM 339 NZ LYS A 23 -6.253 -5.849 12.861 1.00 0.00 N ATOM 0 H LYS A 23 -0.260 -6.753 10.257 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.945 -4.065 10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.597 -6.390 11.731 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.410 -5.032 12.823 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.142 -3.786 11.800 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.968 -4.607 10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.243 -6.450 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.737 -6.329 12.607 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.097 -4.077 12.644 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.826 -4.650 11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.123 -5.326 13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.491 -6.693 12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.785 -6.138 13.743 1.00 0.00 H new ATOM 353 N ALA A 24 1.363 -4.621 12.432 1.00 0.00 N ATOM 354 CA ALA A 24 2.354 -3.910 13.289 1.00 0.00 C ATOM 355 C ALA A 24 3.294 -3.079 12.415 1.00 0.00 C ATOM 356 O ALA A 24 3.536 -1.917 12.679 1.00 0.00 O ATOM 357 CB ALA A 24 3.169 -4.936 14.079 1.00 0.00 C ATOM 0 H ALA A 24 1.431 -5.639 12.442 1.00 0.00 H new ATOM 0 HA ALA A 24 1.827 -3.250 13.978 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.895 -4.419 14.707 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.501 -5.526 14.707 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.693 -5.595 13.387 1.00 0.00 H new ATOM 363 N ALA A 25 3.832 -3.663 11.380 1.00 0.00 N ATOM 364 CA ALA A 25 4.763 -2.906 10.496 1.00 0.00 C ATOM 365 C ALA A 25 3.977 -1.880 9.676 1.00 0.00 C ATOM 366 O ALA A 25 4.545 -1.099 8.938 1.00 0.00 O ATOM 367 CB ALA A 25 5.472 -3.878 9.552 1.00 0.00 C ATOM 0 H ALA A 25 3.667 -4.632 11.108 1.00 0.00 H new ATOM 0 HA ALA A 25 5.501 -2.388 11.109 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.153 -3.325 8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.036 -4.606 10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.733 -4.397 8.942 1.00 0.00 H new ATOM 373 N PHE A 26 2.677 -1.872 9.796 1.00 0.00 N ATOM 374 CA PHE A 26 1.865 -0.893 9.019 1.00 0.00 C ATOM 375 C PHE A 26 1.986 0.492 9.659 1.00 0.00 C ATOM 376 O PHE A 26 1.643 1.494 9.065 1.00 0.00 O ATOM 377 CB PHE A 26 0.397 -1.330 9.022 1.00 0.00 C ATOM 378 CG PHE A 26 -0.459 -0.231 8.436 1.00 0.00 C ATOM 379 CD1 PHE A 26 -0.089 0.379 7.232 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.624 0.176 9.097 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.882 1.397 6.690 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.417 1.193 8.556 1.00 0.00 C ATOM 383 CZ PHE A 26 -2.047 1.804 7.351 1.00 0.00 C ATOM 0 H PHE A 26 2.143 -2.500 10.397 1.00 0.00 H new ATOM 0 HA PHE A 26 2.230 -0.852 7.993 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.278 -2.246 8.443 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.075 -1.552 10.039 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.809 0.064 6.721 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.911 -0.296 10.025 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.595 1.869 5.762 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.315 1.507 9.067 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.660 2.588 6.932 1.00 0.00 H new ATOM 393 N ASP A 27 2.470 0.554 10.870 1.00 0.00 N ATOM 394 CA ASP A 27 2.610 1.874 11.550 1.00 0.00 C ATOM 395 C ASP A 27 3.840 2.605 11.008 1.00 0.00 C ATOM 396 O ASP A 27 3.993 3.797 11.188 1.00 0.00 O ATOM 397 CB ASP A 27 2.774 1.654 13.056 1.00 0.00 C ATOM 398 CG ASP A 27 3.193 2.965 13.722 1.00 0.00 C ATOM 399 OD1 ASP A 27 2.540 3.966 13.479 1.00 0.00 O ATOM 400 OD2 ASP A 27 4.161 2.947 14.465 1.00 0.00 O ATOM 0 H ASP A 27 2.774 -0.251 11.417 1.00 0.00 H new ATOM 0 HA ASP A 27 1.720 2.474 11.361 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.838 1.299 13.486 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.523 0.884 13.242 1.00 0.00 H new ATOM 405 N MET A 28 4.720 1.905 10.348 1.00 0.00 N ATOM 406 CA MET A 28 5.940 2.565 9.802 1.00 0.00 C ATOM 407 C MET A 28 5.537 3.609 8.758 1.00 0.00 C ATOM 408 O MET A 28 6.025 4.722 8.760 1.00 0.00 O ATOM 409 CB MET A 28 6.838 1.513 9.149 1.00 0.00 C ATOM 410 CG MET A 28 8.264 1.654 9.686 1.00 0.00 C ATOM 411 SD MET A 28 9.374 0.580 8.741 1.00 0.00 S ATOM 412 CE MET A 28 10.706 1.782 8.503 1.00 0.00 C ATOM 0 H MET A 28 4.648 0.905 10.163 1.00 0.00 H new ATOM 0 HA MET A 28 6.480 3.054 10.613 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.457 0.514 9.358 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.832 1.636 8.066 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.592 2.691 9.610 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.294 1.387 10.742 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.513 1.323 7.932 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.323 2.646 7.960 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.085 2.102 9.474 1.00 0.00 H new ATOM 422 N PHE A 29 4.655 3.260 7.862 1.00 0.00 N ATOM 423 CA PHE A 29 4.229 4.234 6.817 1.00 0.00 C ATOM 424 C PHE A 29 3.635 5.478 7.483 1.00 0.00 C ATOM 425 O PHE A 29 4.124 6.577 7.313 1.00 0.00 O ATOM 426 CB PHE A 29 3.174 3.588 5.915 1.00 0.00 C ATOM 427 CG PHE A 29 3.843 3.007 4.691 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.126 3.827 3.590 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.180 1.649 4.655 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.745 3.288 2.456 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.799 1.110 3.521 1.00 0.00 C ATOM 432 CZ PHE A 29 5.082 1.929 2.422 1.00 0.00 C ATOM 0 H PHE A 29 4.211 2.343 7.808 1.00 0.00 H new ATOM 0 HA PHE A 29 5.094 4.521 6.219 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.645 2.805 6.459 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.431 4.328 5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.866 4.875 3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.962 1.016 5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.963 3.920 1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.058 0.062 3.494 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.560 1.513 1.548 1.00 0.00 H new ATOM 442 N ASP A 30 2.583 5.315 8.237 1.00 0.00 N ATOM 443 CA ASP A 30 1.956 6.488 8.906 1.00 0.00 C ATOM 444 C ASP A 30 2.882 7.017 10.004 1.00 0.00 C ATOM 445 O ASP A 30 4.021 6.611 10.119 1.00 0.00 O ATOM 446 CB ASP A 30 0.621 6.065 9.521 1.00 0.00 C ATOM 447 CG ASP A 30 0.858 4.938 10.528 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.902 4.941 11.158 1.00 0.00 O ATOM 449 OD2 ASP A 30 -0.010 4.089 10.652 1.00 0.00 O ATOM 0 H ASP A 30 2.131 4.419 8.418 1.00 0.00 H new ATOM 0 HA ASP A 30 1.788 7.276 8.172 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.150 6.915 10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.062 5.732 8.740 1.00 0.00 H new ATOM 454 N ALA A 31 2.401 7.924 10.812 1.00 0.00 N ATOM 455 CA ALA A 31 3.251 8.483 11.901 1.00 0.00 C ATOM 456 C ALA A 31 3.303 7.495 13.069 1.00 0.00 C ATOM 457 O ALA A 31 4.170 6.647 13.138 1.00 0.00 O ATOM 458 CB ALA A 31 2.657 9.809 12.381 1.00 0.00 C ATOM 0 H ALA A 31 1.455 8.302 10.764 1.00 0.00 H new ATOM 0 HA ALA A 31 4.260 8.651 11.524 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.278 10.219 13.178 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.621 10.514 11.550 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.648 9.641 12.758 1.00 0.00 H new ATOM 464 N ASP A 32 2.382 7.599 13.987 1.00 0.00 N ATOM 465 CA ASP A 32 2.380 6.665 