USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 719 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 74 THR OG1 : rot 180:sc= -0.259 USER MOD Set 1.2: A 77 ASN : amide:sc= -2.73 K(o=-3,f=0.3) USER MOD Set 2.1: A 70 ASN : amide:sc= -3.85 X(o=-7.3,f=-7.3!) USER MOD Set 2.2: A 73 GLN : amide:sc= -0.779 X(o=-7.3,f=-7) USER MOD Set 2.3: A 82 TYR OH : rot 150:sc= -2.65! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 55 SER OG : rot 57:sc= 0.692 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -179:sc= 0 (180deg=-9.27e-05) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 63 THR OG1 : rot 134:sc= -0.264 USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0157) USER MOD Single : A 67 THR OG1 : rot -73:sc= 0.136 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.627 1.625 0.803 1.00 40.43 N ATOM 2 CA MET A 1 10.245 2.850 1.297 1.00 1.23 C ATOM 3 C MET A 1 10.786 3.690 0.144 1.00 13.35 C ATOM 4 O MET A 1 11.635 3.236 -0.622 1.00 20.11 O ATOM 5 CB MET A 1 11.374 2.518 2.275 1.00 11.41 C ATOM 6 CG MET A 1 11.762 3.682 3.173 1.00 32.10 C ATOM 7 SD MET A 1 11.655 3.272 4.926 1.00 44.23 S ATOM 8 CE MET A 1 13.366 3.459 5.421 1.00 24.54 C ATOM 0 H1 MET A 1 9.266 1.070 1.605 1.00 40.43 H new ATOM 0 H2 MET A 1 8.840 1.865 0.167 1.00 40.43 H new ATOM 0 H3 MET A 1 10.333 1.065 0.284 1.00 40.43 H new ATOM 0 HA MET A 1 9.481 3.428 1.817 1.00 1.23 H new ATOM 0 HB2 MET A 1 11.069 1.676 2.897 1.00 11.41 H new ATOM 0 HB3 MET A 1 12.250 2.197 1.711 1.00 11.41 H new ATOM 0 HG2 MET A 1 12.780 3.994 2.938 1.00 32.10 H new ATOM 0 HG3 MET A 1 11.112 4.531 2.962 1.00 32.10 H new ATOM 0 HE1 MET A 1 13.463 3.239 6.484 1.00 24.54 H new ATOM 0 HE2 MET A 1 13.988 2.770 4.849 1.00 24.54 H new ATOM 0 HE3 MET A 1 13.690 4.482 5.232 1.00 24.54 H new ATOM 18 N SER A 2 10.288 4.917 0.028 1.00 53.13 N ATOM 19 CA SER A 2 10.718 5.819 -1.034 1.00 61.24 C ATOM 20 C SER A 2 10.470 5.200 -2.407 1.00 32.35 C ATOM 21 O SER A 2 11.374 4.626 -3.012 1.00 44.05 O ATOM 22 CB SER A 2 12.202 6.157 -0.876 1.00 33.44 C ATOM 23 OG SER A 2 12.468 6.690 0.410 1.00 45.43 O ATOM 0 H SER A 2 9.587 5.309 0.656 1.00 53.13 H new ATOM 0 HA SER A 2 10.133 6.736 -0.956 1.00 61.24 H new ATOM 0 HB2 SER A 2 12.801 5.260 -1.033 1.00 33.44 H new ATOM 0 HB3 SER A 2 12.498 6.876 -1.640 1.00 33.44 H new ATOM 0 HG SER A 2 13.423 6.896 0.487 1.00 45.43 H new ATOM 29 N GLN A 3 9.237 5.321 -2.889 1.00 64.22 N ATOM 30 CA GLN A 3 8.869 4.773 -4.189 1.00 64.52 C ATOM 31 C GLN A 3 7.522 5.319 -4.649 1.00 35.35 C ATOM 32 O GLN A 3 6.566 5.370 -3.876 1.00 32.13 O ATOM 33 CB GLN A 3 8.819 3.245 -4.126 1.00 64.05 C ATOM 34 CG GLN A 3 8.520 2.591 -5.465 1.00 74.54 C ATOM 35 CD GLN A 3 7.919 1.207 -5.317 1.00 61.51 C ATOM 36 OE1 GLN A 3 8.620 0.243 -5.006 1.00 1.10 O ATOM 37 NE2 GLN A 3 6.614 1.100 -5.539 1.00 42.12 N ATOM 0 H GLN A 3 8.477 5.793 -2.399 1.00 64.22 H new ATOM 0 HA GLN A 3 9.628 5.076 -4.911 1.00 64.52 H new ATOM 0 HB2 GLN A 3 9.774 2.873 -3.755 1.00 64.05 H new ATOM 0 HB3 GLN A 3 8.058 2.944 -3.406 1.00 64.05 H new ATOM 0 HG2 GLN A 3 7.833 3.223 -6.028 1.00 74.54 H new ATOM 0 HG3 GLN A 3 9.440 2.523 -6.046 1.00 74.54 H new ATOM 0 HE21 GLN A 3 6.071 1.925 -5.795 1.00 42.12 H new ATOM 0 HE22 GLN A 3 6.155 0.193 -5.454 1.00 42.12 H new ATOM 46 N ASN A 4 7.453 5.726 -5.912 1.00 1.22 N ATOM 47 CA ASN A 4 6.222 6.270 -6.474 1.00 21.21 C ATOM 48 C ASN A 4 5.268 5.150 -6.879 1.00 1.11 C ATOM 49 O ASN A 4 5.689 4.017 -7.112 1.00 11.53 O ATOM 50 CB ASN A 4 6.535 7.151 -7.685 1.00 24.02 C ATOM 51 CG ASN A 4 5.685 8.406 -7.722 1.00 3.32 C ATOM 52 OD1 ASN A 4 5.694 9.203 -6.783 1.00 40.14 O ATOM 53 ND2 ASN A 4 4.945 8.588 -8.809 1.00 63.44 N ATOM 0 H ASN A 4 8.235 5.689 -6.566 1.00 1.22 H new ATOM 0 HA ASN A 4 5.739 6.876 -5.708 1.00 21.21 H new ATOM 0 HB2 ASN A 4 7.589 7.430 -7.666 1.00 24.02 H new ATOM 0 HB3 ASN A 4 6.373 6.579 -8.599 1.00 24.02 H new ATOM 0 HD21 ASN A 4 4.353 9.414 -8.890 1.00 63.44 H new ATOM 0 HD22 ASN A 4 4.969 7.901 -9.563 1.00 63.44 H new ATOM 60 N GLU A 5 3.982 5.477 -6.961 1.00 61.52 N ATOM 61 CA GLU A 5 2.969 4.498 -7.338 1.00 31.11 C ATOM 62 C GLU A 5 2.366 4.835 -8.699 1.00 10.25 C ATOM 63 O GLU A 5 2.482 4.062 -9.648 1.00 74.35 O ATOM 64 CB GLU A 5 1.866 4.440 -6.279 1.00 74.32 C ATOM 65 CG GLU A 5 2.041 3.309 -5.279 1.00 53.22 C ATOM 66 CD GLU A 5 1.471 1.995 -5.778 1.00 51.52 C ATOM 67 OE1 GLU A 5 2.259 1.051 -5.993 1.00 24.14 O ATOM 68 OE2 GLU A 5 0.238 1.912 -5.954 1.00 74.25 O ATOM 0 H GLU A 5 3.617 6.411 -6.772 1.00 61.52 H new ATOM 0 HA GLU A 5 3.450 3.522 -7.405 1.00 31.11 H new ATOM 0 HB2 GLU A 5 1.840 5.388 -5.742 1.00 74.32 H new ATOM 0 HB3 GLU A 5 0.902 4.328 -6.776 1.00 74.32 H new ATOM 0 HG2 GLU A 5 3.102 3.182 -5.062 1.00 53.22 H new ATOM 0 HG3 GLU A 5 1.554 3.579 -4.342 1.00 53.22 H new ATOM 75 N GLU A 6 1.722 5.995 -8.783 1.00 1.21 N ATOM 76 CA GLU A 6 1.100 6.434 -10.026 1.00 51.14 C ATOM 77 C GLU A 6 0.031 5.443 -10.479 1.00 41.42 C ATOM 78 