USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 548 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 37 GLN : amide:sc= 0.665 K(o=1.3,f=-1.8) USER MOD Set 1.2: A 56 ASN : amide:sc= 0.657 K(o=1.3,f=-1.9) USER MOD Set 2.1: A 29 HIS : no HD1:sc= 1.08 K(o=2.4,f=-4.3!) USER MOD Set 2.2: A 38 SER OG : rot -78:sc= 1.32 USER MOD Single : A 1 ALA N :NH3+ -106:sc= 0.0727 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 7 SER OG : rot -120:sc= -0.0572 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 151:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0898 X(o=-0.09,f=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0884 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0659 K(o=-0.066,f=-1.7) USER MOD Single : A 49 MET CE :methyl 172:sc= -0.0332 (180deg=-0.147) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 42:sc= 0.0506 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0936 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -22.991 -1.371 24.618 1.00 0.00 N ATOM 2 CA ALA A 1 -22.428 -0.761 23.388 1.00 0.00 C ATOM 3 C ALA A 1 -21.736 -1.814 22.504 1.00 0.00 C ATOM 4 O ALA A 1 -21.430 -2.917 22.964 1.00 0.00 O ATOM 5 CB ALA A 1 -21.467 0.393 23.731 1.00 0.00 C ATOM 0 H1 ALA A 1 -24.026 -1.428 24.535 1.00 0.00 H new ATOM 0 H2 ALA A 1 -22.600 -2.327 24.742 1.00 0.00 H new ATOM 0 H3 ALA A 1 -22.742 -0.786 25.441 1.00 0.00 H new ATOM 0 HA ALA A 1 -23.259 -0.347 22.817 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -21.070 0.821 22.811 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -22.005 1.162 24.286 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.646 0.014 24.339 1.00 0.00 H new ATOM 13 N GLY A 2 -21.483 -1.484 21.231 1.00 0.00 N ATOM 14 CA GLY A 2 -20.746 -2.330 20.275 1.00 0.00 C ATOM 15 C GLY A 2 -19.218 -2.222 20.408 1.00 0.00 C ATOM 16 O GLY A 2 -18.703 -1.416 21.192 1.00 0.00 O ATOM 0 H GLY A 2 -21.791 -0.601 20.825 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -21.042 -3.369 20.419 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -21.034 -2.054 19.261 1.00 0.00 H new ATOM 20 N HIS A 3 -18.485 -3.032 19.631 1.00 0.00 N ATOM 21 CA HIS A 3 -17.010 -3.076 19.610 1.00 0.00 C ATOM 22 C HIS A 3 -16.472 -3.396 18.200 1.00 0.00 C ATOM 23 O HIS A 3 -15.941 -4.482 17.957 1.00 0.00 O ATOM 24 CB HIS A 3 -16.525 -4.062 20.703 1.00 0.00 C ATOM 25 CG HIS A 3 -15.126 -3.814 21.228 1.00 0.00 C ATOM 26 ND1 HIS A 3 -14.752 -3.920 22.557 1.00 0.00 N ATOM 27 CD2 HIS A 3 -14.016 -3.463 20.506 1.00 0.00 C ATOM 28 CE1 HIS A 3 -13.438 -3.629 22.642 1.00 0.00 C ATOM 29 NE2 HIS A 3 -12.971 -3.345 21.408 1.00 0.00 N ATOM 0 H HIS A 3 -18.910 -3.694 18.981 1.00 0.00 H new ATOM 0 HA HIS A 3 -16.602 -2.093 19.845 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -17.222 -4.021 21.540 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -16.570 -5.074 20.301 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.965 -3.308 19.438 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -12.854 -3.624 23.550 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.011 -3.087 21.178 1.00 0.00 H new ATOM 38 N MET A 4 -16.606 -2.452 17.262 1.00 0.00 N ATOM 39 CA MET A 4 -16.121 -2.569 15.871 1.00 0.00 C ATOM 40 C MET A 4 -15.078 -1.493 15.523 1.00 0.00 C ATOM 41 O MET A 4 -15.178 -0.347 15.970 1.00 0.00 O ATOM 42 CB MET A 4 -17.295 -2.512 14.877 1.00 0.00 C ATOM 43 CG MET A 4 -18.328 -3.622 15.107 1.00 0.00 C ATOM 44 SD MET A 4 -19.422 -3.909 13.686 1.00 0.00 S ATOM 45 CE MET A 4 -20.409 -5.286 14.335 1.00 0.00 C ATOM 0 H MET A 4 -17.066 -1.561 17.448 1.00 0.00 H new ATOM 0 HA MET A 4 -15.630 -3.539 15.789 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.787 -1.543 14.959 1.00 0.00 H new ATOM 0 HB3 MET A 4 -16.908 -2.588 13.861 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.805 -4.549 15.345 1.00 0.00 H new ATOM 0 HG3 MET A 4 -18.935 -3.367 15.976 1.00 0.00 H new ATOM 0 HE1 MET A 4 -21.140 -5.594 13.587 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.754 -6.125 14.569 1.00 0.00 H new ATOM 0 HE3 MET A 4 -20.928 -4.967 15.239 1.00 0.00 H new ATOM 55 N GLN A 5 -14.082 -1.863 14.707 1.00 0.00 N ATOM 56 CA GLN A 5 -12.981 -1.000 14.245 1.00 0.00 C ATOM 57 C GLN A 5 -12.435 -1.482 12.876 1.00 0.00 C ATOM 58 O GLN A 5 -11.245 -1.776 12.722 1.00 0.00 O ATOM 59 CB GLN A 5 -11.891 -0.952 15.343 1.00 0.00 C ATOM 60 CG GLN A 5 -10.814 0.135 15.136 1.00 0.00 C ATOM 61 CD GLN A 5 -11.116 1.456 15.847 1.00 0.00 C ATOM 62 OE1 GLN A 5 -11.316 1.521 17.054 1.00 0.00 O ATOM 63 NE2 GLN A 5 -11.117 2.575 15.150 1.00 0.00 N ATOM 0 H GLN A 5 -14.017 -2.810 14.334 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.343 0.015 14.081 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.373 -0.788 16.307 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.401 -1.925 15.393 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.856 -0.245 15.490 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.706 0.326 14.068 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.953 2.549 14.144 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.282 3.467 15.617 1.00 0.00 H new ATOM 72 N THR A 6 -13.308 -1.622 11.874 1.00 0.00 N ATOM 73 CA THR A 6 -12.907 -1.968 10.491 1.00 0.00 C ATOM 74 C THR A 6 -12.278 -0.766 9.774 1.00 0.00 C ATOM 75 O THR A 6 -12.560 0.391 10.104 1.00 0.00 O ATOM 76 CB THR A 6 -14.089 -2.490 9.647 1.00 0.00 C ATOM 77 OG1 THR A 6 -15.312 -1.864 9.985 1.00 0.00 O ATOM 78 CG2 THR A 6 -14.266 -3.997 9.825 1.00 0.00 C ATOM 0 H THR A 6 -14.314 -1.500 11.990 1.00 0.00 H new ATOM 0 HA THR A 6 -12.170 -2.766 10.585 1.00 0.00 H new ATOM 0 HB THR A 6 -13.843 -2.254 8.612 1.00 0.00 H new ATOM 0 HG1 THR A 6 -16.030 -2.225 9.424 1.00 0.00 H new ATOM 0 HG21 THR A 6 -15.105 -4.339 9.219 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.358 -4.510 9.509 1.00 0.00 H new ATOM 0 HG23 THR A 6 -14.461 -4.219 10.874 1.00 0.00 H new ATOM 86 N SER A 7 -11.423 -1.031 8.779 1.00 0.00 N ATOM 87 CA SER A 7 -10.809 0.006 7.934 1.00 0.00 C ATOM 88 C SER A 7 -11.682 0.378 6.722 1.00 0.00 C ATOM 89 O SER A 7 -12.743 -0.213 6.497 1.00 0.00 O ATOM 90 CB SER A 7 -9.419 -0.443 7.467 1.00 0.00 C ATOM 91 OG SER A 7 -8.584 0.699 7.379 1.00 0.00 O ATOM 0 H SER A 7 -11.134 -1.978 8.534 1.00 0.00 H new ATOM 0 HA SER A 7 -10.717 0.902 8.548 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.000 -1.166 8.167 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.486 -0.939 6.499 1.00 0.00 H new ATOM 0 HG SER A 7 -8.262 0.798 6.459 1.00 0.00 H new ATOM 97 N PHE A 8 -11.235 1.353 5.926 1.00 0.00 N ATOM 98 CA PHE A 8 -11.876 1.771 4.671 1.00 0.00 C ATOM 99 C PHE A 8 -11.223 1.104 3.440 1.00 0.00 C ATOM 100 O PHE A 8 -10.104 0.584 3.509 1.00 0.00 O ATOM 101 CB PHE A 8 -11.841 3.309 4.587 1.00 0.00 C ATOM 102 CG PHE A 8 -12.636 3.911 3.435 1.00 0.00 C ATOM 103 CD1 PHE A 8 -14.037 3.773 3.391 1.00 0.00 C ATOM 104 CD2 PHE A 8 -11.980 4.598 2.395 1.00 0.00 C ATOM 105 CE1 PHE A 8 -14.765 4.303 2.309 1.00 0.00 C ATOM 106 CE2 PHE A 8 -12.703 5.121 1.309 1.00 0.00 C ATOM 107 CZ PHE A 8 -14.099 4.972 1.267 1.00 0.00 C ATOM 0 H PHE A 8 -10.394 1.890 6.140 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.914 1.439 4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -12.221 3.717 5.523 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.803 3.629 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -14.554 3.260 4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.908 4.724 2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -15.839 4.195 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -12.188 5.635 0.511 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.660 5.371 0.435 1.00 0.00 H new ATOM 117 N LYS A 9 -11.938 1.110 2.307 1.00 0.00 N ATOM 118 CA LYS A 9 -11.487 0.631 0.985 1.00 0.00 C ATOM 119 C LYS A 9 -10.511 1.625 0.317 1.00 0.00 C ATOM 120 O LYS A 9 -10.010 2.559 0.948 1.00 0.00 O ATOM 121 CB LYS A 9 -12.737 0.333 0.112 1.00 0.00 C ATOM 122 CG LYS A 9 -12.943 -1.161 -0.203 1.00 0.00 C ATOM 123 CD LYS A 9 -11.829 -1.781 -1.068 1.00 0.00 C ATOM 124 CE LYS A 9 -12.153 -3.226 -1.475 1.00 0.00 C ATOM 125 NZ LYS A 9 -13.108 -3.293 -2.615 1.00 0.00 N ATOM 