15.149 1.00 0.00 C ATOM 466 C ASP A 32 1.215 5.680 15.017 1.00 0.00 C ATOM 467 O ASP A 32 1.032 4.810 15.845 1.00 0.00 O ATOM 468 CB ASP A 32 2.231 7.463 16.446 1.00 0.00 C ATOM 469 CG ASP A 32 3.170 6.889 17.508 1.00 0.00 C ATOM 470 OD1 ASP A 32 3.662 5.792 17.304 1.00 0.00 O ATOM 471 OD2 ASP A 32 3.380 7.556 18.507 1.00 0.00 O ATOM 0 H ASP A 32 1.631 8.289 13.983 1.00 0.00 H new ATOM 0 HA ASP A 32 3.319 6.112 15.169 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.464 8.513 16.268 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.199 7.420 16.796 1.00 0.00 H new ATOM 476 N GLY A 33 0.428 5.806 13.984 1.00 0.00 N ATOM 477 CA GLY A 33 -0.718 4.869 13.807 1.00 0.00 C ATOM 478 C GLY A 33 -1.949 5.638 13.323 1.00 0.00 C ATOM 479 O GLY A 33 -3.056 5.392 13.760 1.00 0.00 O ATOM 0 H GLY A 33 0.528 6.514 13.257 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.457 4.093 13.087 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.939 4.368 14.750 1.00 0.00 H new ATOM 483 N GLY A 34 -1.771 6.563 12.420 1.00 0.00 N ATOM 484 CA GLY A 34 -2.937 7.338 11.909 1.00 0.00 C ATOM 485 C GLY A 34 -3.870 6.399 11.142 1.00 0.00 C ATOM 486 O GLY A 34 -5.012 6.718 10.876 1.00 0.00 O ATOM 0 H GLY A 34 -0.870 6.815 12.014 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.471 7.803 12.738 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.596 8.143 11.258 1.00 0.00 H new ATOM 490 N GLY A 35 -3.388 5.239 10.784 1.00 0.00 N ATOM 491 CA GLY A 35 -4.241 4.275 10.035 1.00 0.00 C ATOM 492 C GLY A 35 -4.472 4.787 8.613 1.00 0.00 C ATOM 493 O GLY A 35 -5.586 4.821 8.130 1.00 0.00 O ATOM 0 H GLY A 35 -2.439 4.918 10.979 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.761 3.297 10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.196 4.147 10.545 1.00 0.00 H new ATOM 497 N ASP A 36 -3.429 5.183 7.935 1.00 0.00 N ATOM 498 CA ASP A 36 -3.599 5.688 6.544 1.00 0.00 C ATOM 499 C ASP A 36 -2.227 5.947 5.914 1.00 0.00 C ATOM 500 O ASP A 36 -1.242 6.144 6.598 1.00 0.00 O ATOM 501 CB ASP A 36 -4.407 6.988 6.564 1.00 0.00 C ATOM 502 CG ASP A 36 -3.913 7.880 7.704 1.00 0.00 C ATOM 503 OD1 ASP A 36 -2.713 8.072 7.801 1.00 0.00 O ATOM 504 OD2 ASP A 36 -4.744 8.356 8.459 1.00 0.00 O ATOM 0 H ASP A 36 -2.470 5.179 8.283 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.130 4.940 5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.304 7.507 5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.467 6.768 6.694 1.00 0.00 H new ATOM 509 N ILE A 37 -2.162 5.942 4.613 1.00 0.00 N ATOM 510 CA ILE A 37 -0.867 6.181 3.914 1.00 0.00 C ATOM 511 C ILE A 37 -0.949 7.482 3.111 1.00 0.00 C ATOM 512 O ILE A 37 0.055 7.999 2.674 1.00 0.00 O ATOM 513 CB ILE A 37 -0.561 5.015 2.973 1.00 0.00 C ATOM 514 CG1 ILE A 37 -0.950 3.699 3.649 1.00 0.00 C ATOM 515 CG2 ILE A 37 0.937 5.001 2.661 1.00 0.00 C ATOM 516 CD1 ILE A 37 -0.970 2.575 2.610 1.00 0.00 C ATOM 0 H ILE A 37 -2.958 5.781 3.997 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.071 6.262 4.654 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.129 5.131 2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.241 3.462 4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.930 3.794 4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.161 4.172 1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.218 5.940 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.500 4.882 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.247 1.638 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.696 2.811 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.019 2.474 2.164 1.00 0.00 H new ATOM 528 N SER A 38 -2.154 7.972 2.902 1.00 0.00 N ATOM 529 CA SER A 38 -2.402 9.232 2.113 1.00 0.00 C ATOM 530 C SER A 38 -1.118 10.028 1.854 1.00 0.00 C ATOM 531 O SER A 38 -0.283 10.187 2.720 1.00 0.00 O ATOM 532 CB SER A 38 -3.375 10.118 2.892 1.00 0.00 C ATOM 533 OG SER A 38 -3.732 9.470 4.105 1.00 0.00 O ATOM 0 H SER A 38 -3.005 7.536 3.258 1.00 0.00 H new ATOM 0 HA SER A 38 -2.811 8.938 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.916 11.084 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.266 10.313 2.295 1.00 0.00 H new ATOM 0 HG SER A 38 -4.354 10.036 4.607 1.00 0.00 H new ATOM 539 N THR A 39 -0.983 10.548 0.660 1.00 0.00 N ATOM 540 CA THR A 39 0.224 11.354 0.299 1.00 0.00 C ATOM 541 C THR A 39 0.689 12.188 1.497 1.00 0.00 C ATOM 542 O THR A 39 1.855 12.491 1.636 1.00 0.00 O ATOM 543 CB THR A 39 -0.123 12.286 -0.864 1.00 0.00 C ATOM 544 OG1 THR A 39 -1.025 13.287 -0.412 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.774 11.482 -1.992 1.00 0.00 C ATOM 0 H THR A 39 -1.667 10.447 -0.090 1.00 0.00 H new ATOM 0 HA THR A 39 1.028 10.677 0.009 1.00 0.00 H new ATOM 0 HB THR A 39 0.787 12.756 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.247 13.886 -1.155 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.020 12.148 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.082 10.715 -2.338 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.685 11.010 -1.623 1.00 0.00 H new ATOM 553 N LYS A 40 -0.207 12.564 2.365 1.00 0.00 N ATOM 554 CA LYS A 40 0.203 13.372 3.545 1.00 0.00 C ATOM 555 C LYS A 40 1.413 12.716 4.222 1.00 0.00 C ATOM 556 O LYS A 40 2.465 13.310 4.343 1.00 0.00 O ATOM 557 CB LYS A 40 -0.960 13.448 4.537 1.00 0.00 C ATOM 558 CG LYS A 40 -0.772 14.654 5.458 1.00 0.00 C ATOM 559 CD LYS A 40 -1.922 14.711 6.466 1.00 0.00 C ATOM 560 CE LYS A 40 -1.483 14.058 7.777 1.00 0.00 C ATOM 561 NZ LYS A 40 -0.850 15.083 8.654 1.00 0.00 N ATOM 0 H LYS A 40 -1.202 12.348 2.309 1.00 0.00 H new ATOM 0 HA LYS A 40 0.472 14.377 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.905 13.532 3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.009 12.532 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.181 14.580 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.743 15.572 4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.214 15.746 6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.796 14.197 6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.342 13.614 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.779 13.251 7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.551 14.640 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.021 15.487 8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.536 15.839 8.856 1.00 0.00 H new ATOM 575 N GLU A 41 1.267 11.498 4.676 1.00 0.00 N ATOM 576 CA GLU A 41 2.408 10.812 5.356 1.00 0.00 C ATOM 577 C GLU A 41 3.241 10.016 4.342 1.00 0.00 C ATOM 578 O GLU A 41 4.433 9.845 4.505 1.00 0.00 O ATOM 579 CB GLU A 41 1.859 9.859 6.419 1.00 0.00 C ATOM 580 CG GLU A 41 1.681 10.615 7.737 1.00 0.00 C ATOM 581 CD GLU A 41 0.257 10.411 8.258 1.00 0.00 C ATOM 582 OE1 GLU A 41 -0.168 9.270 8.330 1.00 0.00 O ATOM 583 OE2 GLU A 41 -0.384 11.400 8.578 1.00 0.00 O ATOM 0 H GLU A 41 0.410 10.949 4.606 1.00 0.00 H new ATOM 0 HA GLU A 41 3.046 11.564 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.905 9.444 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.541 9.020 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.402 10.259 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.876 11.677 7.588 1.00 0.00 H new ATOM 590 N LEU A 42 2.623 9.514 3.309 1.00 0.00 N ATOM 591 CA LEU A 42 3.370 8.711 2.295 1.00 0.00 C ATOM 592 C LEU A 42 4.520 9.538 1.706 1.00 0.00 C ATOM 593 O LEU A 42 5.646 9.089 1.630 1.00 0.00 O ATOM 594 CB LEU A 42 2.400 8.293 1.179 1.00 0.00 C ATOM 595 CG LEU A 42 3.163 7.874 -0.086 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.563 9.120 -0.880 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.421 