O GLU A 6 0.331 4.449 -11.139 1.00 22.11 O ATOM 79 CB GLU A 6 2.156 6.597 -11.121 1.00 41.43 C ATOM 80 CG GLU A 6 1.605 7.163 -12.419 1.00 71.04 C ATOM 81 CD GLU A 6 2.685 7.760 -13.301 1.00 13.34 C ATOM 82 OE1 GLU A 6 3.540 6.994 -13.792 1.00 73.01 O ATOM 83 OE2 GLU A 6 2.675 8.993 -13.498 1.00 43.25 O ATOM 0 H GLU A 6 1.618 6.647 -8.005 1.00 1.21 H new ATOM 0 HA GLU A 6 0.624 7.398 -9.844 1.00 51.14 H new ATOM 0 HB2 GLU A 6 2.947 7.252 -10.756 1.00 41.43 H new ATOM 0 HB3 GLU A 6 2.612 5.627 -11.322 1.00 41.43 H new ATOM 0 HG2 GLU A 6 1.090 6.373 -12.966 1.00 71.04 H new ATOM 0 HG3 GLU A 6 0.863 7.928 -12.191 1.00 71.04 H new ATOM 90 N ALA A 7 -1.217 5.723 -10.119 1.00 12.11 N ATOM 91 CA ALA A 7 -2.331 4.858 -10.489 1.00 1.53 C ATOM 92 C ALA A 7 -2.482 4.775 -12.004 1.00 4.01 C ATOM 93 O ALA A 7 -1.990 5.623 -12.748 1.00 40.44 O ATOM 94 CB ALA A 7 -3.620 5.359 -9.855 1.00 35.21 C ATOM 0 H ALA A 7 -1.482 6.542 -9.572 1.00 12.11 H new ATOM 0 HA ALA A 7 -2.121 3.856 -10.116 1.00 1.53 H new ATOM 0 HB1 ALA A 7 -4.444 4.704 -10.139 1.00 35.21 H new ATOM 0 HB2 ALA A 7 -3.515 5.360 -8.770 1.00 35.21 H new ATOM 0 HB3 ALA A 7 -3.826 6.372 -10.201 1.00 35.21 H new ATOM 100 N PRO A 8 -3.177 3.728 -12.473 1.00 44.44 N ATOM 101 CA PRO A 8 -3.408 3.509 -13.904 1.00 43.44 C ATOM 102 C PRO A 8 -4.363 4.537 -14.501 1.00 75.21 C ATOM 103 O PRO A 8 -4.127 5.060 -15.590 1.00 23.15 O ATOM 104 CB PRO A 8 -4.028 2.111 -13.954 1.00 25.44 C ATOM 105 CG PRO A 8 -4.658 1.929 -12.616 1.00 75.43 C ATOM 106 CD PRO A 8 -3.791 2.678 -11.644 1.00 1.44 C ATOM 0 HA PRO A 8 -2.490 3.604 -14.484 1.00 43.44 H new ATOM 0 HB2 PRO A 8 -4.765 2.033 -14.753 1.00 25.44 H new ATOM 0 HB3 PRO A 8 -3.272 1.349 -14.143 1.00 25.44 H new ATOM 0 HG2 PRO A 8 -5.677 2.316 -12.609 1.00 75.43 H new ATOM 0 HG3 PRO A 8 -4.717 0.873 -12.353 1.00 75.43 H new ATOM 0 HD2 PRO A 8 -4.376 3.101 -10.828 1.00 1.44 H new ATOM 0 HD3 PRO A 8 -3.039 2.030 -11.194 1.00 1.44 H new ATOM 114 N ALA A 9 -5.444 4.822 -13.781 1.00 63.41 N ATOM 115 CA ALA A 9 -6.434 5.789 -14.239 1.00 23.52 C ATOM 116 C ALA A 9 -6.977 5.410 -15.612 1.00 71.43 C ATOM 117 O ALA A 9 -7.240 6.276 -16.447 1.00 34.33 O ATOM 118 CB ALA A 9 -5.830 7.185 -14.275 1.00 33.23 C ATOM 0 H ALA A 9 -5.656 4.397 -12.878 1.00 63.41 H new ATOM 0 HA ALA A 9 -7.265 5.783 -13.534 1.00 23.52 H new ATOM 0 HB1 ALA A 9 -6.580 7.897 -14.619 1.00 33.23 H new ATOM 0 HB2 ALA A 9 -5.497 7.463 -13.275 1.00 33.23 H new ATOM 0 HB3 ALA A 9 -4.980 7.196 -14.957 1.00 33.23 H new ATOM 124 N ARG A 10 -7.142 4.111 -15.841 1.00 21.24 N ATOM 125 CA ARG A 10 -7.652 3.618 -17.114 1.00 72.41 C ATOM 126 C ARG A 10 -9.143 3.308 -17.019 1.00 73.40 C ATOM 127 O ARG A 10 -9.864 3.363 -18.015 1.00 41.45 O ATOM 128 CB ARG A 10 -6.886 2.365 -17.544 1.00 54.01 C ATOM 129 CG ARG A 10 -6.404 2.411 -18.985 1.00 24.25 C ATOM 130 CD ARG A 10 -5.115 1.623 -19.166 1.00 13.35 C ATOM 131 NE ARG A 10 -4.011 2.473 -19.602 1.00 1.51 N ATOM 132 CZ ARG A 10 -2.807 2.010 -19.919 1.00 32.51 C ATOM 133 NH1 ARG A 10 -2.554 0.710 -19.849 1.00 34.13 N ATOM 134 NH2 ARG A 10 -1.854 2.846 -20.308 1.00 4.35 N ATOM 0 H ARG A 10 -6.930 3.381 -15.161 1.00 21.24 H new ATOM 0 HA ARG A 10 -7.507 4.398 -17.861 1.00 72.41 H new ATOM 0 HB2 ARG A 10 -6.027 2.231 -16.886 1.00 54.01 H new ATOM 0 HB3 ARG A 10 -7.528 1.494 -17.412 1.00 54.01 H new ATOM 0 HG2 ARG A 10 -7.175 2.006 -19.641 1.00 24.25 H new ATOM 0 HG3 ARG A 10 -6.244 3.447 -19.283 1.00 24.25 H new ATOM 0 HD2 ARG A 10 -4.851 1.139 -18.226 1.00 13.35 H new ATOM 0 HD3 ARG A 10 -5.274 0.831 -19.898 1.00 13.35 H new ATOM 0 HE ARG A 10 -4.173 3.478 -19.667 1.00 1.51 H new ATOM 0 HH11 ARG A 10 -3.285 0.064 -19.551 1.00 34.13 H new ATOM 0 HH12 ARG A 10 -1.629 0.357 -20.093 1.00 34.13 H new ATOM 0 HH21 ARG A 10 -2.045 3.846 -20.364 1.00 4.35 H new ATOM 0 HH22 ARG A 10 -0.930 2.489 -20.551 1.00 4.35 H new ATOM 148 N SER A 11 -9.599 2.980 -15.814 1.00 2.40 N ATOM 149 CA SER A 11 -11.003 2.657 -15.589 1.00 42.23 C ATOM 150 C SER A 11 -11.891 3.863 -15.880 1.00 11.12 C ATOM 151 O SER A 11 -11.455 5.009 -15.776 1.00 70.24 O ATOM 152 CB SER A 11 -11.216 2.188 -14.149 1.00 22.31 C ATOM 153 OG SER A 11 -11.378 0.781 -14.090 1.00 2.25 O ATOM 0 H SER A 11 -9.016 2.931 -14.978 1.00 2.40 H new ATOM 0 HA SER A 11 -11.279 1.852 -16.270 1.00 42.23 H new ATOM 0 HB2 SER A 11 -10.365 2.485 -13.537 1.00 22.31 H new ATOM 0 HB3 SER A 11 -12.096 2.677 -13.730 1.00 22.31 H new ATOM 0 HG SER A 11 -11.511 0.506 -13.159 1.00 2.25 H new ATOM 159 N GLY A 12 -13.141 3.595 -16.244 1.00 55.25 N ATOM 160 CA GLY A 12 -14.072 4.667 -16.545 1.00 14.21 C ATOM 161 C GLY A 12 -14.314 5.576 -15.356 1.00 21.54 C ATOM 162 O GLY A 12 -14.201 5.150 -14.207 1.00 65.41 O ATOM 0 H GLY A 12 -13.526 2.655 -16.336 1.00 55.25 H new ATOM 0 HA2 GLY A 12 -13.686 5.257 -17.376 1.00 14.21 H new ATOM 0 HA3 GLY A 12 -15.020 4.240 -16.871 1.00 14.21 H new ATOM 166 N GLY A 13 -14.647 6.833 -15.631 1.00 42.11 N ATOM 167 CA