0 H LYS A 9 -12.894 1.465 2.282 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.918 -0.291 1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.622 0.711 0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.651 0.882 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.010 -1.713 0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.897 -1.285 -0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.686 -1.176 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.889 -1.762 -0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.231 -3.740 -1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.574 -3.756 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.295 -4.288 -2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.999 -2.827 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.698 -2.811 -3.440 1.00 0.00 H new ATOM 139 N THR A 10 -10.203 1.400 -0.962 1.00 0.00 N ATOM 140 CA THR A 10 -9.380 2.280 -1.810 1.00 0.00 C ATOM 141 C THR A 10 -9.882 3.730 -1.746 1.00 0.00 C ATOM 142 O THR A 10 -11.090 3.978 -1.708 1.00 0.00 O ATOM 143 CB THR A 10 -9.410 1.775 -3.263 1.00 0.00 C ATOM 144 OG1 THR A 10 -8.883 0.467 -3.313 1.00 0.00 O ATOM 145 CG2 THR A 10 -8.552 2.605 -4.208 1.00 0.00 C ATOM 0 H THR A 10 -10.529 0.571 -1.458 1.00 0.00 H new ATOM 0 HA THR A 10 -8.355 2.259 -1.439 1.00 0.00 H new ATOM 0 HB THR A 10 -10.452 1.833 -3.577 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.902 0.142 -4.237 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.619 2.194 -5.215 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.907 3.635 -4.212 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.515 2.580 -3.874 1.00 0.00 H new ATOM 153 N GLY A 11 -8.957 4.693 -1.731 1.00 0.00 N ATOM 154 CA GLY A 11 -9.221 6.125 -1.563 1.00 0.00 C ATOM 155 C GLY A 11 -8.879 6.673 -0.172 1.00 0.00 C ATOM 156 O GLY A 11 -8.909 7.890 0.021 1.00 0.00 O ATOM 0 H GLY A 11 -7.964 4.489 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.649 6.677 -2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.275 6.314 -1.766 1.00 0.00 H new ATOM 160 N ASP A 12 -8.558 5.813 0.804 1.00 0.00 N ATOM 161 CA ASP A 12 -8.169 6.252 2.152 1.00 0.00 C ATOM 162 C ASP A 12 -6.794 6.942 2.169 1.00 0.00 C ATOM 163 O ASP A 12 -5.897 6.595 1.390 1.00 0.00 O ATOM 164 CB ASP A 12 -8.162 5.065 3.134 1.00 0.00 C ATOM 165 CG ASP A 12 -8.494 5.497 4.577 1.00 0.00 C ATOM 166 OD1 ASP A 12 -9.403 6.339 4.771 1.00 0.00 O ATOM 167 OD2 ASP A 12 -7.851 4.988 5.524 1.00 0.00 O ATOM 0 H ASP A 12 -8.560 4.800 0.683 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.914 6.982 2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.886 4.320 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.182 4.588 3.116 1.00 0.00 H new ATOM 172 N LYS A 13 -6.602 7.879 3.106 1.00 0.00 N ATOM 173 CA LYS A 13 -5.344 8.608 3.321 1.00 0.00 C ATOM 174 C LYS A 13 -4.974 8.614 4.808 1.00 0.00 C ATOM 175 O LYS A 13 -5.790 8.988 5.653 1.00 0.00 O ATOM 176 CB LYS A 13 -5.481 10.040 2.766 1.00 0.00 C ATOM 177 CG LYS A 13 -4.148 10.547 2.200 1.00 0.00 C ATOM 178 CD LYS A 13 -4.199 12.047 1.850 1.00 0.00 C ATOM 179 CE LYS A 13 -3.357 12.905 2.806 1.00 0.00 C ATOM 180 NZ LYS A 13 -1.902 12.788 2.520 1.00 0.00 N ATOM 0 H LYS A 13 -7.338 8.159 3.754 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.536 8.107 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.241 10.059 1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.821 10.708 3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.356 10.372 2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.893 9.976 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.843 12.191 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.234 12.388 1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.661 13.948 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.551 12.599 3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.368 13.382 3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.606 11.797 2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.713 13.104 1.547 1.00 0.00 H new ATOM 194 N ALA A 14 -3.748 8.204 5.124 1.00 0.00 N ATOM 195 CA ALA A 14 -3.199 8.183 6.483 1.00 0.00 C ATOM 196 C ALA A 14 -1.659 8.238 6.459 1.00 0.00 C ATOM 197 O ALA A 14 -1.032 8.141 5.401 1.00 0.00 O ATOM 198 CB ALA A 14 -3.699 6.925 7.212 1.00 0.00 C ATOM 0 H ALA A 14 -3.088 7.867 4.423 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.543 9.066 7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.293 6.905 8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.788 6.940 7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.371 6.037 6.672 1.00 0.00 H new ATOM 204 N VAL A 15 -1.044 8.359 7.635 1.00 0.00 N ATOM 205 CA VAL A 15 0.409 8.440 7.816 1.00 0.00 C ATOM 206 C VAL A 15 0.963 7.025 8.024 1.00 0.00 C ATOM 207 O VAL A 15 0.846 6.449 9.107 1.00 0.00 O ATOM 208 CB VAL A 15 0.744 9.375 8.997 1.00 0.00 C ATOM 209 CG1 VAL A 15 2.240 9.668 9.140 1.00 0.00 C ATOM 210 CG2 VAL A 15 0.031 10.730 8.847 1.00 0.00 C ATOM 0 H VAL A 15 -1.556 8.405 8.516 1.00 0.00 H new ATOM 0 HA VAL A 15 0.880 8.864 6.929 1.00 0.00 H new ATOM 0 HB VAL A 15 0.403 8.839 9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.401 10.331 9.990 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.780 8.735 9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.605 10.147 8.232 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.284 11.370 9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.350 11.209 7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.047 10.573 8.821 1.00 0.00 H new ATOM 220 N TYR A 16 1.531 6.430 6.973 1.00 0.00 N ATOM 221 CA TYR A 16 2.180 5.114 7.059 1.00 0.00 C ATOM 222 C TYR A 16 3.599 5.214 7.682 1.00 0.00 C ATOM 223 O TYR A 16 4.221 6.281 7.614 1.00 0.00 O ATOM 224 CB TYR A 16 2.180 4.451 5.667 1.00 0.00 C ATOM 225 CG TYR A 16 3.450 4.629 4.853 1.00 0.00 C ATOM 226 CD1 TYR A 16 4.486 3.684 4.983 1.00 0.00 C ATOM 227 CD2 TYR A 16 3.604 5.725 3.979 1.00 0.00 C ATOM 228 CE1 TYR A 16 5.679 3.830 4.253 1.00 0.00 C ATOM 229 CE2 TYR A 16 4.795 5.869 3.237 1.00 0.00 C ATOM 230 CZ TYR A 16 5.834 4.923 3.375 1.00 0.00 C ATOM 231 OH TYR A 16 6.987 5.075 2.670 1.00 0.00 O ATOM 0 H TYR A 16 1.556 6.842 6.040 1.00 0.00 H new ATOM 0 HA TYR A 16 1.611 4.475 7.734 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.998 3.384 5.793 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.344 4.852 5.094 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.363 2.842 5.648 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.812 6.452 3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.474 3.108 4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.912 6.704 2.562 1.00 0.00 H new ATOM 0 HH TYR A 16 6.796 5.533 1.825 1.00 0.00 H new ATOM 241 N PRO A 17 4.147 4.123 8.260 1.00 0.00 N ATOM 242 CA PRO A 17 5.481 4.093 8.868 1.00 0.00 C ATOM 243 C PRO A 17 6.605 4.120 7.812 1.00 0.00 C ATOM 244 O PRO A 17 7.108 3.080 7.377 1.00 0.00 O ATOM 245 CB PRO A 17 5.495 2.831 9.743 1.00 0.00 C ATOM 246 CG PRO A 17 4.534 1.890 9.021 1.00 0.00 C ATOM 247 CD PRO A 17 3.473 2.854 8.493 1.00 0.00 C ATOM 0 HA PRO A 17 5.676 4.982 9.468 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.495 2.404 9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.163 3.043 10.759 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.026 1.345 8.215 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.109 1.146 9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.029 2.476 7.572 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.663 2.971 9.213 1.00 0.00 H new ATOM 255 N GLY A 18 7.015 5.324 7.404 1.00 0.00 N ATOM 256 CA GLY A 18 8.140 5.550 6.487 1.00 0.00 C ATOM 257 C GLY A 18 8.270 7.003 6.021 1.00 0.00 C ATOM 258 O GLY A 18 9.318 7.624 6.211 1.00 0.00 O ATOM 0 H GLY A 18 6.566 6.188 7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.065 5.251 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.022 4.907 5.615 1.00 0.00 H new ATOM 262 N GLN A 19 7.206 7.550 5.425 1.00 0.00 N ATOM 263 CA GLN A 19 7.153 8.929 4.897 1.00 0.00 C ATOM 264 C GLN A 19 5.960 9.719 5.449 1.00 0.00 C ATOM 265 O GLN A 19 6.089 10.900 5.774 1.00 