7.083 0.291 1.00 0.00 C ATOM 0 H LEU A 42 1.627 9.625 3.121 1.00 0.00 H new ATOM 0 HA LEU A 42 3.790 7.825 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.778 7.466 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.730 9.120 0.946 1.00 0.00 H new ATOM 0 HG LEU A 42 2.516 7.243 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.104 8.821 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.668 9.674 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.202 9.754 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.953 6.792 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.070 7.704 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.136 6.190 0.847 1.00 0.00 H new ATOM 609 N GLY A 43 4.242 10.736 1.275 1.00 0.00 N ATOM 610 CA GLY A 43 5.311 11.587 0.674 1.00 0.00 C ATOM 611 C GLY A 43 6.541 11.623 1.584 1.00 0.00 C ATOM 612 O GLY A 43 7.632 11.939 1.152 1.00 0.00 O ATOM 0 H GLY A 43 3.318 11.166 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.587 11.197 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.935 12.599 0.520 1.00 0.00 H new ATOM 616 N THR A 44 6.380 11.312 2.840 1.00 0.00 N ATOM 617 CA THR A 44 7.550 11.343 3.766 1.00 0.00 C ATOM 618 C THR A 44 8.272 9.993 3.741 1.00 0.00 C ATOM 619 O THR A 44 9.457 9.919 3.485 1.00 0.00 O ATOM 620 CB THR A 44 7.067 11.635 5.188 1.00 0.00 C ATOM 621 OG1 THR A 44 6.741 10.413 5.835 1.00 0.00 O ATOM 622 CG2 THR A 44 5.829 12.533 5.139 1.00 0.00 C ATOM 0 H THR A 44 5.494 11.039 3.265 1.00 0.00 H new ATOM 0 HA THR A 44 8.239 12.124 3.445 1.00 0.00 H new ATOM 0 HB THR A 44 7.857 12.142 5.741 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.840 10.133 5.570 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.488 12.739 6.154 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.079 13.471 4.643 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.036 12.030 4.585 1.00 0.00 H new ATOM 630 N VAL A 45 7.573 8.924 4.013 1.00 0.00 N ATOM 631 CA VAL A 45 8.229 7.584 4.012 1.00 0.00 C ATOM 632 C VAL A 45 9.144 7.456 2.791 1.00 0.00 C ATOM 633 O VAL A 45 10.216 6.888 2.865 1.00 0.00 O ATOM 634 CB VAL A 45 7.158 6.490 3.967 1.00 0.00 C ATOM 635 CG1 VAL A 45 6.140 6.816 2.878 1.00 0.00 C ATOM 636 CG2 VAL A 45 7.816 5.142 3.661 1.00 0.00 C ATOM 0 H VAL A 45 6.578 8.920 4.236 1.00 0.00 H new ATOM 0 HA VAL A 45 8.823 7.474 4.919 1.00 0.00 H new ATOM 0 HB VAL A 45 6.654 6.438 4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.378 6.037 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.669 7.775 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.644 6.869 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.053 4.364 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.322 5.194 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.542 4.907 4.439 1.00 0.00 H new ATOM 646 N MET A 46 8.731 7.974 1.666 1.00 0.00 N ATOM 647 CA MET A 46 9.580 7.874 0.445 1.00 0.00 C ATOM 648 C MET A 46 10.532 9.070 0.378 1.00 0.00 C ATOM 649 O MET A 46 11.679 8.939 0.000 1.00 0.00 O ATOM 650 CB MET A 46 8.685 7.863 -0.797 1.00 0.00 C ATOM 651 CG MET A 46 8.970 6.605 -1.621 1.00 0.00 C ATOM 652 SD MET A 46 8.796 5.141 -0.572 1.00 0.00 S ATOM 653 CE MET A 46 7.000 5.219 -0.365 1.00 0.00 C ATOM 0 H MET A 46 7.844 8.461 1.540 1.00 0.00 H new ATOM 0 HA MET A 46 10.162 6.953 0.484 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.636 7.888 -0.502 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.868 8.754 -1.398 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.281 6.546 -2.463 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.977 6.650 -2.036 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.758 5.266 0.697 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.614 6.108 -0.864 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.544 4.331 -0.802 1.00 0.00 H new ATOM 663 N ARG A 47 10.068 10.235 0.739 1.00 0.00 N ATOM 664 CA ARG A 47 10.955 11.431 0.692 1.00 0.00 C ATOM 665 C ARG A 47 11.702 11.565 2.021 1.00 0.00 C ATOM 666 O ARG A 47 12.242 12.607 2.339 1.00 0.00 O ATOM 667 CB ARG A 47 10.110 12.684 0.447 1.00 0.00 C ATOM 668 CG ARG A 47 10.996 13.797 -0.121 1.00 0.00 C ATOM 669 CD ARG A 47 11.709 13.296 -1.379 1.00 0.00 C ATOM 670 NE ARG A 47 10.752 12.531 -2.226 1.00 0.00 N ATOM 671 CZ ARG A 47 11.050 11.322 -2.617 1.00 0.00 C ATOM 672 NH1 ARG A 47 12.143 11.109 -3.296 1.00 0.00 N ATOM 673 NH2 ARG A 47 10.254 10.329 -2.330 1.00 0.00 N ATOM 0 H ARG A 47 9.117 10.410 1.063 1.00 0.00 H new ATOM 0 HA ARG A 47 11.676 11.318 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.301 12.459 -0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.649 13.012 1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.391 14.672 -0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.728 14.109 0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.113 14.139 -1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.552 12.663 -1.103 1.00 0.00 H new ATOM 0 HE ARG A 47 9.864 12.952 -2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.764 11.887 -3.521 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.377 10.165 -3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.399 10.498 -1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.487 9.384 -2.636 1.00 0.00 H new ATOM 687 N MET A 48 11.740 10.518 2.800 1.00 0.00 N ATOM 688 CA MET A 48 12.456 10.588 4.105 1.00 0.00 C ATOM 689 C MET A 48 13.942 10.843 3.852 1.00 0.00 C ATOM 690 O MET A 48 14.688 11.172 4.754 1.00 0.00 O ATOM 691 CB MET A 48 12.283 9.265 4.855 1.00 0.00 C ATOM 692 CG MET A 48 11.422 9.495 6.098 1.00 0.00 C ATOM 693 SD MET A 48 11.808 8.237 7.341 1.00 0.00 S ATOM 694 CE MET A 48 10.101 7.834 7.790 1.00 0.00 C ATOM 0 H MET A 48 11.307 9.619 2.589 1.00 0.00 H new ATOM 0 HA MET A 48 12.044 11.399 4.705 1.00 0.00 H new ATOM 0 HB2 MET A 48 11.814 8.525 4.206 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.256 8.867 5.142 1.00 0.00 H new ATOM 0 HG2 MET A 48 11.607 10.490 6.503 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.365 9.449 5.835 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.084 7.368 8.775 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.505 8.746 7.810 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.685 7.145 7.055 1.00 0.00 H new ATOM 704 N LEU A 49 14.378 10.701 2.631 1.00 0.00 N ATOM 705 CA LEU A 49 15.815 10.943 2.322 1.00 0.00 C ATOM 706 C LEU A 49 16.141 12.413 2.587 1.00 0.00 C ATOM 707 O LEU A 49 17.246 12.758 2.955 1.00 0.00 O ATOM 708 CB LEU A 49 16.090 10.617 0.850 1.00 0.00 C ATOM 709 CG LEU A 49 15.337 9.345 0.453 1.00 0.00 C ATOM 710 CD1 LEU A 49 15.866 8.837 -0.890 1.00 0.00 C ATOM 711 CD2 LEU A 49 15.549 8.268 1.519 1.00 0.00 C ATOM 0 H LEU A 49 13.802 10.428 1.835 1.00 0.00 H new ATOM 0 HA LEU A 49 16.436 10.306 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.776 11.449 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 49 17.160 10.482 0.691 1.00 0.00 H new ATOM 0 HG LEU A 49 14.273 9.568 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.330 7.931 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.716 9.601 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.930 8.617 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.012 7.363 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.613 8.046 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.174 8.626 2.478 1.00 0.00 H new ATOM 723 N GLY A 50 15.184 13.281 2.406 1.00 0.00 N ATOM 724 CA GLY A 50 15.433 14.729 2.651 1.00 0.00 C ATOM 725 C GLY A 50 15.524 15.468 1.315 1.00 0.00 C ATOM 726 O GLY A 50 16.528 16.077 1.000 1.00 0.00 