GLY A 13 -14.898 7.785 -14.565 1.00 22.35 C ATOM 168 C GLY A 13 -13.662 8.580 -14.194 1.00 65.22 C ATOM 169 O GLY A 13 -12.584 8.015 -14.007 1.00 4.21 O ATOM 0 H GLY A 13 -14.748 7.209 -16.574 1.00 42.11 H new ATOM 0 HA2 GLY A 13 -15.688 8.470 -14.873 1.00 22.35 H new ATOM 0 HA3 GLY A 13 -15.262 7.253 -13.686 1.00 22.35 H new ATOM 173 N LYS A 14 -13.816 9.895 -14.090 1.00 4.43 N ATOM 174 CA LYS A 14 -12.703 10.771 -13.740 1.00 14.11 C ATOM 175 C LYS A 14 -13.177 11.931 -12.870 1.00 10.10 C ATOM 176 O LYS A 14 -14.217 12.534 -13.134 1.00 52.14 O ATOM 177 CB LYS A 14 -12.034 11.310 -15.006 1.00 63.42 C ATOM 178 CG LYS A 14 -11.084 10.321 -15.659 1.00 62.35 C ATOM 179 CD LYS A 14 -9.932 11.029 -16.354 1.00 34.35 C ATOM 180 CE LYS A 14 -8.733 11.178 -15.431 1.00 5.02 C ATOM 181 NZ LYS A 14 -8.047 12.487 -15.619 1.00 73.44 N ATOM 0 H LYS A 14 -14.701 10.379 -14.243 1.00 4.43 H new ATOM 0 HA LYS A 14 -11.978 10.187 -13.173 1.00 14.11 H new ATOM 0 HB2 LYS A 14 -12.805 11.589 -15.724 1.00 63.42 H new ATOM 0 HB3 LYS A 14 -11.486 12.219 -14.758 1.00 63.42 H new ATOM 0 HG2 LYS A 14 -10.691 9.640 -14.904 1.00 62.35 H new ATOM 0 HG3 LYS A 14 -11.629 9.715 -16.382 1.00 62.35 H new ATOM 0 HD2 LYS A 14 -9.641 10.468 -17.242 1.00 34.35 H new ATOM 0 HD3 LYS A 14 -10.258 12.013 -16.691 1.00 34.35 H new ATOM 0 HE2 LYS A 14 -9.058 11.084 -14.395 1.00 5.02 H new ATOM 0 HE3 LYS A 14 -8.028 10.368 -15.618 1.00 5.02 H new ATOM 0 HZ1 LYS A 14 -7.235 12.550 -14.972 1.00 73.44 H new ATOM 0 HZ2 LYS A 14 -7.714 12.566 -16.601 1.00 73.44 H new ATOM 0 HZ3 LYS A 14 -8.712 13.260 -15.416 1.00 73.44 H new ATOM 195 N VAL A 15 -12.406 12.239 -11.832 1.00 13.52 N ATOM 196 CA VAL A 15 -12.746 13.329 -10.925 1.00 1.25 C ATOM 197 C VAL A 15 -11.494 14.051 -10.440 1.00 23.15 C ATOM 198 O VAL A 15 -10.426 13.450 -10.315 1.00 3.41 O ATOM 199 CB VAL A 15 -13.536 12.818 -9.705 1.00 4.43 C ATOM 200 CG1 VAL A 15 -14.049 13.985 -8.874 1.00 62.22 C ATOM 201 CG2 VAL A 15 -14.683 11.924 -10.150 1.00 11.42 C ATOM 0 H VAL A 15 -11.542 11.749 -11.598 1.00 13.52 H new ATOM 0 HA VAL A 15 -13.369 14.025 -11.486 1.00 1.25 H new ATOM 0 HB VAL A 15 -12.866 12.226 -9.081 1.00 4.43 H new ATOM 0 HG11 VAL A 15 -14.605 13.605 -8.017 1.00 62.22 H new ATOM 0 HG12 VAL A 15 -13.206 14.581 -8.525 1.00 62.22 H new ATOM 0 HG13 VAL A 15 -14.704 14.606 -9.485 1.00 62.22 H new ATOM 0 HG21 VAL A 15 -15.230 11.572 -9.276 1.00 11.42 H new ATOM 0 HG22 VAL A 15 -15.355 12.489 -10.796 1.00 11.42 H new ATOM 0 HG23 VAL A 15 -14.287 11.069 -10.698 1.00 11.42 H new ATOM 211 N THR A 16 -11.631 15.345 -10.166 1.00 73.31 N ATOM 212 CA THR A 16 -10.511 16.150 -9.695 1.00 75.31 C ATOM 213 C THR A 16 -10.905 16.981 -8.480 1.00 1.24 C ATOM 214 O THR A 16 -11.941 17.647 -8.479 1.00 45.11 O ATOM 215 CB THR A 16 -9.992 17.090 -10.799 1.00 64.53 C ATOM 216 OG1 THR A 16 -10.881 17.066 -11.921 1.00 63.15 O ATOM 217 CG2 THR A 16 -8.595 16.682 -11.244 1.00 30.33 C ATOM 0 H THR A 16 -12.507 15.858 -10.262 1.00 73.31 H new ATOM 0 HA THR A 16 -9.718 15.456 -9.416 1.00 75.31 H new ATOM 0 HB THR A 16 -9.947 18.101 -10.393 1.00 64.53 H new ATOM 0 HG1 THR A 16 -10.545 17.668 -12.618 1.00 63.15 H new ATOM 0 HG21 THR A 16 -8.249 17.360 -12.024 1.00 30.33 H new ATOM 0 HG22 THR A 16 -7.914 16.729 -10.394 1.00 30.33 H new ATOM 0 HG23 THR A 16 -8.620 15.664 -11.633 1.00 30.33 H new ATOM 225 N PHE A 17 -10.072 16.939 -7.445 1.00 1.20 N ATOM 226 CA PHE A 17 -10.333 17.689 -6.222 1.00 54.20 C ATOM 227 C PHE A 17 -9.203 18.674 -5.936 1.00 33.33 C ATOM 228 O PHE A 17 -8.043 18.414 -6.256 1.00 54.03 O ATOM 229 CB PHE A 17 -10.504 16.734 -5.039 1.00 74.43 C ATOM 230 CG PHE A 17 -11.402 15.567 -5.336 1.00 75.12 C ATOM 231 CD1 PHE A 17 -12.775 15.674 -5.179 1.00 2.41 C ATOM 232 CD2 PHE A 17 -10.874 14.362 -5.772 1.00 52.52 C ATOM 233 CE1 PHE A 17 -13.604 14.603 -5.452 1.00 32.23 C ATOM 234 CE2 PHE A 17 -11.699 13.288 -6.047 1.00 25.32 C ATOM 235 CZ PHE A 17 -13.065 13.408 -5.885 1.00 70.42 C ATOM 0 H PHE A 17 -9.210 16.393 -7.429 1.00 1.20 H new ATOM 0 HA PHE A 17 -11.256 18.252 -6.361 1.00 54.20 H new ATOM 0 HB2 PHE A 17 -9.525 16.361 -4.739 1.00 74.43 H new ATOM 0 HB3 PHE A 17 -10.909 17.287 -4.191 1.00 74.43 H new ATOM 0 HD1 PHE A 17 -13.202 16.606 -4.839 1.00 2.41 H new ATOM 0 HD2 PHE A 17 -9.806 14.261 -5.898 1.00 52.52 H new ATOM 0 HE1 PHE A 17 -14.672 14.700 -5.327 1.00 32.23 H new ATOM 0 HE2 PHE A 17 -11.275 12.355 -6.389 1.00 25.32 H new ATOM 0 HZ PHE A 17 -13.711 12.569 -6.097 1.00 70.42 H new ATOM 245 N ARG A 18 -9.551 19.805 -5.331 1.00 31.23 N ATOM 246 CA ARG A 18 -8.567 20.829 -5.003 1.00 13.45 C ATOM 247 C ARG A 18 -8.391 20.950 -3.492 1.00 30.24 C ATOM 248 O ARG A 18 -9.368 21.048 -2.749 1.00 32.42 O ATOM 249 CB ARG A 18 -8.991 22.179 -5.586 1.00 65.45 C ATOM 250 CG ARG A 18 -10.260 22.739 -4.967 1.00 12.12 C ATOM 251 CD ARG A 18 -10.738 23.982 -5.702 1.00 65.42 C ATOM 252 NE ARG A 18 -12.187 24.140 -5.626 1.00 74.52 N ATOM 253 CZ ARG