0.00 O ATOM 266 CB GLN A 19 7.051 8.920 3.359 1.00 0.00 C ATOM 267 CG GLN A 19 8.156 8.160 2.603 1.00 0.00 C ATOM 268 CD GLN A 19 9.192 9.072 1.945 1.00 0.00 C ATOM 269 OE1 GLN A 19 9.447 9.004 0.750 1.00 0.00 O ATOM 270 NE2 GLN A 19 9.837 9.955 2.676 1.00 0.00 N ATOM 0 H GLN A 19 6.334 7.039 5.290 1.00 0.00 H new ATOM 0 HA GLN A 19 8.076 9.413 5.217 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.089 8.488 3.083 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.048 9.953 3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.664 7.490 3.297 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.696 7.536 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.642 10.031 3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.532 10.564 2.245 1.00 0.00 H new ATOM 279 N GLY A 20 4.787 9.082 5.521 1.00 0.00 N ATOM 280 CA GLY A 20 3.529 9.698 5.949 1.00 0.00 C ATOM 281 C GLY A 20 2.670 10.298 4.829 1.00 0.00 C ATOM 282 O GLY A 20 1.511 10.635 5.070 1.00 0.00 O ATOM 0 H GLY A 20 4.685 8.097 5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.938 8.947 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.757 10.484 6.669 1.00 0.00 H new ATOM 286 N VAL A 21 3.208 10.416 3.611 1.00 0.00 N ATOM 287 CA VAL A 21 2.501 10.907 2.415 1.00 0.00 C ATOM 288 C VAL A 21 2.186 9.743 1.471 1.00 0.00 C ATOM 289 O VAL A 21 3.082 9.028 1.024 1.00 0.00 O ATOM 290 CB VAL A 21 3.301 12.011 1.691 1.00 0.00 C ATOM 291 CG1 VAL A 21 2.504 12.597 0.514 1.00 0.00 C ATOM 292 CG2 VAL A 21 3.632 13.168 2.642 1.00 0.00 C ATOM 0 H VAL A 21 4.178 10.165 3.420 1.00 0.00 H new ATOM 0 HA VAL A 21 1.562 11.355 2.739 1.00 0.00 H new ATOM 0 HB VAL A 21 4.217 11.542 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.094 13.372 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.278 11.807 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.574 13.029 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.196 13.931 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.707 13.601 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.228 12.795 3.475 1.00 0.00 H new ATOM 302 N GLY A 22 0.904 9.591 1.141 1.00 0.00 N ATOM 303 CA GLY A 22 0.369 8.611 0.197 1.00 0.00 C ATOM 304 C GLY A 22 -1.132 8.378 0.401 1.00 0.00 C ATOM 305 O GLY A 22 -1.617 8.375 1.533 1.00 0.00 O ATOM 0 H GLY A 22 0.174 10.178 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.547 8.954 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.902 7.667 0.313 1.00 0.00 H new ATOM 309 N GLU A 23 -1.870 8.168 -0.689 1.00 0.00 N ATOM 310 CA GLU A 23 -3.302 7.824 -0.686 1.00 0.00 C ATOM 311 C GLU A 23 -3.478 6.479 -1.406 1.00 0.00 C ATOM 312 O GLU A 23 -2.917 6.283 -2.490 1.00 0.00 O ATOM 313 CB GLU A 23 -4.130 8.918 -1.382 1.00 0.00 C ATOM 314 CG GLU A 23 -5.634 8.725 -1.143 1.00 0.00 C ATOM 315 CD GLU A 23 -6.465 9.727 -1.964 1.00 0.00 C ATOM 316 OE1 GLU A 23 -6.675 10.876 -1.502 1.00 0.00 O ATOM 317 OE2 GLU A 23 -6.911 9.375 -3.084 1.00 0.00 O ATOM 0 H GLU A 23 -1.481 8.233 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.658 7.747 0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.825 9.897 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.926 8.904 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.919 7.708 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.855 8.849 -0.083 1.00 0.00 H new ATOM 324 N VAL A 24 -4.206 5.531 -0.803 1.00 0.00 N ATOM 325 CA VAL A 24 -4.405 4.185 -1.366 1.00 0.00 C ATOM 326 C VAL A 24 -5.107 4.297 -2.723 1.00 0.00 C ATOM 327 O VAL A 24 -6.295 4.613 -2.783 1.00 0.00 O ATOM 328 CB VAL A 24 -5.205 3.273 -0.409 1.00 0.00 C ATOM 329 CG1 VAL A 24 -5.262 1.843 -0.960 1.00 0.00 C ATOM 330 CG2 VAL A 24 -4.574 3.211 0.990 1.00 0.00 C ATOM 0 H VAL A 24 -4.676 5.674 0.091 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.427 3.723 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.204 3.702 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.829 1.212 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.748 1.848 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.250 1.451 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.169 2.559 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.560 2.818 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.544 4.212 1.420 1.00 0.00 H new ATOM 340 N MET A 25 -4.374 4.059 -3.814 1.00 0.00 N ATOM 341 CA MET A 25 -4.867 4.172 -5.195 1.00 0.00 C ATOM 342 C MET A 25 -5.506 2.863 -5.690 1.00 0.00 C ATOM 343 O MET A 25 -6.295 2.865 -6.636 1.00 0.00 O ATOM 344 CB MET A 25 -3.705 4.601 -6.113 1.00 0.00 C ATOM 345 CG MET A 25 -4.094 5.729 -7.082 1.00 0.00 C ATOM 346 SD MET A 25 -5.207 5.300 -8.447 1.00 0.00 S ATOM 347 CE MET A 25 -6.685 6.222 -7.943 1.00 0.00 C ATOM 0 H MET A 25 -3.396 3.775 -3.763 1.00 0.00 H new ATOM 0 HA MET A 25 -5.651 4.928 -5.220 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.866 4.929 -5.499 1.00 0.00 H new ATOM 0 HB3 MET A 25 -3.363 3.739 -6.685 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.561 6.526 -6.503 1.00 0.00 H new ATOM 0 HG3 MET A 25 -3.178 6.139 -7.508 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.477 6.070 -8.677 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.020 5.867 -6.968 1.00 0.00 H new ATOM 0 HE3 MET A 25 -6.448 7.284 -7.881 1.00 0.00 H new ATOM 357 N GLY A 26 -5.209 1.745 -5.023 1.00 0.00 N ATOM 358 CA GLY A 26 -5.792 0.434 -5.293 1.00 0.00 C ATOM 359 C GLY A 26 -5.105 -0.692 -4.523 1.00 0.00 C ATOM 360 O GLY A 26 -4.261 -0.465 -3.651 1.00 0.00 O ATOM 0 H GLY A 26 -4.535 1.730 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.850 0.452 -5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.730 0.227 -6.361 1.00 0.00 H new ATOM 364 N ILE A 27 -5.481 -1.924 -4.853 1.00 0.00 N ATOM 365 CA ILE A 27 -4.895 -3.164 -4.333 1.00 0.00 C ATOM 366 C ILE A 27 -4.315 -3.930 -5.530 1.00 0.00 C ATOM 367 O ILE A 27 -4.886 -3.932 -6.624 1.00 0.00 O ATOM 368 CB ILE A 27 -5.934 -3.988 -3.532 1.00 0.00 C ATOM 369 CG1 ILE A 27 -6.288 -3.359 -2.165 1.00 0.00 C ATOM 370 CG2 ILE A 27 -5.411 -5.398 -3.207 1.00 0.00 C ATOM 371 CD1 ILE A 27 -7.127 -2.079 -2.215 1.00 0.00 C ATOM 0 H ILE A 27 -6.234 -2.097 -5.518 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.097 -2.950 -3.622 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.810 -4.013 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.826 -4.100 -1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.360 -3.142 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.167 -5.946 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.193 -5.928 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.501 -5.320 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.315 -1.727 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.588 -1.312 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.077 -2.285 -2.709 1.00 0.00 H new ATOM 383 N GLU A 28 -3.178 -4.586 -5.321 1.00 0.00 N ATOM 384 CA GLU A 28 -2.476 -5.412 -6.308 1.00 0.00 C ATOM 385 C GLU A 28 -2.524 -6.894 -5.902 1.00 0.00 C ATOM 386 O GLU A 28 -2.428 -7.238 -4.721 1.00 0.00 O ATOM 387 CB GLU A 28 -1.025 -4.910 -6.481 1.00 0.00 C ATOM 388 CG GLU A 28 -0.704 -4.445 -7.907 1.00 0.00 C ATOM 389 CD GLU A 28 -0.525 -5.642 -8.861 1.00 0.00 C ATOM 390 OE1 GLU A 28 -1.528 -6.342 -9.144 1.00 0.00 O ATOM 391 OE2 GLU A 28 0.615 -5.895 -9.318 1.00 0.00 O ATOM 0 H GLU A 28 -2.697 -4.558 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.977 -5.324 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.850 -4.085 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.337 -5.709 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.506 -3.804 -8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.206 -3.844 -7.900 1.00 0.00 H new ATOM 398 N HIS A 29 -2.675 -7.782 -6.885 1.00 0.00 N ATOM 399 CA HIS A 29 -2.785 -9.233 -6.696 1.00 0.00 C ATOM 400 C HIS A 29 -1.960 -9.972 -7.755 1.00 0.00 C ATOM 401 O HIS A 29 -2.279 -9.918 -8.945 1.00 0.00 O ATOM 402 CB HIS A 29 -4.264 -9.658 -6.736 1.00 0.00 C ATOM 403 CG HIS A 29 -5.125 -9.106 -5.622 1.00 0.00 C ATOM 404 ND1 HIS A 29 -4.989 -9.369 -4.270 1.00 0.00 N ATOM 405 CD2 HIS A 29 -6.242 -8.335 -5.791 1.00 0.00 C ATOM 406 CE1 HIS A 29 -6.017 -8.780 -3.630 1.00 0.00 C ATOM 407 NE2 HIS A 29 -6.795 -8.148 -4.535 1.00 0.00 N ATOM 0 H HIS A 29 -2.726 -7.505 -7.865 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.383 -9.499 -5.718 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.689 -9.346 -7.690 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.313 -10.746 -6.706 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.620 -7.946 -6.725 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.191 -8.808 -2.565 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.645 -7.623 -4.329 1.00 0.00 H new ATOM 416 N THR A 30 -0.904 -10.663 -7.327 1.00 0.00 N ATOM 417 CA THR A 30 0.005 -11.423 -8.200 1.00 0.00 C ATOM 418 C THR A 30 0.444 -12.744 -7.547 1.00 0.00 C ATOM 419 O THR A 30 -0.006 -13.108 -6.458 1.00 0.00 O ATOM 420 CB THR A 30 1.179 -10.523 -8.641 1.00 0.00 C ATOM 421 OG1 THR A 30 1.928 -11.137 -9.671 1.00 0.00 O ATOM 422 CG2 THR A 30 2.133 -10.157 -7.503 1.00 0.00 C ATOM 0 H THR A 30 -0.646 -10.714 -6.341 1.00 0.00 H new ATOM 0 HA THR A 30 -0.525 -11.720 -9.105 1.00 0.00 H new ATOM 0 HB THR A 30 0.715 -9.603 -8.997 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.665 -10.548 -9.935 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.932 -9.524 -7.888 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.586 -9.620 -6.728 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.562 -11.066 -7.081 1.00 0.00 H new ATOM 430 N GLU A 31 1.303 -13.499 -8.225 1.00 0.00 N ATOM 431 CA GLU A 31 1.863 -14.776 -7.783 1.00 0.00 C ATOM 432 C GLU A 31 3.392 -14.752 -7.959 1.00 0.00 C ATOM 433 O GLU A 31 3.897 -14.783 -9.085 1.00 0.00 O ATOM 434 CB GLU A 31 1.184 -15.922 -8.554 1.00 0.00 C ATOM 435 CG GLU A 31 1.530 -17.298 -7.971 1.00 0.00 C ATOM 436 CD GLU A 31 0.996 -18.448 -8.846 1.00 0.00 C ATOM 437 OE1 GLU A 31 1.510 -18.648 -9.974 1.00 0.00 O ATOM 438 OE2 GLU A 31 0.076 -19.177 -8.404 1.00 0.00 O ATOM 0 H GLU A 31 1.646 -13.224 -9.145 1.00 0.00 H new ATOM 0 HA GLU A 31 1.667 -14.942 -6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.103 -15.782 -8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.490 -15.885 -9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.612 -17.389 -7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.112 -17.382 -6.968 1.00 0.00 H new ATOM 445 N VAL A 32 4.132 -14.677 -6.849 1.00 0.00 N ATOM 446 CA VAL A 32 5.609 -14.698 -6.811 1.00 0.00 C ATOM 447 C VAL A 32 6.113 -16.000 -6.185 1.00 0.00 C ATOM 448 O VAL A 32 5.457 -16.569 -5.316 1.00 0.00 O ATOM 449 CB VAL A 32 6.198 -13.485 -6.061 1.00 0.00 C ATOM 450 CG1 VAL A 32 5.936 -12.172 -6.809 1.00 0.00 C ATOM 451 CG2 VAL A 32 5.688 -13.321 -4.626 1.00 0.00 C ATOM 0 H VAL A 32 3.714 -14.598 -5.922 1.00 0.00 H new ATOM 0 HA VAL A 32 5.952 -14.638 -7.844 1.00 0.00 H new ATOM 0 HB VAL A 32 7.266 -13.699 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.366 -11.342 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.394 -12.219 -7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.862 -12.021 -6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.152 -12.445 -4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.606 -13.193 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.943 -14.208 -4.046 1.00 0.00 H new ATOM 461 N ALA A 33 7.280 -16.493 -6.615 1.00 0.00 N ATOM 462 CA ALA A 33 7.864 -17.769 -6.168 1.00 0.00 C ATOM 463 C ALA A 33 6.892 -18.984 -6.210 1.00 0.00 C ATOM 464 O ALA A 33 7.041 -19.940 -5.443 1.00 0.00 O ATOM 465 CB ALA A 33 8.498 -17.538 -4.783 1.00 0.00 C ATOM 0 H ALA A 33 7.860 -16.007 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 33 8.631 -18.066 -6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.940 -18.468 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.272 -16.775 -4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.731 -17.208 -4.082 1.00 0.00 H new ATOM 471 N GLY A 34 5.886 -18.958 -7.096 1.00 0.00 N ATOM 472 CA GLY A 34 4.824 -19.974 -7.192 1.00 0.00 C ATOM 473 C GLY A 34 3.732 -19.885 -6.111 1.00 0.00 C ATOM 474 O GLY A 34 2.968 -20.838 -5.939 1.00 0.00 O ATOM 0 H GLY A 34 5.784 -18.212 -7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.351 -19.891 -8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.283 -20.962 -7.142 1.00 0.00 H new ATOM 478 N GLN A 35 3.645 -18.767 -5.381 1.00 0.00 N ATOM 479 CA GLN A 35 2.702 -18.505 -4.287 1.00 0.00 C ATOM 480 C GLN A 35 1.957 -17.173 -4.482 1.00 0.00 C ATOM 481 O GLN A 35 2.555 -16.140 -4.794 1.00 0.00 O ATOM 482 CB GLN A 35 3.460 -18.492 -2.941 1.00 0.00 C ATOM 483 CG GLN A 35 2.977 -19.601 -1.996 1.00 0.00 C ATOM 484 CD GLN A 35 3.516 -19.403 -0.581 1.00 0.00 C ATOM 485 OE1 GLN A 35 4.501 -20.000 -0.164 1.00 0.00 O ATOM 486 NE2 GLN A 35 2.893 -18.557 0.217 1.00 0.00 N ATOM 0 H GLN A 35 4.266 -17.975 -5.547 1.00 0.00 H new ATOM 0 HA GLN A 35 1.959 -19.302 -4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.527 -18.613 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.327 -17.523 -2.460 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.887 -19.612 -1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.298 -20.571 -2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.071 -18.053 -0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.233 -18.407 1.167 1.00 0.00 H new ATOM 495 N ARG A 36 0.634 -17.183 -4.280 1.00 0.00 N ATOM 496 CA ARG A 36 -0.230 -15.988 -4.315 1.00 0.00 C ATOM 497 C ARG A 36 0.199 -14.994 -3.230 1.00 0.00 C ATOM 498 O ARG A 36 0.167 -15.322 -2.041 1.00 0.00 O ATOM 499 CB ARG A 36 -1.697 -16.417 -4.150 1.00 0.00 C ATOM 500 CG ARG A 36 -2.274 -16.993 -5.457 1.00 0.00 C ATOM 501 CD ARG A 36 -3.459 -17.935 -5.191 1.00 0.00 C ATOM 502 NE ARG A 36 -4.622 -17.649 -6.056 1.00 0.00 N ATOM 503 CZ ARG A 36 -5.711 -18.387 -6.182 1.00 0.00 C ATOM 504 NH1 ARG A 36 -5.836 -19.543 -5.592 1.00 0.00 N ATOM 505 NH2 ARG A 36 -6.711 -17.973 -6.906 1.00 0.00 N ATOM 0 H ARG A 36 0.118 -18.041 -4.083 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.129 -15.483 -5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.771 -17.164 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.293 -15.560 -3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.597 -16.176 -6.103 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.493 -17.533 -5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.140 -18.966 -5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.759 -17.849 -4.147 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.580 -16.795 -6.612 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.079 -19.904 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.691 -20.087 -5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.658 -17.072 -7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.548 -18.549 -6.997 1.00 0.00 H new ATOM 519 N GLN A 37 0.609 -13.795 -3.641 1.00 0.00 N ATOM 520 CA GLN A 37 1.026 -12.696 -2.765 1.00 0.00 C ATOM 521 C GLN A 37 0.318 -11.400 -3.180 1.00 0.00 C ATOM 522 O GLN A 37 0.455 -10.916 -4.307 1.00 0.00 O ATOM 523 CB GLN A 37 2.563 -12.533 -2.757 1.00 0.00 C ATOM 524 CG GLN A 37 3.171 -12.703 -1.350 1.00 0.00 C ATOM 525 CD GLN A 37 4.521 -12.001 -1.157 1.00 0.00 C ATOM 526 OE1 GLN A 37 5.202 -11.569 -2.074 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.966 -11.838 0.069 1.00 0.00 N ATOM 0 H GLN A 37 0.663 -13.551 -4.630 1.00 0.00 H new ATOM 0 HA GLN A 37 0.732 -12.934 -1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.006 -13.266 -3.431 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.822 -11.547 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.466 -12.318 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.295 -13.767 -1.147 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.423 -12.186 0.859 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.854 -11.363 0.230 1.00 0.00 H new ATOM 536 N SER A 38 -0.478 -10.858 -2.262 1.00 0.00 N ATOM 537 CA SER A 38 -1.164 -9.572 -2.417 1.00 0.00 C ATOM 538 C SER A 38 -0.277 -8.397 -1.992 1.00 0.00 C ATOM 539 O SER A 38 0.628 -8.537 -1.162 1.00 0.00 O ATOM 540 CB SER A 38 -2.443 -9.602 -1.584 1.00 0.00 C ATOM 541 OG SER A 38 -3.378 -10.475 -2.201 1.00 0.00 O ATOM 0 H SER A 38 -0.670 -11.309 -1.368 1.00 0.00 H