O ATOM 0 H GLY A 50 14.239 13.049 2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.630 15.149 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.357 14.859 3.214 1.00 0.00 H new ATOM 730 N GLN A 51 14.484 15.426 0.527 1.00 0.00 N ATOM 731 CA GLN A 51 14.512 16.130 -0.784 1.00 0.00 C ATOM 732 C GLN A 51 13.152 16.752 -1.007 1.00 0.00 C ATOM 733 O GLN A 51 12.145 16.134 -0.725 1.00 0.00 O ATOM 734 CB GLN A 51 14.756 15.136 -1.926 1.00 0.00 C ATOM 735 CG GLN A 51 15.248 13.792 -1.381 1.00 0.00 C ATOM 736 CD GLN A 51 16.213 13.159 -2.385 1.00 0.00 C ATOM 737 OE1 GLN A 51 15.797 12.641 -3.402 1.00 0.00 O ATOM 738 NE2 GLN A 51 17.495 13.177 -2.141 1.00 0.00 N ATOM 0 H GLN A 51 13.616 14.933 0.736 1.00 0.00 H new ATOM 0 HA GLN A 51 15.308 16.874 -0.772 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.835 14.990 -2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 51 15.492 15.544 -2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.746 13.936 -0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.402 13.127 -1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 51 17.846 13.612 -1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 51 18.146 12.756 -2.804 1.00 0.00 H new ATOM 747 N ASN A 52 13.064 17.943 -1.530 1.00 0.00 N ATOM 748 CA ASN A 52 11.701 18.458 -1.745 1.00 0.00 C ATOM 749 C ASN A 52 11.029 17.444 -2.670 1.00 0.00 C ATOM 750 O ASN A 52 11.574 17.107 -3.701 1.00 0.00 O ATOM 751 CB ASN A 52 11.760 19.824 -2.432 1.00 0.00 C ATOM 752 CG ASN A 52 12.534 20.805 -1.551 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.721 20.646 -1.342 1.00 0.00 O ATOM 754 ND2 ASN A 52 11.909 21.821 -1.022 1.00 0.00 N ATOM 0 H ASN A 52 13.837 18.549 -1.803 1.00 0.00 H new ATOM 0 HA ASN A 52 11.160 18.582 -0.807 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.243 19.733 -3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.751 20.197 -2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.416 22.482 -0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.913 21.955 -1.197 1.00 0.00 H new ATOM 761 N PRO A 53 9.881 16.980 -2.286 1.00 0.00 N ATOM 762 CA PRO A 53 9.142 15.998 -3.075 1.00 0.00 C ATOM 763 C PRO A 53 8.185 16.706 -4.041 1.00 0.00 C ATOM 764 O PRO A 53 7.777 17.827 -3.813 1.00 0.00 O ATOM 765 CB PRO A 53 8.387 15.217 -2.001 1.00 0.00 C ATOM 766 CG PRO A 53 8.262 16.163 -0.778 1.00 0.00 C ATOM 767 CD PRO A 53 9.234 17.329 -1.012 1.00 0.00 C ATOM 0 HA PRO A 53 9.767 15.362 -3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.403 14.915 -2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.923 14.306 -1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.240 16.528 -0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.507 15.636 0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.710 18.283 -1.075 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.959 17.416 -0.203 1.00 0.00 H new ATOM 775 N THR A 54 7.831 16.065 -5.120 1.00 0.00 N ATOM 776 CA THR A 54 6.912 16.708 -6.101 1.00 0.00 C ATOM 777 C THR A 54 5.466 16.316 -5.793 1.00 0.00 C ATOM 778 O THR A 54 5.201 15.269 -5.238 1.00 0.00 O ATOM 779 CB THR A 54 7.274 16.242 -7.512 1.00 0.00 C ATOM 780 OG1 THR A 54 8.688 16.183 -7.639 1.00 0.00 O ATOM 781 CG2 THR A 54 6.707 17.224 -8.538 1.00 0.00 C ATOM 0 H THR A 54 8.138 15.124 -5.365 1.00 0.00 H new ATOM 0 HA THR A 54 7.012 17.791 -6.032 1.00 0.00 H new ATOM 0 HB THR A 54 6.851 15.253 -7.689 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.923 15.883 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.966 16.890 -9.543 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.622 17.268 -8.439 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.128 18.214 -8.365 1.00 0.00 H new ATOM 789 N LYS A 55 4.528 17.149 -6.154 1.00 0.00 N ATOM 790 CA LYS A 55 3.100 16.824 -5.889 1.00 0.00 C ATOM 791 C LYS A 55 2.711 15.590 -6.700 1.00 0.00 C ATOM 792 O LYS A 55 1.829 14.839 -6.329 1.00 0.00 O ATOM 793 CB LYS A 55 2.221 18.004 -6.308 1.00 0.00 C ATOM 794 CG LYS A 55 1.080 18.172 -5.303 1.00 0.00 C ATOM 795 CD LYS A 55 0.335 16.845 -5.150 1.00 0.00 C ATOM 796 CE LYS A 55 -0.775 16.999 -4.110 1.00 0.00 C ATOM 797 NZ LYS A 55 -2.030 17.440 -4.785 1.00 0.00 N ATOM 0 H LYS A 55 4.690 18.041 -6.621 1.00 0.00 H new ATOM 0 HA LYS A 55 2.959 16.628 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.816 18.916 -6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.818 17.835 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.475 18.493 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.395 18.949 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.089 16.541 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.027 16.060 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.940 16.053 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.481 17.727 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.786 17.545 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.868 18.352 -5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.312 16.730 -5.491 1.00 0.00 H new ATOM 811 N GLU A 56 3.364 15.375 -7.808 1.00 0.00 N ATOM 812 CA GLU A 56 3.037 14.191 -8.648 1.00 0.00 C ATOM 813 C GLU A 56 3.911 13.008 -8.224 1.00 0.00 C ATOM 814 O GLU A 56 3.697 11.886 -8.638 1.00 0.00 O ATOM 815 CB GLU A 56 3.298 14.519 -10.119 1.00 0.00 C ATOM 816 CG GLU A 56 4.621 15.277 -10.248 1.00 0.00 C ATOM 817 CD GLU A 56 5.070 15.277 -11.709 1.00 0.00 C ATOM 818 OE1 GLU A 56 5.059 14.216 -12.312 1.00 0.00 O ATOM 819 OE2 GLU A 56 5.415 16.338 -12.203 1.00 0.00 O ATOM 0 H GLU A 56 4.111 15.969 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 56 1.986 13.932 -8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.334 13.601 -10.706 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.482 15.121 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.502 16.301 -9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.382 14.810 -9.623 1.00 0.00 H new ATOM 826 N GLU A 57 4.896 13.250 -7.404 1.00 0.00 N ATOM 827 CA GLU A 57 5.784 12.139 -6.957 1.00 0.00 C ATOM 828 C GLU A 57 5.035 11.259 -5.955 1.00 0.00 C ATOM 829 O GLU A 57 5.172 10.052 -5.953 1.00 0.00 O ATOM 830 CB GLU A 57 7.036 12.719 -6.295 1.00 0.00 C ATOM 831 CG GLU A 57 8.266 11.930 -6.749 1.00 0.00 C ATOM 832 CD GLU A 57 9.321 11.939 -5.641 1.00 0.00 C ATOM 833 OE1 GLU A 57 8.937 12.028 -4.487 1.00 0.00 O ATOM 834 OE2 GLU A 57 10.494 11.859 -5.967 1.00 0.00 O ATOM 0 H GLU A 57 5.125 14.168 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 57 6.076 11.539 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.147 13.770 -6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.941 12.673 -5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.984 10.905 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.676 12.368 -7.659 1.00 0.00 H new ATOM 841 N LEU A 58 4.243 11.852 -5.105 1.00 0.00 N ATOM 842 CA LEU A 58 3.485 11.044 -4.110 1.00 0.00 C ATOM 843 C LEU A 58 2.128 10.659 -4.701 1.00 0.00 C ATOM 844 O LEU A 58 1.465 9.758 -4.227 1.00 0.00 O ATOM 845 CB LEU A 58 3.282 11.863 -2.829 1.00 0.00 C ATOM 846 CG LEU A 58 4.621 12.450 -2.353 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.756 11.446 -2.589 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.917 13.739 -3.122 1.00 0.00 C ATOM 0 H LEU A 58 4.088 12.859 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 58 4.045 10.140 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.569 12.667 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.856 11.232 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 58 4.552 12.664 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.698 