A 18 -12.822 24.591 -4.550 1.00 50.12 C ATOM 254 NH1 ARG A 18 -12.138 24.928 -3.466 1.00 21.04 N ATOM 255 NH2 ARG A 18 -14.144 24.707 -4.558 1.00 22.11 N ATOM 0 H ARG A 18 -10.507 20.035 -5.058 1.00 31.23 H new ATOM 0 HA ARG A 18 -7.613 20.534 -5.441 1.00 13.45 H new ATOM 0 HB2 ARG A 18 -8.182 22.896 -5.446 1.00 65.45 H new ATOM 0 HB3 ARG A 18 -9.138 22.071 -6.661 1.00 65.45 H new ATOM 0 HG2 ARG A 18 -11.042 21.980 -4.988 1.00 12.12 H new ATOM 0 HG3 ARG A 18 -10.079 22.981 -3.920 1.00 12.12 H new ATOM 0 HD2 ARG A 18 -10.255 24.862 -5.278 1.00 65.42 H new ATOM 0 HD3 ARG A 18 -10.434 23.924 -6.747 1.00 65.42 H new ATOM 0 HE ARG A 18 -12.743 23.890 -6.444 1.00 74.52 H new ATOM 0 HH11 ARG A 18 -11.122 24.841 -3.457 1.00 21.04 H new ATOM 0 HH12 ARG A 18 -12.628 25.274 -2.641 1.00 21.04 H new ATOM 0 HH21 ARG A 18 -14.673 24.450 -5.391 1.00 22.11 H new ATOM 0 HH22 ARG A 18 -14.631 25.053 -3.731 1.00 22.11 H new ATOM 269 N ILE A 19 -7.140 20.941 -3.045 1.00 2.43 N ATOM 270 CA ILE A 19 -6.836 21.050 -1.623 1.00 51.22 C ATOM 271 C ILE A 19 -5.945 22.255 -1.342 1.00 54.50 C ATOM 272 O ILE A 19 -4.930 22.459 -2.009 1.00 32.43 O ATOM 273 CB ILE A 19 -6.143 19.780 -1.097 1.00 23.31 C ATOM 274 CG1 ILE A 19 -6.914 18.533 -1.535 1.00 64.22 C ATOM 275 CG2 ILE A 19 -6.025 19.830 0.419 1.00 5.21 C ATOM 276 CD1 ILE A 19 -6.277 17.808 -2.700 1.00 72.43 C ATOM 0 H ILE A 19 -6.320 20.859 -3.647 1.00 2.43 H new ATOM 0 HA ILE A 19 -7.787 21.176 -1.106 1.00 51.22 H new ATOM 0 HB ILE A 19 -5.139 19.731 -1.519 1.00 23.31 H new ATOM 0 HG12 ILE A 19 -6.992 17.849 -0.690 1.00 64.22 H new ATOM 0 HG13 ILE A 19 -7.929 18.820 -1.808 1.00 64.22 H new ATOM 0 HG21 ILE A 19 -5.533 18.925 0.776 1.00 5.21 H new ATOM 0 HG22 ILE A 19 -5.438 20.701 0.710 1.00 5.21 H new ATOM 0 HG23 ILE A 19 -7.020 19.900 0.859 1.00 5.21 H new ATOM 0 HD11 ILE A 19 -6.877 16.935 -2.957 1.00 72.43 H new ATOM 0 HD12 ILE A 19 -6.223 18.477 -3.559 1.00 72.43 H new ATOM 0 HD13 ILE A 19 -5.272 17.490 -2.425 1.00 72.43 H new ATOM 288 N ILE A 20 -6.331 23.051 -0.350 1.00 73.21 N ATOM 289 CA ILE A 20 -5.566 24.234 0.021 1.00 0.43 C ATOM 290 C ILE A 20 -5.026 24.116 1.442 1.00 5.13 C ATOM 291 O ILE A 20 -5.785 24.143 2.412 1.00 72.15 O ATOM 292 CB ILE A 20 -6.418 25.513 -0.087 1.00 71.30 C ATOM 293 CG1 ILE A 20 -6.908 25.705 -1.524 1.00 3.32 C ATOM 294 CG2 ILE A 20 -5.619 26.723 0.373 1.00 63.34 C ATOM 295 CD1 ILE A 20 -8.187 24.959 -1.831 1.00 61.14 C ATOM 0 H ILE A 20 -7.169 22.898 0.211 1.00 73.21 H new ATOM 0 HA ILE A 20 -4.732 24.302 -0.678 1.00 0.43 H new ATOM 0 HB ILE A 20 -7.287 25.409 0.563 1.00 71.30 H new ATOM 0 HG12 ILE A 20 -7.064 26.768 -1.707 1.00 3.32 H new ATOM 0 HG13 ILE A 20 -6.130 25.374 -2.212 1.00 3.32 H new ATOM 0 HG21 ILE A 20 -6.235 27.618 0.291 1.00 63.34 H new ATOM 0 HG22 ILE A 20 -5.316 26.586 1.411 1.00 63.34 H new ATOM 0 HG23 ILE A 20 -4.733 26.833 -0.252 1.00 63.34 H new ATOM 0 HD11 ILE A 20 -8.475 25.141 -2.866 1.00 61.14 H new ATOM 0 HD12 ILE A 20 -8.030 23.891 -1.680 1.00 61.14 H new ATOM 0 HD13 ILE A 20 -8.979 25.307 -1.168 1.00 61.14 H new ATOM 307 N LEU A 21 -3.709 23.987 1.559 1.00 23.35 N ATOM 308 CA LEU A 21 -3.065 23.866 2.863 1.00 43.31 C ATOM 309 C LEU A 21 -2.499 25.208 3.317 1.00 40.11 C ATOM 310 O LEU A 21 -2.267 26.104 2.504 1.00 21.12 O ATOM 311 CB LEU A 21 -1.949 22.822 2.808 1.00 64.32 C ATOM 312 CG LEU A 21 -0.711 23.204 1.995 1.00 1.13 C ATOM 313 CD1 LEU A 21 0.540 22.599 2.612 1.00 25.11 C ATOM 314 CD2 LEU A 21 -0.864 22.758 0.548 1.00 1.15 C ATOM 0 H LEU A 21 -3.066 23.963 0.767 1.00 23.35 H new ATOM 0 HA LEU A 21 -3.818 23.547 3.584 1.00 43.31 H new ATOM 0 HB2 LEU A 21 -1.635 22.601 3.828 1.00 64.32 H new ATOM 0 HB3 LEU A 21 -2.360 21.901 2.395 1.00 64.32 H new ATOM 0 HG LEU A 21 -0.610 24.289 2.011 1.00 1.13 H new ATOM 0 HD11 LEU A 21 1.411 22.881 2.020 1.00 25.11 H new ATOM 0 HD12 LEU A 21 0.658 22.968 3.631 1.00 25.11 H new ATOM 0 HD13 LEU A 21 0.449 21.513 2.628 1.00 25.11 H new ATOM 0 HD21 LEU A 21 0.026 23.038 -0.015 1.00 1.15 H new ATOM 0 HD22 LEU A 21 -0.990 21.676 0.512 1.00 1.15 H new ATOM 0 HD23 LEU A 21 -1.738 23.240 0.109 1.00 1.15 H new ATOM 326 N THR A 22 -2.277 25.340 4.621 1.00 44.20 N ATOM 327 CA THR A 22 -1.737 26.572 5.183 1.00 20.44 C ATOM 328 C THR A 22 -0.224 26.485 5.345 1.00 3.24 C ATOM 329 O THR A 22 0.442 27.491 5.593 1.00 61.42 O ATOM 330 CB THR A 22 -2.371 26.890 6.551 1.00 61.23 C ATOM 331 OG1 THR A 22 -3.657 26.268 6.651 1.00 0.20 O ATOM 332 CG2 THR A 22 -2.511 28.392 6.746 1.00 75.04 C ATOM 0 H THR A 22 -2.463 24.609 5.308 1.00 44.20 H new ATOM 0 HA THR A 22 -1.979 27.372 4.483 1.00 20.44 H new ATOM 0 HB THR A 22 -1.717 26.498 7.330 1.00 61.23 H new ATOM 0 HG1 THR A 22 -4.053 26.473 7.524 1.00 0.20 H new ATOM 0 HG21 THR A 22 -2.961 28.592 7.718 1.00 75.04 H new ATOM 0 HG22 THR A 22 -1.527 28.858 6.698 1.00 75.04 H new ATOM 0 HG23 THR A 22 -3.146 28.803 5.961 1.00 75.04 H new ATOM 340 N SER A 23 0.314 25.278 5.204 1.00 