new ATOM 0 HA SER A 38 -1.401 -9.424 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.224 -9.940 -0.571 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.862 -8.599 -1.502 1.00 0.00 H new ATOM 0 HG SER A 38 -3.794 -10.022 -2.964 1.00 0.00 H new ATOM 547 N PHE A 39 -0.563 -7.216 -2.538 1.00 0.00 N ATOM 548 CA PHE A 39 0.136 -5.961 -2.262 1.00 0.00 C ATOM 549 C PHE A 39 -0.846 -4.776 -2.248 1.00 0.00 C ATOM 550 O PHE A 39 -1.950 -4.853 -2.786 1.00 0.00 O ATOM 551 CB PHE A 39 1.208 -5.712 -3.346 1.00 0.00 C ATOM 552 CG PHE A 39 2.318 -6.744 -3.481 1.00 0.00 C ATOM 553 CD1 PHE A 39 2.098 -7.953 -4.171 1.00 0.00 C ATOM 554 CD2 PHE A 39 3.600 -6.471 -2.966 1.00 0.00 C ATOM 555 CE1 PHE A 39 3.130 -8.901 -4.290 1.00 0.00 C ATOM 556 CE2 PHE A 39 4.634 -7.414 -3.096 1.00 0.00 C ATOM 557 CZ PHE A 39 4.397 -8.635 -3.747 1.00 0.00 C ATOM 0 H PHE A 39 -1.319 -7.102 -3.213 1.00 0.00 H new ATOM 0 HA PHE A 39 0.605 -6.042 -1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.702 -5.633 -4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.669 -4.745 -3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.132 -8.153 -4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.790 -5.532 -2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.947 -9.835 -4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.613 -7.199 -2.694 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.187 -9.367 -3.830 1.00 0.00 H new ATOM 567 N TYR A 40 -0.434 -3.654 -1.669 1.00 0.00 N ATOM 568 CA TYR A 40 -1.175 -2.391 -1.645 1.00 0.00 C ATOM 569 C TYR A 40 -0.542 -1.419 -2.652 1.00 0.00 C ATOM 570 O TYR A 40 0.681 -1.244 -2.666 1.00 0.00 O ATOM 571 CB TYR A 40 -1.190 -1.817 -0.218 1.00 0.00 C ATOM 572 CG TYR A 40 -2.409 -2.222 0.578 1.00 0.00 C ATOM 573 CD1 TYR A 40 -3.637 -1.580 0.335 1.00 0.00 C ATOM 574 CD2 TYR A 40 -2.319 -3.242 1.544 1.00 0.00 C ATOM 575 CE1 TYR A 40 -4.789 -1.978 1.037 1.00 0.00 C ATOM 576 CE2 TYR A 40 -3.468 -3.644 2.252 1.00 0.00 C ATOM 577 CZ TYR A 40 -4.709 -3.017 1.994 1.00 0.00 C ATOM 578 OH TYR A 40 -5.824 -3.413 2.667 1.00 0.00 O ATOM 0 H TYR A 40 0.461 -3.593 -1.183 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.212 -2.555 -1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.295 -2.148 0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.145 -0.729 -0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.695 -0.782 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.369 -3.716 1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.734 -1.491 0.846 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.402 -4.429 2.990 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.593 -4.137 3.285 1.00 0.00 H new ATOM 588 N VAL A 41 -1.365 -0.799 -3.505 1.00 0.00 N ATOM 589 CA VAL A 41 -0.945 0.235 -4.465 1.00 0.00 C ATOM 590 C VAL A 41 -1.081 1.600 -3.791 1.00 0.00 C ATOM 591 O VAL A 41 -2.176 2.165 -3.714 1.00 0.00 O ATOM 592 CB VAL A 41 -1.765 0.184 -5.775 1.00 0.00 C ATOM 593 CG1 VAL A 41 -1.215 1.168 -6.815 1.00 0.00 C ATOM 594 CG2 VAL A 41 -1.766 -1.212 -6.407 1.00 0.00 C ATOM 0 H VAL A 41 -2.363 -1.004 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 41 0.092 0.054 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.783 0.455 -5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.813 1.108 -7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.261 2.182 -6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.180 0.915 -7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.355 -1.196 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.743 -1.507 -6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.201 -1.927 -5.709 1.00 0.00 H new ATOM 604 N LEU A 42 0.036 2.141 -3.301 1.00 0.00 N ATOM 605 CA LEU A 42 0.088 3.440 -2.635 1.00 0.00 C ATOM 606 C LEU A 42 0.780 4.472 -3.538 1.00 0.00 C ATOM 607 O LEU A 42 1.972 4.353 -3.843 1.00 0.00 O ATOM 608 CB LEU A 42 0.767 3.269 -1.258 1.00 0.00 C ATOM 609 CG LEU A 42 0.670 4.503 -0.339 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.783 4.900 -0.098 1.00 0.00 C ATOM 611 CD2 LEU A 42 1.273 4.217 1.031 1.00 0.00 C ATOM 0 H LEU A 42 0.944 1.680 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.916 3.825 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.317 2.416 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.819 3.029 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 42 1.212 5.302 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.818 5.773 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.258 5.138 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.313 4.073 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.190 5.105 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.737 3.391 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.324 3.950 0.917 1.00 0.00 H new ATOM 623 N ARG A 43 0.021 5.478 -3.990 1.00 0.00 N ATOM 624 CA ARG A 43 0.535 6.610 -4.776 1.00 0.00 C ATOM 625 C ARG A 43 0.939 7.750 -3.848 1.00 0.00 C ATOM 626 O ARG A 43 0.132 8.245 -3.062 1.00 0.00 O ATOM 627 CB ARG A 43 -0.486 7.072 -5.830 1.00 0.00 C ATOM 628 CG ARG A 43 -0.218 6.453 -7.219 1.00 0.00 C ATOM 629 CD ARG A 43 0.289 7.488 -8.238 1.00 0.00 C ATOM 630 NE ARG A 43 -0.073 7.129 -9.626 1.00 0.00 N ATOM 631 CZ ARG A 43 -1.238 7.324 -10.222 1.00 0.00 C ATOM 632 NH1 ARG A 43 -2.249 7.876 -9.610 1.00 0.00 N ATOM 633 NH2 ARG A 43 -1.420 6.967 -11.461 1.00 0.00 N ATOM 0 H ARG A 43 -0.983 5.531 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 43 1.421 6.280 -5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.490 6.802 -5.502 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.458 8.159 -5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.517 5.654 -7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.135 5.998 -7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.127 8.466 -7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.373 7.574 -8.158 1.00 0.00 H new ATOM 0 HE ARG A 43 0.654 6.683 -10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.157 8.174 -8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.132 8.010 -10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.660 6.532 -11.983 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.323 7.123 -11.909 1.00 0.00 H new ATOM 647 N ILE A 44 2.207 8.138 -3.937 1.00 0.00 N ATOM 648 CA ILE A 44 2.846 9.210 -3.169 1.00 0.00 C ATOM 649 C ILE A 44 2.437 10.568 -3.761 1.00 0.00 C ATOM 650 O ILE A 44 2.963 10.989 -4.792 1.00 0.00 O ATOM 651 CB ILE A 44 4.383 9.026 -3.161 1.00 0.00 C ATOM 652 CG1 ILE A 44 4.836 7.583 -2.824 1.00 0.00 C ATOM 653 CG2 ILE A 44 5.074 10.045 -2.232 1.00 0.00 C ATOM 654 CD1 ILE A 44 4.292 7.003 -1.507 1.00 0.00 C ATOM 0 H ILE A 44 2.856 7.689 -4.583 1.00 0.00 H new ATOM 0 HA ILE A 44 2.513 9.172 -2.132 1.00 0.00 H new ATOM 0 HB ILE A 44 4.701 9.217 -4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.534 6.927 -3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.925 7.563 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.152 9.884 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.851 11.056 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.708 9.916 -1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.672 5.990 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.615 7.627 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.203 6.980 -1.542 1.00 0.00 H new ATOM 666 N LEU A 45 1.504 11.262 -3.101 1.00 0.00 N ATOM 667 CA LEU A 45 0.984 12.584 -3.499 1.00 0.00 C ATOM 668 C LEU A 45 2.061 13.681 -3.659 1.00 0.00 C ATOM 669 O LEU A 45 1.804 14.703 -4.295 1.00 0.00 O ATOM 670 CB LEU A 45 -0.090 13.038 -2.482 1.00 0.00 C ATOM 671 CG LEU A 45 -1.536 12.706 -2.894 1.00 0.00 C ATOM 672 CD1 LEU A 45 -1.813 11.202 -2.888 1.00 0.00 C ATOM 673 CD2 LEU A 45 -2.542 13.395 -1.959 1.00 0.00 C ATOM 0 H LEU A 45 1.073 10.911 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 45 0.555 12.455 -4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.117 12.570 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.004 14.115 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.656 13.076 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.846 11.021 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.141 