11.875 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.552 10.530 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.825 11.219 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.866 14.154 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.975 13.521 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.120 14.461 -2.942 1.00 0.00 H new ATOM 860 N ASP A 59 1.713 11.332 -5.740 1.00 0.00 N ATOM 861 CA ASP A 59 0.403 11.004 -6.368 1.00 0.00 C ATOM 862 C ASP A 59 0.608 9.899 -7.406 1.00 0.00 C ATOM 863 O ASP A 59 -0.307 9.178 -7.751 1.00 0.00 O ATOM 864 CB ASP A 59 -0.165 12.250 -7.051 1.00 0.00 C ATOM 865 CG ASP A 59 -1.683 12.115 -7.180 1.00 0.00 C ATOM 866 OD1 ASP A 59 -2.120 11.209 -7.870 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.382 12.918 -6.585 1.00 0.00 O ATOM 0 H ASP A 59 2.226 12.096 -6.181 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.296 10.664 -5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.084 13.140 -6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.285 12.374 -8.036 1.00 0.00 H new ATOM 872 N ALA A 60 1.806 9.760 -7.905 1.00 0.00 N ATOM 873 CA ALA A 60 2.074 8.701 -8.916 1.00 0.00 C ATOM 874 C ALA A 60 1.902 7.328 -8.264 1.00 0.00 C ATOM 875 O ALA A 60 1.556 6.360 -8.912 1.00 0.00 O ATOM 876 CB ALA A 60 3.505 8.844 -9.438 1.00 0.00 C ATOM 0 H ALA A 60 2.611 10.335 -7.655 1.00 0.00 H new ATOM 0 HA ALA A 60 1.375 8.802 -9.747 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.701 8.069 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.628 9.824 -9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.206 8.741 -8.610 1.00 0.00 H new ATOM 882 N ILE A 61 2.138 7.238 -6.982 1.00 0.00 N ATOM 883 CA ILE A 61 1.983 5.931 -6.285 1.00 0.00 C ATOM 884 C ILE A 61 0.534 5.792 -5.822 1.00 0.00 C ATOM 885 O ILE A 61 0.064 4.712 -5.524 1.00 0.00 O ATOM 886 CB ILE A 61 2.901 5.865 -5.056 1.00 0.00 C ATOM 887 CG1 ILE A 61 4.101 6.802 -5.216 1.00 0.00 C ATOM 888 CG2 ILE A 61 3.415 4.442 -4.876 1.00 0.00 C ATOM 889 CD1 ILE A 61 4.028 7.881 -4.141 1.00 0.00 C ATOM 0 H ILE A 61 2.431 8.014 -6.389 1.00 0.00 H new ATOM 0 HA ILE A 61 2.249 5.128 -6.972 1.00 0.00 H new ATOM 0 HB ILE A 61 2.322 6.174 -4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.032 6.242 -5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.096 7.256 -6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.066 4.398 -4.003 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.572 3.766 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.975 4.143 -5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.878 8.555 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.102 8.445 -4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.052 7.415 -3.156 1.00 0.00 H new ATOM 901 N ILE A 62 -0.174 6.885 -5.752 1.00 0.00 N ATOM 902 CA ILE A 62 -1.590 6.832 -5.300 1.00 0.00 C ATOM 903 C ILE A 62 -2.477 6.332 -6.443 1.00 0.00 C ATOM 904 O ILE A 62 -3.448 5.636 -6.229 1.00 0.00 O ATOM 905 CB ILE A 62 -2.031 8.235 -4.875 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.361 8.590 -3.545 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.553 8.284 -4.708 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.980 7.759 -2.420 1.00 0.00 C ATOM 0 H ILE A 62 0.170 7.815 -5.990 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.682 6.149 -4.456 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.737 8.951 -5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.289 8.400 -3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.485 9.653 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.854 9.287 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.031 8.032 -5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.859 7.568 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.502 8.013 -1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.047 7.972 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.833 6.699 -2.627 1.00 0.00 H new ATOM 920 N GLU A 63 -2.151 6.680 -7.658 1.00 0.00 N ATOM 921 CA GLU A 63 -2.978 6.222 -8.809 1.00 0.00 C ATOM 922 C GLU A 63 -2.688 4.747 -9.096 1.00 0.00 C ATOM 923 O GLU A 63 -3.443 4.076 -9.772 1.00 0.00 O ATOM 924 CB GLU A 63 -2.638 7.059 -10.045 1.00 0.00 C ATOM 925 CG GLU A 63 -3.907 7.305 -10.863 1.00 0.00 C ATOM 926 CD GLU A 63 -4.108 8.810 -11.052 1.00 0.00 C ATOM 927 OE1 GLU A 63 -4.299 9.491 -10.059 1.00 0.00 O ATOM 928 OE2 GLU A 63 -4.071 9.254 -12.187 1.00 0.00 O ATOM 0 H GLU A 63 -1.349 7.261 -7.903 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.034 6.342 -8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.198 8.009 -9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.895 6.543 -10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.829 6.813 -11.833 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.769 6.873 -10.355 1.00 0.00 H new ATOM 935 N GLU A 64 -1.599 4.237 -8.589 1.00 0.00 N ATOM 936 CA GLU A 64 -1.261 2.806 -8.834 1.00 0.00 C ATOM 937 C GLU A 64 -2.160 1.913 -7.974 1.00 0.00 C ATOM 938 O GLU A 64 -2.217 0.713 -8.159 1.00 0.00 O ATOM 939 CB GLU A 64 0.208 2.562 -8.473 1.00 0.00 C ATOM 940 CG GLU A 64 0.473 1.059 -8.354 1.00 0.00 C ATOM 941 CD GLU A 64 1.968 0.819 -8.136 1.00 0.00 C ATOM 942 OE1 GLU A 64 2.756 1.491 -8.778 1.00 0.00 O ATOM 943 OE2 GLU A 64 2.298 -0.034 -7.329 1.00 0.00 O ATOM 0 H GLU A 64 -0.929 4.749 -8.016 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.420 2.568 -9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.856 2.995 -9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.447 3.058 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.098 0.643 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.140 0.548 -9.257 1.00 0.00 H new ATOM 950 N VAL A 65 -2.865 2.487 -7.036 1.00 0.00 N ATOM 951 CA VAL A 65 -3.759 1.665 -6.171 1.00 0.00 C ATOM 952 C VAL A 65 -4.962 2.503 -5.738 1.00 0.00 C ATOM 953 O VAL A 65 -6.097 2.113 -5.919 1.00 0.00 O ATOM 954 CB VAL A 65 -2.994 1.192 -4.933 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.312 -0.143 -5.236 1.00 0.00 C ATOM 956 CG2 VAL A 65 -1.934 2.228 -4.552 1.00 0.00 C ATOM 0 H VAL A 65 -2.860 3.486 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.102 0.797 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.692 1.068 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.767 -0.481 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.065 -0.884 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.617 -0.016 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.392 1.887 -3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.236 2.356 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.418 3.180 -4.335 1.00 0.00 H new ATOM 966 N ASP A 66 -4.725 3.654 -5.169 1.00 0.00 N ATOM 967 CA ASP A 66 -5.860 4.515 -4.729 1.00 0.00 C ATOM 968 C ASP A 66 -6.615 5.021 -5.961 1.00 0.00 C ATOM 969 O ASP A 66 -6.353 6.097 -6.460 1.00 0.00 O ATOM 970 CB ASP A 66 -5.313 5.706 -3.939 1.00 0.00 C ATOM 971 CG ASP A 66 -6.408 6.764 -3.780 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.293 6.554 -2.967 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.342 7.765 -4.474 1.00 0.00 O ATOM 0 H ASP A 66 -3.796 4.035 -4.990 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.537 3.940 -4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.966 5.377 -2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.453 6.133 -4.455 1.00 0.00 H new ATOM 978 N GLU A 67 -7.549 4.255 -6.456 1.00 0.00 N ATOM 979 CA GLU A 67 -8.313 4.699 -7.655 1.00 0.00 C ATOM 980 C GLU A 67 -9.602 5.394 -7.212 1.00 0.00 C ATOM 981 O GLU A 67 -10.140 6.227 -7.912 1.00 