60.12 N ATOM 341 CA SER A 23 1.750 25.060 5.338 1.00 74.04 C ATOM 342 C SER A 23 2.479 25.445 4.054 1.00 25.52 C ATOM 343 O SER A 23 3.697 25.620 4.050 1.00 64.45 O ATOM 344 CB SER A 23 2.035 23.597 5.681 1.00 31.31 C ATOM 345 OG SER A 23 2.856 23.494 6.832 1.00 71.45 O ATOM 0 H SER A 23 -0.223 24.436 4.997 1.00 60.12 H new ATOM 0 HA SER A 23 2.115 25.693 6.147 1.00 74.04 H new ATOM 0 HB2 SER A 23 1.096 23.071 5.852 1.00 31.31 H new ATOM 0 HB3 SER A 23 2.524 23.111 4.837 1.00 31.31 H new ATOM 0 HG SER A 23 3.022 22.549 7.032 1.00 71.45 H new ATOM 351 N GLU A 24 1.725 25.574 2.968 1.00 74.24 N ATOM 352 CA GLU A 24 2.300 25.937 1.678 1.00 74.34 C ATOM 353 C GLU A 24 1.731 27.263 1.182 1.00 10.34 C ATOM 354 O GLU A 24 1.119 27.329 0.116 1.00 12.03 O ATOM 355 CB GLU A 24 2.031 24.838 0.647 1.00 21.23 C ATOM 356 CG GLU A 24 2.736 25.062 -0.680 1.00 1.32 C ATOM 357 CD GLU A 24 3.877 24.089 -0.906 1.00 50.43 C ATOM 358 OE1 GLU A 24 5.045 24.530 -0.878 1.00 65.50 O ATOM 359 OE2 GLU A 24 3.602 22.889 -1.112 1.00 32.01 O ATOM 0 H GLU A 24 0.715 25.433 2.955 1.00 74.24 H new ATOM 0 HA GLU A 24 3.376 26.049 1.808 1.00 74.34 H new ATOM 0 HB2 GLU A 24 2.347 23.880 1.059 1.00 21.23 H new ATOM 0 HB3 GLU A 24 0.957 24.771 0.472 1.00 21.23 H new ATOM 0 HG2 GLU A 24 2.015 24.965 -1.491 1.00 1.32 H new ATOM 0 HG3 GLU A 24 3.120 26.081 -0.715 1.00 1.32 H new ATOM 366 N ARG A 25 1.938 28.318 1.965 1.00 75.34 N ATOM 367 CA ARG A 25 1.444 29.642 1.607 1.00 5.43 C ATOM 368 C ARG A 25 2.126 30.153 0.341 1.00 74.42 C ATOM 369 O ARG A 25 1.650 31.093 -0.296 1.00 4.03 O ATOM 370 CB ARG A 25 1.679 30.624 2.756 1.00 3.45 C ATOM 371 CG ARG A 25 0.505 31.555 3.012 1.00 31.22 C ATOM 372 CD ARG A 25 0.809 32.542 4.129 1.00 72.44 C ATOM 373 NE ARG A 25 -0.377 33.291 4.535 1.00 72.04 N ATOM 374 CZ ARG A 25 -0.454 33.992 5.660 1.00 2.22 C ATOM 375 NH1 ARG A 25 0.582 34.040 6.487 1.00 15.10 N ATOM 376 NH2 ARG A 25 -1.568 34.648 5.960 1.00 24.13 N ATOM 0 H ARG A 25 2.444 28.281 2.850 1.00 75.34 H new ATOM 0 HA ARG A 25 0.374 29.564 1.417 1.00 5.43 H new ATOM 0 HB2 ARG A 25 1.891 30.062 3.665 1.00 3.45 H new ATOM 0 HB3 ARG A 25 2.564 31.221 2.537 1.00 3.45 H new ATOM 0 HG2 ARG A 25 0.266 32.100 2.099 1.00 31.22 H new ATOM 0 HG3 ARG A 25 -0.376 30.968 3.273 1.00 31.22 H new ATOM 0 HD2 ARG A 25 1.210 32.005 4.988 1.00 72.44 H new ATOM 0 HD3 ARG A 25 1.581 33.237 3.799 1.00 72.44 H new ATOM 0 HE ARG A 25 -1.191 33.275 3.921 1.00 72.04 H new ATOM 0 HH11 ARG A 25 1.440 33.538 6.259 1.00 15.10 H new ATOM 0 HH12 ARG A 25 0.521 34.579 7.351 1.00 15.10 H new ATOM 0 HH21 ARG A 25 -2.366 34.614 5.326 1.00 24.13 H new ATOM 0 HH22 ARG A 25 -1.626 35.186 6.825 1.00 24.13 H new ATOM 390 N SER A 26 3.241 29.526 -0.018 1.00 44.14 N ATOM 391 CA SER A 26 3.990 29.919 -1.206 1.00 45.31 C ATOM 392 C SER A 26 3.117 29.828 -2.454 1.00 24.20 C ATOM 393 O SER A 26 3.260 30.622 -3.383 1.00 63.01 O ATOM 394 CB SER A 26 5.228 29.035 -1.370 1.00 44.41 C ATOM 395 OG SER A 26 6.368 29.640 -0.783 1.00 71.14 O ATOM 0 H SER A 26 3.646 28.744 0.496 1.00 44.14 H new ATOM 0 HA SER A 26 4.306 30.955 -1.080 1.00 45.31 H new ATOM 0 HB2 SER A 26 5.049 28.064 -0.908 1.00 44.41 H new ATOM 0 HB3 SER A 26 5.413 28.855 -2.429 1.00 44.41 H new ATOM 0 HG SER A 26 7.145 29.055 -0.900 1.00 71.14 H new ATOM 401 N GLN A 27 2.214 28.853 -2.466 1.00 52.30 N ATOM 402 CA GLN A 27 1.318 28.657 -3.600 1.00 32.15 C ATOM 403 C GLN A 27 0.303 27.557 -3.307 1.00 71.20 C ATOM 404 O GLN A 27 0.319 26.486 -3.915 1.00 10.14 O ATOM 405 CB GLN A 27 2.119 28.308 -4.855 1.00 74.41 C ATOM 406 CG GLN A 27 1.260 28.144 -6.099 1.00 13.53 C ATOM 407 CD GLN A 27 1.605 29.147 -7.182 1.00 13.51 C ATOM 408 OE1 GLN A 27 0.946 30.179 -7.322 1.00 23.43 O ATOM 409 NE2 GLN A 27 2.642 28.850 -7.956 1.00 11.01 N ATOM 0 H GLN A 27 2.083 28.187 -1.704 1.00 52.30 H new ATOM 0 HA GLN A 27 0.778 29.588 -3.770 1.00 32.15 H new ATOM 0 HB2 GLN A 27 2.857 29.090 -5.034 1.00 74.41 H new ATOM 0 HB3 GLN A 27 2.670 27.384 -4.679 1.00 74.41 H new ATOM 0 HG2 GLN A 27 1.384 27.135 -6.491 1.00 13.53 H new ATOM 0 HG3 GLN A 27 0.210 28.254 -5.828 1.00 13.53 H new ATOM 0 HE21 GLN A 27 3.160 27.984 -7.805 1.00 11.01 H new ATOM 0 HE22 GLN A 27 2.921 29.488 -8.702 1.00 11.01 H new ATOM 418 N PRO A 28 -0.602 27.824 -2.354 1.00 12.21 N ATOM 419 CA PRO A 28 -1.642 26.869 -1.959 1.00 41.21 C ATOM 420 C PRO A 28 -2.696 26.679 -3.044 1.00 72.32 C ATOM 421 O PRO A 28 -3.660 27.440 -3.128 1.00 11.23 O ATOM 422 CB PRO A 28 -2.263 27.514 -0.717 1.00 62.14 C ATOM 423 CG PRO A 28 -2.000 28.972 -0.876 1.00 75.22 C ATOM 424 CD PRO A 28 -0.681 29.080 -1.588 1.00 64.25 C ATOM 0 HA PRO A 28 -1.235 25.874 -1.781 1.00 41.21 H new ATOM 0 HB2 PRO A 28 -3.332 27.309 -0.657 1.00 62.14 H new ATOM 0 HB3 PRO A 28 -1.812 27.128 0.197 1.00 62.14 H new ATOM 0 HG2 PRO A 28 -2.793 29.451 -1.450 1.00 75.22 H new ATOM 0 HG3 PRO A 28 -1.962 29.470 0.093 1.00 75.22 H new ATOM 0 HD2 PRO A 28 -0.647 29.952 -2.241 1.00 