10.706 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.650 10.806 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.557 13.146 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.381 13.054 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.403 14.475 -2.007 1.00 0.00 H new ATOM 685 N GLU A 46 3.263 13.474 -3.109 1.00 0.00 N ATOM 686 CA GLU A 46 4.421 14.378 -3.179 1.00 0.00 C ATOM 687 C GLU A 46 4.779 14.754 -4.633 1.00 0.00 C ATOM 688 O GLU A 46 4.830 15.937 -4.976 1.00 0.00 O ATOM 689 CB GLU A 46 5.593 13.710 -2.430 1.00 0.00 C ATOM 690 CG GLU A 46 6.681 14.669 -1.923 1.00 0.00 C ATOM 691 CD GLU A 46 7.600 15.227 -3.029 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.357 14.445 -3.651 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.612 16.464 -3.244 1.00 0.00 O ATOM 0 H GLU A 46 3.467 12.629 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 46 4.180 15.326 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.192 13.160 -1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.056 12.979 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.203 15.503 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.293 14.149 -1.186 1.00 0.00 H new ATOM 700 N ASN A 47 5.003 13.750 -5.490 1.00 0.00 N ATOM 701 CA ASN A 47 5.338 13.891 -6.916 1.00 0.00 C ATOM 702 C ASN A 47 4.547 12.955 -7.860 1.00 0.00 C ATOM 703 O ASN A 47 4.857 12.880 -9.052 1.00 0.00 O ATOM 704 CB ASN A 47 6.864 13.748 -7.085 1.00 0.00 C ATOM 705 CG ASN A 47 7.375 12.341 -6.811 1.00 0.00 C ATOM 706 OD1 ASN A 47 7.231 11.798 -5.726 1.00 0.00 O ATOM 707 ND2 ASN A 47 7.987 11.693 -7.779 1.00 0.00 N ATOM 0 H ASN A 47 4.954 12.774 -5.198 1.00 0.00 H new ATOM 0 HA ASN A 47 5.024 14.887 -7.229 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.138 14.034 -8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.363 14.445 -6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.335 10.748 -7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.113 12.136 -8.689 1.00 0.00 H new ATOM 714 N GLY A 48 3.557 12.214 -7.351 1.00 0.00 N ATOM 715 CA GLY A 48 2.810 11.200 -8.109 1.00 0.00 C ATOM 716 C GLY A 48 3.552 9.865 -8.262 1.00 0.00 C ATOM 717 O GLY A 48 3.272 9.111 -9.197 1.00 0.00 O ATOM 0 H GLY A 48 3.246 12.302 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.856 11.019 -7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.584 11.594 -9.100 1.00 0.00 H new ATOM 721 N MET A 49 4.517 9.574 -7.380 1.00 0.00 N ATOM 722 CA MET A 49 5.270 8.309 -7.370 1.00 0.00 C ATOM 723 C MET A 49 4.388 7.110 -6.986 1.00 0.00 C ATOM 724 O MET A 49 3.294 7.275 -6.446 1.00 0.00 O ATOM 725 CB MET A 49 6.476 8.409 -6.414 1.00 0.00 C ATOM 726 CG MET A 49 7.782 8.020 -7.119 1.00 0.00 C ATOM 727 SD MET A 49 9.302 8.314 -6.172 1.00 0.00 S ATOM 728 CE MET A 49 8.982 7.309 -4.696 1.00 0.00 C ATOM 0 H MET A 49 4.802 10.218 -6.642 1.00 0.00 H new ATOM 0 HA MET A 49 5.627 8.139 -8.386 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.556 9.427 -6.032 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.316 7.758 -5.555 1.00 0.00 H new ATOM 0 HG2 MET A 49 7.734 6.962 -7.376 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.847 8.573 -8.056 1.00 0.00 H new ATOM 0 HE1 MET A 49 9.881 7.270 -4.081 1.00 0.00 H new ATOM 0 HE2 MET A 49 8.169 7.753 -4.123 1.00 0.00 H new ATOM 0 HE3 MET A 49 8.704 6.299 -4.997 1.00 0.00 H new ATOM 738 N ARG A 50 4.887 5.891 -7.216 1.00 0.00 N ATOM 739 CA ARG A 50 4.206 4.621 -6.919 1.00 0.00 C ATOM 740 C ARG A 50 5.120 3.742 -6.060 1.00 0.00 C ATOM 741 O ARG A 50 6.197 3.360 -6.520 1.00 0.00 O ATOM 742 CB ARG A 50 3.804 3.890 -8.221 1.00 0.00 C ATOM 743 CG ARG A 50 3.010 4.708 -9.259 1.00 0.00 C ATOM 744 CD ARG A 50 3.888 5.621 -10.139 1.00 0.00 C ATOM 745 NE ARG A 50 3.538 5.524 -11.571 1.00 0.00 N ATOM 746 CZ ARG A 50 3.961 6.300 -12.555 1.00 0.00 C ATOM 747 NH1 ARG A 50 4.682 7.365 -12.342 1.00 0.00 N ATOM 748 NH2 ARG A 50 3.668 6.015 -13.791 1.00 0.00 N ATOM 0 H ARG A 50 5.810 5.754 -7.629 1.00 0.00 H new ATOM 0 HA ARG A 50 3.290 4.831 -6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.712 3.524 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.211 3.016 -7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.457 4.023 -9.902 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.274 5.320 -8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.778 6.654 -9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.936 5.353 -10.004 1.00 0.00 H new ATOM 0 HE ARG A 50 2.898 4.774 -11.830 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.939 7.625 -11.390 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.989 7.938 -13.128 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.109 5.189 -14.005 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.997 6.618 -14.545 1.00 0.00 H new ATOM 762 N ILE A 51 4.718 3.439 -4.823 1.00 0.00 N ATOM 763 CA ILE A 51 5.460 2.552 -3.908 1.00 0.00 C ATOM 764 C ILE A 51 4.585 1.345 -3.540 1.00 0.00 C ATOM 765 O ILE A 51 3.542 1.495 -2.902 1.00 0.00 O ATOM 766 CB ILE A 51 5.996 3.301 -2.662 1.00 0.00 C ATOM 767 CG1 ILE A 51 6.954 4.445 -3.081 1.00 0.00 C ATOM 768 CG2 ILE A 51 6.696 2.287 -1.734 1.00 0.00 C ATOM 769 CD1 ILE A 51 7.576 5.229 -1.914 1.00 0.00 C ATOM 0 H ILE A 51 3.856 3.805 -4.418 1.00 0.00 H new ATOM 0 HA ILE A 51 6.348 2.187 -4.425 1.00 0.00 H new ATOM 0 HB ILE A 51 5.168 3.760 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.757 4.023 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.408 5.142 -3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.078 2.803 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.982 1.523 -1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.523 1.818 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.230 6.007 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.785 5.686 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.155 4.550 -1.287 1.00 0.00 H new ATOM 781 N MET A 52 4.992 0.147 -3.970 1.00 0.00 N ATOM 782 CA MET A 52 4.317 -1.107 -3.606 1.00 0.00 C ATOM 783 C MET A 52 4.488 -1.405 -2.109 1.00 0.00 C ATOM 784 O MET A 52 5.534 -1.110 -1.522 1.00 0.00 O ATOM 785 CB MET A 52 4.860 -2.312 -4.398 1.00 0.00 C ATOM 786 CG MET A 52 5.132 -2.071 -5.887 1.00 0.00 C ATOM 787 SD MET A 52 6.789 -1.408 -6.233 1.00 0.00 S ATOM 788 CE MET A 52 6.854 -1.666 -8.026 1.00 0.00 C ATOM 0 H MET A 52 5.799 0.017 -4.580 1.00 0.00 H new ATOM 0 HA MET A 52 3.264 -0.967 -3.849 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.787 -2.642 -3.929 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.147 -3.132 -4.307 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.007 -3.010 -6.426 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.385 -1.378 -6.276 1.00 0.00 H new ATOM 0 HE1 MET A 52 7.811 -1.313 -8.410 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.745 -2.728 -8.245 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.045 -1.113 -8.503 1.00 0.00 H new ATOM 798 N ILE A 53 3.492 -2.052 -1.504 1.00 0.00 N ATOM 799 CA ILE A 53 3.487 -2.444 -0.087 1.00 0.00 C ATOM 800 C ILE A 53 3.080 -3.929 0.035 1.00 0.00 C ATOM 801 O ILE A 53 1.907 -4.241 -0.176 1.00 0.00 O ATOM 802 CB ILE A 53 2.585 -1.477 0.716 1.00 0.00 C ATOM 803 CG1 ILE A 53 3.211 -0.066 0.767 1.00 0.00 C ATOM 804 CG2 ILE A 53 2.331 -2.002 2.141 1.00 0.00 C ATOM 805 CD1 ILE A 53 2.372 0.970 1.519 1.00 0.00 C ATOM 0 H ILE A 53 2.642 -2.327 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 53 4.484 -2.362 0.346 1.00 0.00 H new ATOM 0 HB ILE A 53 1.625 -1.416 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.191 -0.133 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.371 0.285 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.694 -1.300 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.838 -2.973 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.281 -2.105 2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.885 1.932 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.400 1.071 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.233 0.646 2.551 1.00 0.00 H new ATOM 817 N PRO A 54 4.005 -4.864 0.334 1.00 0.00 N ATOM 818 CA PRO A 54 3.691 -6.288 0.510 1.00 0.00 C ATOM 