0.00 O ATOM 982 CB GLU A 67 -8.658 3.487 -8.523 1.00 0.00 C ATOM 983 CG GLU A 67 -9.341 2.418 -7.667 1.00 0.00 C ATOM 984 CD GLU A 67 -10.155 1.487 -8.567 1.00 0.00 C ATOM 985 OE1 GLU A 67 -9.929 1.507 -9.766 1.00 0.00 O ATOM 986 OE2 GLU A 67 -10.991 0.768 -8.043 1.00 0.00 O ATOM 0 H GLU A 67 -7.815 3.344 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.705 5.395 -8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.315 3.787 -9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.753 3.081 -8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.594 1.847 -7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.991 2.888 -6.929 1.00 0.00 H new ATOM 993 N ASP A 68 -10.101 5.059 -6.053 1.00 0.00 N ATOM 994 CA ASP A 68 -11.354 5.704 -5.566 1.00 0.00 C ATOM 995 C ASP A 68 -11.288 7.208 -5.834 1.00 0.00 C ATOM 996 O ASP A 68 -12.166 7.778 -6.452 1.00 0.00 O ATOM 997 CB ASP A 68 -11.499 5.461 -4.063 1.00 0.00 C ATOM 998 CG ASP A 68 -12.945 5.722 -3.638 1.00 0.00 C ATOM 999 OD1 ASP A 68 -13.587 6.546 -4.267 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -13.385 5.092 -2.691 1.00 0.00 O ATOM 0 H ASP A 68 -9.696 4.367 -5.423 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.211 5.278 -6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.218 4.436 -3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.824 6.115 -3.512 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.253 7.856 -5.373 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.130 9.324 -5.600 1.00 0.00 C ATOM 1007 C GLY A 69 -9.704 10.004 -4.297 1.00 0.00 C ATOM 1008 O GLY A 69 -9.050 11.028 -4.304 1.00 0.00 O ATOM 0 H GLY A 69 -9.487 7.432 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.398 9.522 -6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.081 9.732 -5.942 1.00 0.00 H new ATOM 1012 N SER A 70 -10.070 9.441 -3.178 1.00 0.00 N ATOM 1013 CA SER A 70 -9.688 10.051 -1.874 1.00 0.00 C ATOM 1014 C SER A 70 -8.200 10.406 -1.894 1.00 0.00 C ATOM 1015 O SER A 70 -7.777 11.383 -1.307 1.00 0.00 O ATOM 1016 CB SER A 70 -9.956 9.052 -0.748 1.00 0.00 C ATOM 1017 OG SER A 70 -11.342 9.054 -0.438 1.00 0.00 O ATOM 0 H SER A 70 -10.618 8.583 -3.111 1.00 0.00 H new ATOM 0 HA SER A 70 -10.276 10.954 -1.709 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.641 8.053 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.374 9.317 0.135 1.00 0.00 H new ATOM 0 HG SER A 70 -11.517 8.413 0.282 1.00 0.00 H new ATOM 1023 N GLY A 71 -7.403 9.618 -2.561 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.942 9.909 -2.614 1.00 0.00 C ATOM 1025 C GLY A 71 -5.265 9.334 -1.369 1.00 0.00 C ATOM 1026 O GLY A 71 -4.353 9.919 -0.819 1.00 0.00 O ATOM 0 H GLY A 71 -7.699 8.786 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.505 9.474 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.776 10.985 -2.668 1.00 0.00 H new ATOM 1030 N THR A 72 -5.707 8.191 -0.918 1.00 0.00 N ATOM 1031 CA THR A 72 -5.091 7.578 0.296 1.00 0.00 C ATOM 1032 C THR A 72 -5.339 6.073 0.279 1.00 0.00 C ATOM 1033 O THR A 72 -6.230 5.590 -0.392 1.00 0.00 O ATOM 1034 CB THR A 72 -5.708 8.177 1.573 1.00 0.00 C ATOM 1035 OG1 THR A 72 -6.450 7.180 2.264 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.635 9.338 1.216 1.00 0.00 C ATOM 0 H THR A 72 -6.467 7.655 -1.337 1.00 0.00 H new ATOM 0 HA THR A 72 -4.020 7.783 0.290 1.00 0.00 H new ATOM 0 HB THR A 72 -4.903 8.542 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.839 7.566 3.076 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.065 9.753 2.127 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.067 10.111 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.435 8.979 0.568 1.00 0.00 H new ATOM 1044 N ILE A 73 -4.566 5.331 1.019 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.765 3.860 1.049 1.00 0.00 C ATOM 1046 C ILE A 73 -4.523 3.343 2.469 1.00 0.00 C ATOM 1047 O ILE A 73 -3.849 3.971 3.262 1.00 0.00 O ATOM 1048 CB ILE A 73 -3.780 3.191 0.090 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -4.149 3.545 -1.353 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -3.840 1.674 0.273 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -2.907 4.053 -2.088 1.00 0.00 C ATOM 0 H ILE A 73 -3.806 5.680 1.603 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.785 3.625 0.744 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.771 3.544 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.553 2.669 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.928 4.307 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.138 1.197 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.576 1.421 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.849 1.322 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.170 4.305 -3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.523 4.940 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.142 3.277 -2.089 1.00 0.00 H new ATOM 1063 N ASP A 74 -5.064 2.202 2.796 1.00 0.00 N ATOM 1064 CA ASP A 74 -4.859 1.645 4.162 1.00 0.00 C ATOM 1065 C ASP A 74 -3.983 0.393 4.069 1.00 0.00 C ATOM 1066 O ASP A 74 -3.532 0.021 3.004 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.214 1.282 4.773 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.191 2.442 4.571 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -7.064 3.428 5.280 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.049 2.325 3.713 1.00 0.00 O ATOM 0 H ASP A 74 -5.639 1.631 2.176 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.368 2.387 4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.605 0.378 4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.100 1.069 5.836 1.00 0.00 H new ATOM 1075 N PHE A 75 -3.736 -0.259 5.171 1.00 0.00 N ATOM 1076 CA PHE A 75 -2.885 -1.481 5.132 1.00 0.00 C ATOM 1077 C PHE A 75 -3.604 -2.577 4.335 1.00 0.00 C ATOM 1078 O PHE A 75 -3.005 -3.545 3.910 1.00 0.00 O ATOM 1079 CB PHE A 75 -2.607 -1.958 6.569 1.00 0.00 C ATOM 1080 CG PHE A 75 -3.714 -2.871 7.048 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -5.029 -2.396 7.131 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -3.424 -4.194 7.404 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -6.052 -3.245 7.569 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -4.449 -5.043 7.841 1.00 0.00 C ATOM 1085 CZ PHE A 75 -5.762 -4.568 7.924 1.00 0.00 C ATOM 0 H PHE A 75 -4.085 0.000 6.094 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.936 -1.256 4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.653 -2.484 6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.523 -1.098 7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.253 -1.376 6.857 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.410 -4.560 7.342 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.066 -2.879 7.633 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.226 -6.064 8.114 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.552 -5.222 8.262 1.00 0.00 H new ATOM 1095 N GLU A 76 -4.886 -2.432 4.135 1.00 0.00 N ATOM 1096 CA GLU A 76 -5.648 -3.462 3.374 1.00 0.00 C ATOM 1097 C GLU A 76 -5.259 -3.412 1.893 1.00 0.00 C ATOM 1098 O GLU A 76 -4.625 -4.312 1.378 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.147 -3.188 3.513 1.00 0.00 C ATOM 1100 CG GLU A 76 -7.911 -4.514 3.533 1.00 0.00 C ATOM 1101 CD GLU A 76 -8.044 -5.005 4.975 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -7.160 -5.717 5.422 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -9.028 -4.661 5.609 1.00 0.00 O ATOM 0 H GLU A 76 -5.439 -1.642 4.467 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.414 -4.449 