64.25 H new ATOM 0 HD3 PRO A 28 0.148 29.175 -0.886 1.00 64.25 H new ATOM 432 N PHE A 29 -2.507 25.658 -3.874 1.00 33.34 N ATOM 433 CA PHE A 29 -3.442 25.368 -4.954 1.00 74.43 C ATOM 434 C PHE A 29 -3.044 24.092 -5.691 1.00 5.21 C ATOM 435 O PHE A 29 -2.761 24.117 -6.889 1.00 4.22 O ATOM 436 CB PHE A 29 -3.500 26.540 -5.936 1.00 12.03 C ATOM 437 CG PHE A 29 -4.824 26.674 -6.633 1.00 20.34 C ATOM 438 CD1 PHE A 29 -5.984 26.898 -5.908 1.00 44.14 C ATOM 439 CD2 PHE A 29 -4.909 26.574 -8.012 1.00 43.51 C ATOM 440 CE1 PHE A 29 -7.203 27.022 -6.547 1.00 14.14 C ATOM 441 CE2 PHE A 29 -6.125 26.698 -8.656 1.00 35.03 C ATOM 442 CZ PHE A 29 -7.274 26.921 -7.922 1.00 74.21 C ATOM 0 H PHE A 29 -1.715 25.018 -3.819 1.00 33.34 H new ATOM 0 HA PHE A 29 -4.429 25.221 -4.516 1.00 74.43 H new ATOM 0 HB2 PHE A 29 -3.286 27.464 -5.399 1.00 12.03 H new ATOM 0 HB3 PHE A 29 -2.716 26.417 -6.683 1.00 12.03 H new ATOM 0 HD1 PHE A 29 -5.935 26.976 -4.832 1.00 44.14 H new ATOM 0 HD2 PHE A 29 -4.014 26.397 -8.590 1.00 43.51 H new ATOM 0 HE1 PHE A 29 -8.100 27.198 -5.971 1.00 14.14 H new ATOM 0 HE2 PHE A 29 -6.177 26.621 -9.732 1.00 35.03 H new ATOM 0 HZ PHE A 29 -8.226 27.016 -8.423 1.00 74.21 H new ATOM 452 N ARG A 30 -3.023 22.979 -4.965 1.00 61.14 N ATOM 453 CA ARG A 30 -2.657 21.694 -5.549 1.00 30.35 C ATOM 454 C ARG A 30 -3.897 20.934 -6.012 1.00 2.15 C ATOM 455 O ARG A 30 -4.860 20.780 -5.260 1.00 61.14 O ATOM 456 CB ARG A 30 -1.879 20.852 -4.535 1.00 15.44 C ATOM 457 CG ARG A 30 -0.529 20.378 -5.045 1.00 61.23 C ATOM 458 CD ARG A 30 -0.666 19.607 -6.349 1.00 22.31 C ATOM 459 NE ARG A 30 0.005 20.281 -7.457 1.00 12.41 N ATOM 460 CZ ARG A 30 1.325 20.327 -7.599 1.00 12.24 C ATOM 461 NH1 ARG A 30 2.111 19.740 -6.707 1.00 44.41 N ATOM 462 NH2 ARG A 30 1.861 20.961 -8.634 1.00 75.33 N ATOM 0 H ARG A 30 -3.255 22.941 -3.972 1.00 61.14 H new ATOM 0 HA ARG A 30 -2.024 21.884 -6.416 1.00 30.35 H new ATOM 0 HB2 ARG A 30 -1.730 21.437 -3.628 1.00 15.44 H new ATOM 0 HB3 ARG A 30 -2.479 19.985 -4.260 1.00 15.44 H new ATOM 0 HG2 ARG A 30 0.126 21.236 -5.195 1.00 61.23 H new ATOM 0 HG3 ARG A 30 -0.057 19.744 -4.294 1.00 61.23 H new ATOM 0 HD2 ARG A 30 -0.247 18.608 -6.225 1.00 22.31 H new ATOM 0 HD3 ARG A 30 -1.722 19.482 -6.587 1.00 22.31 H new ATOM 0 HE ARG A 30 -0.572 20.742 -8.161 1.00 12.41 H new ATOM 0 HH11 ARG A 30 1.702 19.252 -5.910 1.00 44.41 H new ATOM 0 HH12 ARG A 30 3.124 19.776 -6.818 1.00 44.41 H new ATOM 0 HH21 ARG A 30 1.259 21.414 -9.322 1.00 75.33 H new ATOM 0 HH22 ARG A 30 2.875 20.995 -8.742 1.00 75.33 H new ATOM 476 N VAL A 31 -3.866 20.462 -7.254 1.00 23.02 N ATOM 477 CA VAL A 31 -4.986 19.718 -7.817 1.00 40.12 C ATOM 478 C VAL A 31 -4.644 18.240 -7.968 1.00 11.11 C ATOM 479 O VAL A 31 -3.549 17.888 -8.406 1.00 63.34 O ATOM 480 CB VAL A 31 -5.399 20.281 -9.190 1.00 75.31 C ATOM 481 CG1 VAL A 31 -4.247 20.181 -10.177 1.00 45.43 C ATOM 482 CG2 VAL A 31 -6.627 19.552 -9.716 1.00 41.12 C ATOM 0 H VAL A 31 -3.077 20.582 -7.890 1.00 23.02 H new ATOM 0 HA VAL A 31 -5.819 19.826 -7.122 1.00 40.12 H new ATOM 0 HB VAL A 31 -5.652 21.334 -9.070 1.00 75.31 H new ATOM 0 HG11 VAL A 31 -4.558 20.584 -11.141 1.00 45.43 H new ATOM 0 HG12 VAL A 31 -3.397 20.751 -9.803 1.00 45.43 H new ATOM 0 HG13 VAL A 31 -3.959 19.136 -10.296 1.00 45.43 H new ATOM 0 HG21 VAL A 31 -6.906 19.962 -10.687 1.00 41.12 H new ATOM 0 HG22 VAL A 31 -6.403 18.491 -9.821 1.00 41.12 H new ATOM 0 HG23 VAL A 31 -7.454 19.681 -9.017 1.00 41.12 H new ATOM 492 N ILE A 32 -5.588 17.380 -7.602 1.00 73.11 N ATOM 493 CA ILE A 32 -5.387 15.939 -7.698 1.00 54.43 C ATOM 494 C ILE A 32 -6.425 15.300 -8.614 1.00 71.44 C ATOM 495 O ILE A 32 -7.627 15.507 -8.448 1.00 40.02 O ATOM 496 CB ILE A 32 -5.457 15.268 -6.314 1.00 73.41 C ATOM 497 CG1 ILE A 32 -6.691 15.751 -5.550 1.00 14.41 C ATOM 498 CG2 ILE A 32 -4.191 15.554 -5.522 1.00 3.43 C ATOM 499 CD1 ILE A 32 -6.899 15.045 -4.229 1.00 33.13 C ATOM 0 H ILE A 32 -6.499 17.656 -7.236 1.00 73.11 H new ATOM 0 HA ILE A 32 -4.392 15.786 -8.117 1.00 54.43 H new ATOM 0 HB ILE A 32 -5.539 14.190 -6.453 1.00 73.41 H new ATOM 0 HG12 ILE A 32 -6.600 16.822 -5.370 1.00 14.41 H new ATOM 0 HG13 ILE A 32 -7.574 15.606 -6.173 1.00 14.41 H new ATOM 0 HG21 ILE A 32 -4.256 15.073 -4.546 1.00 3.43 H new ATOM 0 HG22 ILE A 32 -3.328 15.164 -6.062 1.00 3.43 H new ATOM 0 HG23 ILE A 32 -4.080 16.630 -5.389 1.00 3.43 H new ATOM 0 HD11 ILE A 32 -7.792 15.438 -3.743 1.00 33.13 H new ATOM 0 HD12 ILE A 32 -7.022 13.976 -4.403 1.00 33.13 H new ATOM 0 HD13 ILE A 32 -6.034 15.211 -3.588 1.00 33.13 H new ATOM 511 N SER A 33 -5.952 14.519 -9.581 1.00 12.21 N ATOM 512 CA SER A 33 -6.839 13.850 -10.525 1.00 62.24 C ATOM 513 C SER A 33 -6.925 12.357 -10.225 1.00 34.45 C ATOM 514 O SER A 33 -5.917 11.651 -10.237 1.00 24.53 O ATOM 515 CB SER A 33 -6.348 14.065 -11.958 1.00 53.25 C ATOM 516 OG SER A 33 -5.520 15.212 -12.047 1.00 73.22 O ATOM 0 H SER A 33 -4.960 14.334 -9.731 1.00 12.21 H new ATOM 