819 C PRO A 54 2.883 -6.536 1.791 1.00 0.00 C ATOM 820 O PRO A 54 3.361 -6.219 2.884 1.00 0.00 O ATOM 821 CB PRO A 54 5.051 -6.998 0.569 1.00 0.00 C ATOM 822 CG PRO A 54 6.013 -5.927 1.078 1.00 0.00 C ATOM 823 CD PRO A 54 5.434 -4.634 0.511 1.00 0.00 C ATOM 0 HA PRO A 54 3.071 -6.662 -0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.022 -7.858 1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.350 -7.368 -0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.052 -5.906 2.167 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.030 -6.100 0.726 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.612 -3.799 1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.907 -4.380 -0.438 1.00 0.00 H new ATOM 831 N ILE A 55 1.693 -7.155 1.698 1.00 0.00 N ATOM 832 CA ILE A 55 0.847 -7.420 2.884 1.00 0.00 C ATOM 833 C ILE A 55 1.544 -8.266 3.968 1.00 0.00 C ATOM 834 O ILE A 55 1.150 -8.213 5.133 1.00 0.00 O ATOM 835 CB ILE A 55 -0.541 -8.006 2.542 1.00 0.00 C ATOM 836 CG1 ILE A 55 -0.502 -9.474 2.059 1.00 0.00 C ATOM 837 CG2 ILE A 55 -1.300 -7.103 1.552 1.00 0.00 C ATOM 838 CD1 ILE A 55 -1.895 -10.114 2.018 1.00 0.00 C ATOM 0 H ILE A 55 1.293 -7.482 0.819 1.00 0.00 H new ATOM 0 HA ILE A 55 0.682 -6.429 3.306 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.093 -8.027 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.057 -9.515 1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.142 -10.054 2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.273 -7.542 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.439 -6.116 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.726 -7.011 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.812 -11.144 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.331 -10.100 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.533 -9.553 1.336 1.00 0.00 H new ATOM 850 N ASN A 56 2.611 -8.990 3.604 1.00 0.00 N ATOM 851 CA ASN A 56 3.483 -9.781 4.479 1.00 0.00 C ATOM 852 C ASN A 56 3.998 -8.998 5.705 1.00 0.00 C ATOM 853 O ASN A 56 4.095 -9.567 6.794 1.00 0.00 O ATOM 854 CB ASN A 56 4.667 -10.316 3.641 1.00 0.00 C ATOM 855 CG ASN A 56 4.563 -11.806 3.371 1.00 0.00 C ATOM 856 OD1 ASN A 56 3.711 -12.266 2.625 1.00 0.00 O ATOM 857 ND2 ASN A 56 5.445 -12.605 3.926 1.00 0.00 N ATOM 0 H ASN A 56 2.906 -9.041 2.629 1.00 0.00 H new ATOM 0 HA ASN A 56 2.891 -10.602 4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.708 -9.780 2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.601 -10.109 4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.418 -13.606 3.734 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.157 -12.224 4.549 1.00 0.00 H new ATOM 864 N LYS A 57 4.317 -7.704 5.539 1.00 0.00 N ATOM 865 CA LYS A 57 4.733 -6.806 6.637 1.00 0.00 C ATOM 866 C LYS A 57 3.576 -6.011 7.252 1.00 0.00 C ATOM 867 O LYS A 57 3.653 -5.610 8.413 1.00 0.00 O ATOM 868 CB LYS A 57 5.843 -5.857 6.154 1.00 0.00 C ATOM 869 CG LYS A 57 7.109 -6.636 5.747 1.00 0.00 C ATOM 870 CD LYS A 57 8.419 -5.873 5.996 1.00 0.00 C ATOM 871 CE LYS A 57 8.665 -5.676 7.502 1.00 0.00 C ATOM 872 NZ LYS A 57 10.072 -5.296 7.792 1.00 0.00 N ATOM 0 H LYS A 57 4.294 -7.243 4.629 1.00 0.00 H new ATOM 0 HA LYS A 57 5.115 -7.447 7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.483 -5.275 5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.088 -5.148 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.138 -7.576 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.043 -6.889 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.252 -6.421 5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.379 -4.903 5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.996 -4.903 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.422 -6.597 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.194 -5.173 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.710 -6.044 7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.298 -4.404 7.307 1.00 0.00 H new ATOM 886 N VAL A 58 2.504 -5.798 6.489 1.00 0.00 N ATOM 887 CA VAL A 58 1.305 -5.047 6.892 1.00 0.00 C ATOM 888 C VAL A 58 0.462 -5.816 7.920 1.00 0.00 C ATOM 889 O VAL A 58 0.150 -5.290 8.987 1.00 0.00 O ATOM 890 CB VAL A 58 0.443 -4.698 5.663 1.00 0.00 C ATOM 891 CG1 VAL A 58 -0.667 -3.731 6.040 1.00 0.00 C ATOM 892 CG2 VAL A 58 1.226 -3.989 4.559 1.00 0.00 C ATOM 0 H VAL A 58 2.440 -6.156 5.536 1.00 0.00 H new ATOM 0 HA VAL A 58 1.649 -4.126 7.364 1.00 0.00 H new ATOM 0 HB VAL A 58 0.068 -5.658 5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.263 -3.499 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.304 -4.186 6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.231 -2.813 6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.561 -3.772 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.638 -3.057 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.038 -4.632 4.219 1.00 0.00 H new ATOM 902 N GLY A 59 0.029 -7.035 7.578 1.00 0.00 N ATOM 903 CA GLY A 59 -0.852 -7.910 8.372 1.00 0.00 C ATOM 904 C GLY A 59 -2.327 -7.475 8.514 1.00 0.00 C ATOM 905 O GLY A 59 -3.160 -8.298 8.893 1.00 0.00 O ATOM 0 H GLY A 59 0.296 -7.464 6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.833 -8.904 7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.428 -8.001 9.372 1.00 0.00 H new ATOM 909 N SER A 60 -2.659 -6.216 8.196 1.00 0.00 N ATOM 910 CA SER A 60 -4.010 -5.619 8.175 1.00 0.00 C ATOM 911 C SER A 60 -4.032 -4.371 7.278 1.00 0.00 C ATOM 912 O SER A 60 -4.459 -4.458 6.126 1.00 0.00 O ATOM 913 CB SER A 60 -4.495 -5.272 9.597 1.00 0.00 C ATOM 914 OG SER A 60 -5.275 -6.323 10.139 1.00 0.00 O ATOM 0 H SER A 60 -1.945 -5.538 7.928 1.00 0.00 H new ATOM 0 HA SER A 60 -4.695 -6.359 7.762 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.637 -5.082 10.241 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.083 -4.355 9.571 1.00 0.00 H new ATOM 0 HG SER A 60 -4.863 -7.184 9.917 1.00 0.00 H new ATOM 920 N VAL A 61 -3.532 -3.227 7.776 1.00 0.00 N ATOM 921 CA VAL A 61 -3.412 -1.955 7.023 1.00 0.00 C ATOM 922 C VAL A 61 -2.103 -1.196 7.252 1.00 0.00 C ATOM 923 O VAL A 61 -1.604 -0.580 6.316 1.00 0.00 O ATOM 924 CB VAL A 61 -4.591 -0.997 7.288 1.00 0.00 C ATOM 925 CG1 VAL A 61 -5.881 -1.550 6.685 1.00 0.00 C ATOM 926 CG2 VAL A 61 -4.819 -0.684 8.776 1.00 0.00 C ATOM 0 H VAL A 61 -3.191 -3.154 8.734 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.424 -2.281 5.983 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.316 -0.059 6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.701 -0.859 6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.758 -1.668 5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.106 -2.518 7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.665 -0.004 8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.028 -1.608 9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.926 -0.217 9.191 1.00 0.00 H new ATOM 936 N GLY A 62 -1.527 -1.222 8.462 1.00 0.00 N ATOM 937 CA GLY A 62 -0.291 -0.502 8.822 1.00 0.00 C ATOM 938 C GLY A 62 -0.361 1.037 8.753 1.00 0.00 C ATOM 939 O GLY A 62 0.604 1.709 9.110 1.00 0.00 O ATOM 0 H GLY A 62 -1.915 -1.757 9.239 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.009 -0.788 9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.508 -0.840 8.162 1.00 0.00 H new ATOM 943 N LEU A 63 -1.483 1.607 8.306 1.00 0.00 N ATOM 944 CA LEU A 63 -1.760 3.041 8.199 1.00 0.00 C ATOM 945 C LEU A 63 -2.361 3.583 9.511 1.00 0.00 C ATOM 946 O LEU A 63 -3.134 2.890 10.180 1.00 0.00 O ATOM 947 CB LEU A 63 -2.727 3.260 7.013 1.00 0.00 C ATOM 948 CG LEU A 63 -2.021 3.578 5.679 1.00 0.00 C ATOM 949 CD1 LEU A 63 -1.370 2.349 5.045 1.00 0.00 C ATOM 950 CD2 LEU A 63 -3.027 4.133 4.672 1.00 0.00 C ATOM 0 H LEU A 63 -2.272 1.043 7.989 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.833 3.586 8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.337 2.366 6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.406 4.077 7.257 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.244 4.306 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.889 2.634 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.624 1.940 5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.132 