3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.342 -2.631 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.492 -2.570 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.898 -4.384 3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.387 -5.257 2.932 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.642 -2.374 1.204 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.305 -2.269 -0.245 1.00 0.00 C ATOM 1112 C GLU A 77 -3.787 -2.201 -0.425 1.00 0.00 C ATOM 1113 O GLU A 77 -3.264 -2.502 -1.479 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.940 -1.002 -0.823 1.00 0.00 C ATOM 1115 CG GLU A 77 -6.960 -1.387 -1.896 1.00 0.00 C ATOM 1116 CD GLU A 77 -7.511 -0.121 -2.553 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -8.410 0.475 -1.984 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -7.025 0.232 -3.615 1.00 0.00 O ATOM 0 H GLU A 77 -6.175 -1.591 1.582 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.689 -3.146 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.427 -0.432 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.171 -0.360 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.492 -2.025 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.772 -1.962 -1.451 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.074 -1.802 0.591 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.592 -1.711 0.469 1.00 0.00 C ATOM 1127 C PHE A 78 -0.994 -3.116 0.351 1.00 0.00 C ATOM 1128 O PHE A 78 0.087 -3.299 -0.172 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.019 -1.017 1.708 1.00 0.00 C ATOM 1130 CG PHE A 78 0.483 -1.160 1.714 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.253 -0.509 0.742 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.107 -1.945 2.690 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.646 -0.645 0.746 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.500 -2.081 2.694 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.269 -1.432 1.722 1.00 0.00 C ATOM 0 H PHE A 78 -3.453 -1.535 1.500 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.340 -1.136 -0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.295 0.038 1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.441 -1.456 2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.772 0.098 -0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.514 -2.446 3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.240 -0.143 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.981 -2.687 3.447 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.344 -1.538 1.725 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.686 -4.111 0.836 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.150 -5.500 0.753 1.00 0.00 C ATOM 1147 C LEU A 79 -1.102 -5.949 -0.709 1.00 0.00 C ATOM 1148 O LEU A 79 -0.071 -6.346 -1.213 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.059 -6.443 1.545 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.952 -6.122 3.037 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -3.267 -6.480 3.733 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.811 -6.936 3.653 1.00 0.00 C ATOM 0 H LEU A 79 -2.597 -4.023 1.285 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.143 -5.524 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.091 -6.335 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.772 -7.479 1.364 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.751 -5.058 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.190 -6.251 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.080 -5.901 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.469 -7.543 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.734 -6.708 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.012 -8.000 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.126 -6.681 3.158 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.211 -5.892 -1.393 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.235 -6.320 -2.821 1.00 0.00 C ATOM 1166 C VAL A 80 -1.068 -5.676 -3.577 1.00 0.00 C ATOM 1167 O VAL A 80 -0.605 -6.191 -4.575 1.00 0.00 O ATOM 1168 CB VAL A 80 -3.557 -5.887 -3.456 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -3.830 -4.422 -3.113 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -3.471 -6.047 -4.975 1.00 0.00 C ATOM 0 H VAL A 80 -3.104 -5.567 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.140 -7.405 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.366 -6.508 -3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.772 -4.112 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.892 -4.307 -2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.021 -3.801 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.413 -5.738 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.663 -5.426 -5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.276 -7.091 -5.220 1.00 0.00 H new ATOM 1180 N MET A 81 -0.593 -4.552 -3.115 1.00 0.00 N ATOM 1181 CA MET A 81 0.538 -3.881 -3.815 1.00 0.00 C ATOM 1182 C MET A 81 1.755 -4.810 -3.839 1.00 0.00 C ATOM 1183 O MET A 81 2.381 -5.001 -4.864 1.00 0.00 O ATOM 1184 CB MET A 81 0.897 -2.588 -3.079 1.00 0.00 C ATOM 1185 CG MET A 81 1.632 -1.645 -4.033 1.00 0.00 C ATOM 1186 SD MET A 81 1.202 0.068 -3.637 1.00 0.00 S ATOM 1187 CE MET A 81 2.123 0.180 -2.084 1.00 0.00 C ATOM 0 H MET A 81 -0.938 -4.070 -2.285 1.00 0.00 H new ATOM 0 HA MET A 81 0.242 -3.649 -4.838 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.006 -2.109 -2.702 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.524 -2.811 -2.216 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.709 -1.790 -3.947 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.361 -1.870 -5.065 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.614 0.868 -1.408 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.180 -0.806 -1.623 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.130 0.546 -2.284 1.00 0.00 H new ATOM 1197 N MET A 82 2.100 -5.386 -2.720 1.00 0.00 N ATOM 1198 CA MET A 82 3.279 -6.297 -2.685 1.00 0.00 C ATOM 1199 C MET A 82 2.876 -7.688 -3.180 1.00 0.00 C ATOM 1200 O MET A 82 3.713 -8.506 -3.508 1.00 0.00 O ATOM 1201 CB MET A 82 3.803 -6.399 -1.250 1.00 0.00 C ATOM 1202 CG MET A 82 2.650 -6.748 -0.307 1.00 0.00 C ATOM 1203 SD MET A 82 3.310 -7.526 1.190 1.00 0.00 S ATOM 1204 CE MET A 82 4.644 -6.341 1.492 1.00 0.00 C ATOM 0 H MET A 82 1.617 -5.265 -1.830 1.00 0.00 H new ATOM 0 HA MET A 82 4.060 -5.898 -3.332 1.00 0.00 H new ATOM 0 HB2 MET A 82 4.580 -7.161 -1.189 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.258 -5.455 -0.950 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.093 -5.848 -0.047 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.952 -7.422 -0.803 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.238 -6.671 2.345 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.281 -6.277 0.610 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.218 -5.360 1.704 1.00 0.00 H new ATOM 1214 N VAL A 83 1.602 -7.965 -3.236 1.00 0.00 N ATOM 1215 CA VAL A 83 1.153 -9.305 -3.710 1.00 0.00 C ATOM 1216 C VAL A 83 1.016 -9.291 -5.234 1.00 0.00 C ATOM 1217 O VAL A 83 0.391 -10.153 -5.818 1.00 0.00 O ATOM 1218 CB VAL A 83 -0.199 -9.643 -3.081 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -0.553 -11.100 -3.387 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.120 -9.445 -1.566 1.00 0.00 C ATOM 0 H VAL A 83 0.854 -7.323 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 83 1.888 -10.056 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.966 -8.988 -3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.517 -11.342 