0 HA SER A 33 -7.834 14.282 -10.420 1.00 62.24 H new ATOM 0 HB2 SER A 33 -5.795 13.187 -12.292 1.00 53.25 H new ATOM 0 HB3 SER A 33 -7.202 14.177 -12.626 1.00 53.25 H new ATOM 0 HG SER A 33 -5.218 15.326 -12.972 1.00 73.22 H new ATOM 522 N ILE A 34 -8.137 11.883 -9.955 1.00 13.22 N ATOM 523 CA ILE A 34 -8.357 10.474 -9.652 1.00 5.43 C ATOM 524 C ILE A 34 -9.734 10.019 -10.121 1.00 52.10 C ATOM 525 O ILE A 34 -10.684 10.802 -10.143 1.00 23.44 O ATOM 526 CB ILE A 34 -8.222 10.196 -8.143 1.00 75.40 C ATOM 527 CG1 ILE A 34 -9.354 10.880 -7.373 1.00 41.12 C ATOM 528 CG2 ILE A 34 -6.868 10.667 -7.636 1.00 11.55 C ATOM 529 CD1 ILE A 34 -9.295 10.649 -5.880 1.00 23.25 C ATOM 0 H ILE A 34 -8.982 12.454 -9.940 1.00 13.22 H new ATOM 0 HA ILE A 34 -7.591 9.912 -10.187 1.00 5.43 H new ATOM 0 HB ILE A 34 -8.294 9.121 -7.979 1.00 75.40 H new ATOM 0 HG12 ILE A 34 -9.319 11.952 -7.568 1.00 41.12 H new ATOM 0 HG13 ILE A 34 -10.310 10.518 -7.751 1.00 41.12 H new ATOM 0 HG21 ILE A 34 -6.788 10.463 -6.568 1.00 11.55 H new ATOM 0 HG22 ILE A 34 -6.077 10.137 -8.166 1.00 11.55 H new ATOM 0 HG23 ILE A 34 -6.767 11.738 -7.810 1.00 11.55 H new ATOM 0 HD11 ILE A 34 -10.127 11.163 -5.399 1.00 23.25 H new ATOM 0 HD12 ILE A 34 -9.361 9.581 -5.674 1.00 23.25 H new ATOM 0 HD13 ILE A 34 -8.354 11.037 -5.489 1.00 23.25 H new ATOM 541 N ALA A 35 -9.836 8.748 -10.495 1.00 24.35 N ATOM 542 CA ALA A 35 -11.098 8.187 -10.960 1.00 21.43 C ATOM 543 C ALA A 35 -12.105 8.081 -9.820 1.00 11.34 C ATOM 544 O ALA A 35 -11.728 7.915 -8.660 1.00 40.12 O ATOM 545 CB ALA A 35 -10.868 6.822 -11.591 1.00 61.41 C ATOM 0 H ALA A 35 -9.059 8.087 -10.485 1.00 24.35 H new ATOM 0 HA ALA A 35 -11.510 8.859 -11.713 1.00 21.43 H new ATOM 0 HB1 ALA A 35 -11.819 6.415 -11.934 1.00 61.41 H new ATOM 0 HB2 ALA A 35 -10.190 6.922 -12.438 1.00 61.41 H new ATOM 0 HB3 ALA A 35 -10.430 6.149 -10.854 1.00 61.41 H new ATOM 551 N GLU A 36 -13.387 8.180 -10.157 1.00 71.25 N ATOM 552 CA GLU A 36 -14.448 8.097 -9.160 1.00 63.13 C ATOM 553 C GLU A 36 -14.413 6.752 -8.439 1.00 40.35 C ATOM 554 O GLU A 36 -14.897 6.627 -7.315 1.00 52.13 O ATOM 555 CB GLU A 36 -15.814 8.300 -9.818 1.00 70.05 C ATOM 556 CG GLU A 36 -16.857 8.892 -8.886 1.00 32.24 C ATOM 557 CD GLU A 36 -18.275 8.627 -9.353 1.00 32.32 C ATOM 558 OE1 GLU A 36 -18.456 8.310 -10.547 1.00 71.32 O ATOM 559 OE2 GLU A 36 -19.204 8.736 -8.525 1.00 5.40 O ATOM 0 H GLU A 36 -13.716 8.318 -11.113 1.00 71.25 H new ATOM 0 HA GLU A 36 -14.285 8.887 -8.427 1.00 63.13 H new ATOM 0 HB2 GLU A 36 -15.698 8.954 -10.682 1.00 70.05 H new ATOM 0 HB3 GLU A 36 -16.174 7.341 -10.191 1.00 70.05 H new ATOM 0 HG2 GLU A 36 -16.724 8.476 -7.887 1.00 32.24 H new ATOM 0 HG3 GLU A 36 -16.700 9.968 -8.807 1.00 32.24 H new ATOM 566 N GLU A 37 -13.837 5.750 -9.096 1.00 51.12 N ATOM 567 CA GLU A 37 -13.741 4.415 -8.519 1.00 24.34 C ATOM 568 C GLU A 37 -12.283 4.025 -8.289 1.00 12.43 C ATOM 569 O GLU A 37 -11.981 2.881 -7.952 1.00 71.11 O ATOM 570 CB GLU A 37 -14.416 3.390 -9.432 1.00 63.33 C ATOM 571 CG GLU A 37 -15.676 2.782 -8.839 1.00 3.10 C ATOM 572 CD GLU A 37 -15.879 1.338 -9.256 1.00 14.50 C ATOM 573 OE1 GLU A 37 -16.221 1.105 -10.434 1.00 64.45 O ATOM 574 OE2 GLU A 37 -15.698 0.443 -8.405 1.00 12.23 O ATOM 0 H GLU A 37 -13.430 5.838 -10.027 1.00 51.12 H new ATOM 0 HA GLU A 37 -14.253 4.426 -7.557 1.00 24.34 H new ATOM 0 HB2 GLU A 37 -14.665 3.868 -10.379 1.00 63.33 H new ATOM 0 HB3 GLU A 37 -13.708 2.592 -9.654 1.00 63.33 H new ATOM 0 HG2 GLU A 37 -15.625 2.839 -7.752 1.00 3.10 H new ATOM 0 HG3 GLU A 37 -16.540 3.371 -9.149 1.00 3.10 H new ATOM 581 N ALA A 38 -11.384 4.986 -8.474 1.00 1.43 N ATOM 582 CA ALA A 38 -9.959 4.745 -8.285 1.00 42.54 C ATOM 583 C ALA A 38 -9.568 4.885 -6.818 1.00 45.12 C ATOM 584 O ALA A 38 -10.240 5.553 -6.032 1.00 72.42 O ATOM 585 CB ALA A 38 -9.144 5.701 -9.144 1.00 40.32 C ATOM 0 H ALA A 38 -11.617 5.939 -8.755 1.00 1.43 H new ATOM 0 HA ALA A 38 -9.744 3.722 -8.595 1.00 42.54 H new ATOM 0 HB1 ALA A 38 -8.082 5.510 -8.993 1.00 40.32 H new ATOM 0 HB2 ALA A 38 -9.394 5.550 -10.194 1.00 40.32 H new ATOM 0 HB3 ALA A 38 -9.372 6.729 -8.861 1.00 40.32 H new ATOM 591 N PRO A 39 -8.454 4.241 -6.438 1.00 34.42 N ATOM 592 CA PRO A 39 -7.949 4.278 -5.062 1.00 61.03 C ATOM 593 C PRO A 39 -7.402 5.650 -4.683 1.00 20.23 C ATOM 594 O PRO A 39 -7.120 6.479 -5.549 1.00 63.53 O ATOM 595 CB PRO A 39 -6.826 3.238 -5.069 1.00 20.33 C ATOM 596 CG PRO A 39 -6.378 3.173 -6.488 1.00 5.21 C ATOM 597 CD PRO A 39 -7.603 3.426 -7.321 1.00 52.44 C ATOM 0 HA PRO A 39 -8.734 4.073 -4.334 1.00 61.03 H new ATOM 0 HB2 PRO A 39 -6.010 3.532 -4.409 1.00 20.33 H new ATOM 0 HB3 PRO A 39 -7.182 2.268 -4.722 1.00 20.33 H new ATOM 0 HG2 PRO A 39 -5.609 3.919 -6.689 1.00 5.21 H new ATOM 0 HG3 PRO A 39 -5.945 2.199 -6.716 1.00 5.21 H new ATOM 0 HD2 PRO A 39 -7.360 3.953 -8.243 1.00 52.44 H new ATOM 0 HD3 PRO A 39 -8.094 2.496 -7.606 1.00 52.44 H new ATOM 605 N LEU A 40 -7.254 5.884 -3.383 1.00 