1.595 4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.518 4.354 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.810 3.395 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.472 5.046 5.068 1.00 0.00 H new ATOM 962 N ARG A 64 -2.040 4.837 9.858 1.00 0.00 N ATOM 963 CA ARG A 64 -2.548 5.549 11.047 1.00 0.00 C ATOM 964 C ARG A 64 -2.712 7.044 10.742 1.00 0.00 C ATOM 965 O ARG A 64 -1.752 7.702 10.358 1.00 0.00 O ATOM 966 CB ARG A 64 -1.571 5.295 12.216 1.00 0.00 C ATOM 967 CG ARG A 64 -2.214 5.585 13.581 1.00 0.00 C ATOM 968 CD ARG A 64 -1.188 5.601 14.726 1.00 0.00 C ATOM 969 NE ARG A 64 -1.125 4.330 15.479 1.00 0.00 N ATOM 970 CZ ARG A 64 -0.630 4.169 16.696 1.00 0.00 C ATOM 971 NH1 ARG A 64 -0.042 5.141 17.339 1.00 0.00 N ATOM 972 NH2 ARG A 64 -0.718 3.023 17.306 1.00 0.00 N ATOM 0 H ARG A 64 -1.399 5.405 9.304 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.534 5.178 11.327 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.234 4.259 12.187 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.687 5.921 12.092 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.724 6.548 13.541 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.973 4.831 13.789 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.202 5.821 14.317 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.435 6.410 15.414 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.498 3.500 15.018 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.047 6.059 16.904 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.328 4.982 18.276 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.173 2.234 16.846 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.332 2.913 18.244 1.00 0.00 H new ATOM 986 N GLU A 65 -3.915 7.606 10.841 1.00 0.00 N ATOM 987 CA GLU A 65 -4.165 9.032 10.538 1.00 0.00 C ATOM 988 C GLU A 65 -3.737 9.938 11.719 1.00 0.00 C ATOM 989 O GLU A 65 -4.563 10.457 12.473 1.00 0.00 O ATOM 990 CB GLU A 65 -5.631 9.214 10.090 1.00 0.00 C ATOM 991 CG GLU A 65 -5.934 10.634 9.577 1.00 0.00 C ATOM 992 CD GLU A 65 -7.264 10.735 8.796 1.00 0.00 C ATOM 993 OE1 GLU A 65 -8.229 9.988 9.091 1.00 0.00 O ATOM 994 OE2 GLU A 65 -7.366 11.608 7.898 1.00 0.00 O ATOM 0 H GLU A 65 -4.749 7.095 11.132 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.543 9.354 9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.856 8.494 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.291 8.988 10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.966 11.319 10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.118 10.961 8.933 1.00 0.00 H new ATOM 1001 N ILE A 66 -2.418 10.096 11.896 1.00 0.00 N ATOM 1002 CA ILE A 66 -1.776 10.945 12.923 1.00 0.00 C ATOM 1003 C ILE A 66 -1.442 12.350 12.375 1.00 0.00 C ATOM 1004 O ILE A 66 -1.835 12.714 11.263 1.00 0.00 O ATOM 1005 CB ILE A 66 -0.551 10.237 13.573 1.00 0.00 C ATOM 1006 CG1 ILE A 66 0.723 10.317 12.700 1.00 0.00 C ATOM 1007 CG2 ILE A 66 -0.914 8.793 13.950 1.00 0.00 C ATOM 1008 CD1 ILE A 66 1.837 9.307 13.013 1.00 0.00 C ATOM 0 H ILE A 66 -1.737 9.618 11.306 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.498 11.096 13.725 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.304 10.776 14.488 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.430 10.189 11.658 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.137 11.321 12.794 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.050 8.307 14.404 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.741 8.799 14.660 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.209 8.246 13.054 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.674 9.466 12.333 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.173 9.443 14.041 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.455 8.294 12.887 1.00 0.00 H new ATOM 1020 N ILE A 67 -0.708 13.139 13.164 1.00 0.00 N ATOM 1021 CA ILE A 67 -0.214 14.489 12.827 1.00 0.00 C ATOM 1022 C ILE A 67 1.323 14.596 12.861 1.00 0.00 C ATOM 1023 O ILE A 67 1.909 15.366 12.098 1.00 0.00 O ATOM 1024 CB ILE A 67 -0.909 15.531 13.734 1.00 0.00 C ATOM 1025 CG1 ILE A 67 -0.658 16.987 13.293 1.00 0.00 C ATOM 1026 CG2 ILE A 67 -0.500 15.380 15.212 1.00 0.00 C ATOM 1027 CD1 ILE A 67 -1.187 17.316 11.890 1.00 0.00 C ATOM 0 H ILE A 67 -0.426 12.846 14.099 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.478 14.701 11.791 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.974 15.322 13.629 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.125 17.659 14.013 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.414 17.184 13.321 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.013 16.133 15.810 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.775 14.386 15.566 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.578 15.514 15.307 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.971 18.358 11.655 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.702 16.671 11.158 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.264 17.153 11.860 1.00 0.00 H new ATOM 1039 N SER A 68 1.989 13.800 13.701 1.00 0.00 N ATOM 1040 CA SER A 68 3.446 13.673 13.813 1.00 0.00 C ATOM 1041 C SER A 68 4.094 13.225 12.494 1.00 0.00 C ATOM 1042 O SER A 68 3.746 12.186 11.928 1.00 0.00 O ATOM 1043 CB SER A 68 3.823 12.718 14.965 1.00 0.00 C ATOM 1044 OG SER A 68 2.732 11.909 15.400 1.00 0.00 O ATOM 0 H SER A 68 1.500 13.193 14.358 1.00 0.00 H new ATOM 0 HA SER A 68 3.840 14.664 14.040 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.640 12.073 14.642 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.193 13.303 15.807 1.00 0.00 H new ATOM 0 HG SER A 68 3.029 11.324 16.128 1.00 0.00 H new ATOM 1050 N GLU A 69 5.050 14.015 12.002 1.00 0.00 N ATOM 1051 CA GLU A 69 5.796 13.791 10.756 1.00 0.00 C ATOM 1052 C GLU A 69 7.297 14.097 10.949 1.00 0.00 C ATOM 1053 O GLU A 69 7.662 15.025 11.676 1.00 0.00 O ATOM 1054 CB GLU A 69 5.154 14.619 9.620 1.00 0.00 C ATOM 1055 CG GLU A 69 5.292 16.144 9.772 1.00 0.00 C ATOM 1056 CD GLU A 69 4.336 16.899 8.825 1.00 0.00 C ATOM 1057 OE1 GLU A 69 4.616 16.979 7.603 1.00 0.00 O ATOM 1058 OE2 GLU A 69 3.307 17.447 9.294 1.00 0.00 O ATOM 0 H GLU A 69 5.341 14.868 12.481 1.00 0.00 H new ATOM 0 HA GLU A 69 5.738 12.740 10.474 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.605 14.321 8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.095 14.369 9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.082 16.428 10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.320 16.439 9.563 1.00 0.00 H new ATOM 1065 N GLU A 70 8.175 13.318 10.307 1.00 0.00 N ATOM 1066 CA GLU A 70 9.643 13.471 10.360 1.00 0.00 C ATOM 1067 C GLU A 70 10.232 13.740 8.966 1.00 0.00 C ATOM 1068 O GLU A 70 10.793 14.813 8.723 1.00 0.00 O ATOM 1069 CB GLU A 70 10.309 12.237 11.013 1.00 0.00 C ATOM 1070 CG GLU A 70 10.702 12.498 12.472 1.00 0.00 C ATOM 1071 CD GLU A 70 11.588 11.375 13.054 1.00 0.00 C ATOM 1072 OE1 GLU A 70 11.254 10.173 12.908 1.00 0.00 O ATOM 1073 OE2 GLU A 70 12.628 11.688 13.685 1.00 0.00 O ATOM 0 H GLU A 70 7.880 12.539 9.718 1.00 0.00 H new ATOM 0 HA GLU A 70 9.858 14.339 10.983 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.624 11.390 10.968 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.196 11.960 10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.234 13.447 12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.800 12.595 13.076 1.00 0.00 H new ATOM 1080 N ASP A 71 10.115 12.767 8.057 1.00 0.00 N ATOM 1081 CA ASP A 71 10.572 12.828 6.656 1.00 0.00 C ATOM 1082 C ASP A 71 9.870 13.924 5.821 1.00 0.00 C ATOM 1083 O ASP A 71 8.618 13.992 5.819 1.00 0.00 O ATOM 1084 CB ASP A 71 10.426 11.435 6.003 1.00 0.00 C ATOM 1085 CG ASP A 71 11.687 10.551 6.143 1.00 0.00 C ATOM 1086 OD1 ASP A 71 12.149 10.296 7.282 1.00 0.00 O ATOM 1087 OD2 ASP A 71 12.225 10.107 5.098 1.00 0.00 O ATOM 1088 OXT ASP A 71 10.586 14.708 5.154 1.00 0.00 O ATOM 0 H ASP A 71 9.680 11.873 8.283 1.00 0.00 H new ATOM 0 HA ASP A 71 11.624 13.115 6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.579 10.919 6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.196 11.561 4.945 1.00 0.00 H new TER 1093 ASP A 71