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.609 -11.242 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.214 -11.755 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.084 -9.686 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.647 -10.100 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.133 -8.408 -1.347 1.00 0.00 H new ATOM 1230 N ARG A 84 1.595 -8.319 -5.884 1.00 0.00 N ATOM 1231 CA ARG A 84 1.495 -8.255 -7.369 1.00 0.00 C ATOM 1232 C ARG A 84 2.658 -9.030 -7.991 1.00 0.00 C ATOM 1233 O ARG A 84 2.490 -10.125 -8.490 1.00 0.00 O ATOM 1234 CB ARG A 84 1.551 -6.795 -7.824 1.00 0.00 C ATOM 1235 CG ARG A 84 0.465 -6.545 -8.872 1.00 0.00 C ATOM 1236 CD ARG A 84 0.188 -5.044 -8.972 1.00 0.00 C ATOM 1237 NE ARG A 84 -1.275 -4.819 -9.146 1.00 0.00 N ATOM 1238 CZ ARG A 84 -1.728 -3.614 -9.361 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -1.260 -2.910 -10.355 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -2.649 -3.113 -8.584 1.00 0.00 N ATOM 0 H ARG A 84 2.132 -7.567 -5.452 1.00 0.00 H new ATOM 0 HA ARG A 84 0.551 -8.697 -7.689 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.408 -6.131 -6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.533 -6.570 -8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.783 -6.932 -9.840 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.447 -7.077 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.540 -4.538 -8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.735 -4.618 -9.813 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.922 -5.606 -9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.541 -3.302 -10.963 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.613 -1.968 -10.524 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.016 -3.663 -7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.002 -2.171 -8.753 1.00 0.00 H new ATOM 1254 N GLN A 85 3.838 -8.473 -7.963 1.00 0.00 N ATOM 1255 CA GLN A 85 5.010 -9.180 -8.551 1.00 0.00 C ATOM 1256 C GLN A 85 5.657 -10.064 -7.485 1.00 0.00 C ATOM 1257 O GLN A 85 6.604 -9.673 -6.832 1.00 0.00 O ATOM 1258 CB GLN A 85 6.029 -8.155 -9.051 1.00 0.00 C ATOM 1259 CG GLN A 85 7.242 -8.883 -9.632 1.00 0.00 C ATOM 1260 CD GLN A 85 8.511 -8.081 -9.339 1.00 0.00 C ATOM 1261 OE1 GLN A 85 9.518 -8.637 -8.948 1.00 0.00 O ATOM 1262 NE2 GLN A 85 8.506 -6.788 -9.512 1.00 0.00 N ATOM 0 H GLN A 85 4.041 -7.559 -7.558 1.00 0.00 H new ATOM 0 HA GLN A 85 4.680 -9.798 -9.386 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.576 -7.517 -9.810 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.339 -7.506 -8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.322 -9.880 -9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.121 -9.011 -10.708 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.661 -6.321 -9.840 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.347 -6.244 -9.319 1.00 0.00 H new ATOM 1271 N MET A 86 5.153 -11.253 -7.301 1.00 0.00 N ATOM 1272 CA MET A 86 5.739 -12.161 -6.275 1.00 0.00 C ATOM 1273 C MET A 86 6.904 -12.939 -6.888 1.00 0.00 C ATOM 1274 O MET A 86 6.767 -13.574 -7.914 1.00 0.00 O ATOM 1275 CB MET A 86 4.670 -13.143 -5.793 1.00 0.00 C ATOM 1276 CG MET A 86 3.731 -12.437 -4.814 1.00 0.00 C ATOM 1277 SD MET A 86 4.672 -11.879 -3.371 1.00 0.00 S ATOM 1278 CE MET A 86 3.391 -12.195 -2.134 1.00 0.00 C ATOM 0 H MET A 86 4.360 -11.635 -7.817 1.00 0.00 H new ATOM 0 HA MET A 86 6.099 -11.571 -5.432 1.00 0.00 H new ATOM 0 HB2 MET A 86 4.105 -13.527 -6.642 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.140 -13.999 -5.309 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.253 -11.587 -5.301 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.936 -13.115 -4.503 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.946 -11.250 -1.822 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.620 -12.835 -2.564 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.834 -12.691 -1.270 1.00 0.00 H new ATOM 1288 N LYS A 87 8.051 -12.898 -6.267 1.00 0.00 N ATOM 1289 CA LYS A 87 9.222 -13.637 -6.815 1.00 0.00 C ATOM 1290 C LYS A 87 8.860 -15.115 -6.979 1.00 0.00 C ATOM 1291 O LYS A 87 9.474 -15.834 -7.741 1.00 0.00 O ATOM 1292 CB LYS A 87 10.406 -13.505 -5.855 1.00 0.00 C ATOM 1293 CG LYS A 87 11.499 -12.654 -6.503 1.00 0.00 C ATOM 1294 CD LYS A 87 12.709 -12.578 -5.567 1.00 0.00 C ATOM 1295 CE LYS A 87 12.379 -11.674 -4.379 1.00 0.00 C ATOM 1296 NZ LYS A 87 13.606 -10.944 -3.950 1.00 0.00 N ATOM 0 H LYS A 87 8.227 -12.384 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 87 9.494 -13.219 -7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.081 -13.047 -4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.798 -14.491 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.792 -13.086 -7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.121 -11.652 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.974 -13.575 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.574 -12.189 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.599 -10.964 -4.655 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.990 -12.269 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.380 -10.330 -3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.337 -11.629 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.958 -10.364 -4.738 1.00 0.00 H new ATOM 1310 N GLU A 88 7.866 -15.575 -6.269 1.00 0.00 N ATOM 1311 CA GLU A 88 7.466 -17.005 -6.387 1.00 0.00 C ATOM 1312 C GLU A 88 7.388 -17.389 -7.865 1.00 0.00 C ATOM 1313 O GLU A 88 7.783 -18.468 -8.259 1.00 0.00 O ATOM 1314 CB GLU A 88 6.096 -17.206 -5.736 1.00 0.00 C ATOM 1315 CG GLU A 88 5.951 -18.663 -5.290 1.00 0.00 C ATOM 1316 CD GLU A 88 4.673 -18.820 -4.464 1.00 0.00 C ATOM 1317 OE1 GLU A 88 4.347 -17.899 -3.733 1.00 0.00 O ATOM 1318 OE2 GLU A 88 4.042 -19.858 -4.575 1.00 0.00 O ATOM 0 H GLU A 88 7.314 -15.022 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 88 8.203 -17.632 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.987 -16.540 -4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.305 -16.950 -6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.917 -19.319 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.817 -18.961 -4.699 1.00 0.00 H new ATOM 1325 N ASP A 89 6.883 -16.511 -8.687 1.00 0.00 N ATOM 1326 CA ASP A 89 6.780 -16.823 -10.141 1.00 0.00 C ATOM 1327 C ASP A 89 6.184 -15.620 -10.876 1.00 0.00 C ATOM 1328 O ASP A 89 6.817 -15.021 -11.722 1.00 0.00 O ATOM 1329 CB ASP A 89 5.880 -18.043 -10.341 1.00 0.00 C ATOM 1330 CG ASP A 89 5.885 -18.447 -11.815 1.00 0.00 C ATOM 1331 OD1 ASP A 89 6.851 -18.132 -12.492 1.00 0.00 O ATOM 1332 OD2 ASP A 89 4.924 -19.065 -12.244 1.00 0.00 O ATOM 0 H ASP A 89 6.537 -15.591 -8.415 1.00 0.00 H new ATOM 0 HA ASP A 89 7.772 -17.038 -10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.231 -18.871 -9.725 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.864 -17.815 -10.019 1.00 0.00 H new ATOM 1337 N ALA A 90 4.969 -15.261 -10.559 1.00 0.00 N ATOM 1338 CA ALA A 90 4.334 -14.098 -11.238 1.00 0.00 C ATOM 1339 C ALA A 90 4.610 -14.171 -12.742 1.00 0.00 C ATOM 1340 O ALA A 90 5.606 -13.612 -13.169 1.00 0.00 O ATOM 1341 CB ALA A 90 4.918 -12.799 -10.676 1.00 0.00 C ATOM 1342 OXT ALA A 90 3.822 -14.789 -13.439 1.00 0.00 O ATOM 0 H ALA A 90 4.390 -15.724 -9.859 1.00 0.00 H new ATOM 0 HA ALA A 90 3.258 -14.119 -11.064 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.454 -11.947 -11.172 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.723 -12.746 -9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.994 -12.779 -10.850 1.00 0.00 H new TER 1348 ALA A 90