71.35 N ATOM 606 CA LEU A 40 -6.740 7.156 -2.889 1.00 2.12 C ATOM 607 C LEU A 40 -5.284 7.351 -3.299 1.00 4.32 C ATOM 608 O LEU A 40 -4.803 8.480 -3.408 1.00 54.10 O ATOM 609 CB LEU A 40 -6.866 7.222 -1.366 1.00 10.22 C ATOM 610 CG LEU A 40 -6.020 6.221 -0.578 1.00 73.01 C ATOM 611 CD1 LEU A 40 -5.190 6.936 0.476 1.00 0.51 C ATOM 612 CD2 LEU A 40 -6.906 5.164 0.065 1.00 13.10 C ATOM 0 H LEU A 40 -7.483 5.209 -2.653 1.00 71.35 H new ATOM 0 HA LEU A 40 -7.333 7.956 -3.332 1.00 2.12 H new ATOM 0 HB2 LEU A 40 -6.598 8.228 -1.043 1.00 10.22 H new ATOM 0 HB3 LEU A 40 -7.912 7.071 -1.101 1.00 10.22 H new ATOM 0 HG LEU A 40 -5.340 5.725 -1.271 1.00 73.01 H new ATOM 0 HD11 LEU A 40 -4.595 6.207 1.026 1.00 0.51 H new ATOM 0 HD12 LEU A 40 -4.528 7.654 -0.008 1.00 0.51 H new ATOM 0 HD13 LEU A 40 -5.851 7.460 1.166 1.00 0.51 H new ATOM 0 HD21 LEU A 40 -6.287 4.460 0.622 1.00 13.10 H new ATOM 0 HD22 LEU A 40 -7.610 5.644 0.744 1.00 13.10 H new ATOM 0 HD23 LEU A 40 -7.456 4.630 -0.710 1.00 13.10 H new ATOM 624 N THR A 41 -4.585 6.244 -3.527 1.00 22.41 N ATOM 625 CA THR A 41 -3.184 6.292 -3.926 1.00 41.31 C ATOM 626 C THR A 41 -2.989 7.196 -5.138 1.00 4.10 C ATOM 627 O THR A 41 -1.936 7.813 -5.301 1.00 33.11 O ATOM 628 CB THR A 41 -2.644 4.888 -4.255 1.00 74.42 C ATOM 629 OG1 THR A 41 -3.544 3.889 -3.761 1.00 3.05 O ATOM 630 CG2 THR A 41 -1.265 4.681 -3.647 1.00 53.31 C ATOM 0 H THR A 41 -4.967 5.302 -3.442 1.00 22.41 H new ATOM 0 HA THR A 41 -2.628 6.697 -3.080 1.00 41.31 H new ATOM 0 HB THR A 41 -2.562 4.799 -5.338 1.00 74.42 H new ATOM 0 HG1 THR A 41 -3.195 2.999 -3.976 1.00 3.05 H new ATOM 0 HG21 THR A 41 -0.905 3.682 -3.893 1.00 53.31 H new ATOM 0 HG22 THR A 41 -0.576 5.424 -4.047 1.00 53.31 H new ATOM 0 HG23 THR A 41 -1.325 4.788 -2.564 1.00 53.31 H new ATOM 638 N ALA A 42 -4.010 7.270 -5.986 1.00 5.34 N ATOM 639 CA ALA A 42 -3.951 8.101 -7.182 1.00 5.44 C ATOM 640 C ALA A 42 -3.724 9.566 -6.822 1.00 21.12 C ATOM 641 O ALA A 42 -2.953 10.264 -7.480 1.00 13.34 O ATOM 642 CB ALA A 42 -5.227 7.947 -7.995 1.00 11.21 C ATOM 0 H ALA A 42 -4.888 6.764 -5.867 1.00 5.34 H new ATOM 0 HA ALA A 42 -3.107 7.767 -7.785 1.00 5.44 H new ATOM 0 HB1 ALA A 42 -5.169 8.573 -8.885 1.00 11.21 H new ATOM 0 HB2 ALA A 42 -5.346 6.905 -8.292 1.00 11.21 H new ATOM 0 HB3 ALA A 42 -6.082 8.252 -7.392 1.00 11.21 H new ATOM 648 N ALA A 43 -4.401 10.025 -5.774 1.00 62.41 N ATOM 649 CA ALA A 43 -4.272 11.406 -5.327 1.00 21.25 C ATOM 650 C ALA A 43 -2.965 11.618 -4.571 1.00 4.22 C ATOM 651 O ALA A 43 -2.414 12.720 -4.559 1.00 52.11 O ATOM 652 CB ALA A 43 -5.457 11.790 -4.453 1.00 51.43 C ATOM 0 H ALA A 43 -5.044 9.460 -5.219 1.00 62.41 H new ATOM 0 HA ALA A 43 -4.260 12.048 -6.208 1.00 21.25 H new ATOM 0 HB1 ALA A 43 -5.348 12.824 -4.126 1.00 51.43 H new ATOM 0 HB2 ALA A 43 -6.379 11.685 -5.024 1.00 51.43 H new ATOM 0 HB3 ALA A 43 -5.494 11.136 -3.582 1.00 51.43 H new ATOM 658 N LEU A 44 -2.472 10.558 -3.940 1.00 73.31 N ATOM 659 CA LEU A 44 -1.229 10.628 -3.181 1.00 2.24 C ATOM 660 C LEU A 44 -0.112 11.239 -4.020 1.00 43.33 C ATOM 661 O LEU A 44 0.803 11.870 -3.490 1.00 53.30 O ATOM 662 CB LEU A 44 -0.820 9.233 -2.704 1.00 5.50 C ATOM 663 CG LEU A 44 -0.436 9.114 -1.229 1.00 2.03 C ATOM 664 CD1 LEU A 44 -1.409 8.204 -0.496 1.00 31.20 C ATOM 665 CD2 LEU A 44 0.989 8.598 -1.088 1.00 71.12 C ATOM 0 H LEU A 44 -2.915 9.639 -3.939 1.00 73.31 H new ATOM 0 HA LEU A 44 -1.397 11.267 -2.314 1.00 2.24 H new ATOM 0 HB2 LEU A 44 -1.644 8.547 -2.901 1.00 5.50 H new ATOM 0 HB3 LEU A 44 0.024 8.898 -3.307 1.00 5.50 H new ATOM 0 HG LEU A 44 -0.488 10.105 -0.779 1.00 2.03 H new ATOM 0 HD11 LEU A 44 -1.120 8.131 0.552 1.00 31.20 H new ATOM 0 HD12 LEU A 44 -2.416 8.615 -0.567 1.00 31.20 H new ATOM 0 HD13 LEU A 44 -1.390 7.212 -0.947 1.00 31.20 H new ATOM 0 HD21 LEU A 44 1.245 8.520 -0.031 1.00 71.12 H new ATOM 0 HD22 LEU A 44 1.068 7.616 -1.554 1.00 71.12 H new ATOM 0 HD23 LEU A 44 1.676 9.288 -1.577 1.00 71.12 H new ATOM 677 N ARG A 45 -0.194 11.049 -5.333 1.00 43.31 N ATOM 678 CA ARG A 45 0.810 11.583 -6.246 1.00 73.44 C ATOM 679 C ARG A 45 1.031 13.072 -6.002 1.00 15.53 C ATOM 680 O ARG A 45 2.152 13.510 -5.743 1.00 13.32 O ATOM 681 CB ARG A 45 0.384 11.351 -7.697 1.00 61.24 C ATOM 682 CG ARG A 45 1.549 11.108 -8.643 1.00 24.14 C ATOM 683 CD ARG A 45 1.134 11.281 -10.095 1.00 51.11 C ATOM 684 NE ARG A 45 0.129 10.301 -10.497 1.00 54.15 N ATOM 685 CZ ARG A 45 -0.567 10.383 -11.626 1.00 13.21 C ATOM 686 NH1 ARG A 45 -0.368 11.394 -12.460 1.00 3.52 N ATOM 687 NH2 ARG A 45 -1.465 9.452 -11.922 1.00 61.05 N ATOM 0 H ARG A 45 -0.945 10.530 -5.788 1.00 43.31 H new ATOM 0 HA ARG A 45 1.748 11.060 -6.061 1.00 73.44 H new ATOM 0 HB2 ARG A 45 -0.290 10.495 -7.736 1.00 61.24 H new ATOM 0 HB3 ARG A 45 -0.180 12.217 -8.044 1.00 61.24 H new ATOM 0 HG2 ARG A 45 2.358 11.800 -8.410 1.00 24.14 H new ATOM 0 HG3 ARG A 45 1.937 10.101 -8.492 1.00 24.14 H new ATOM 0 HD2 ARG A 45 0.739 12.286 -10.242 1.00 51.11 H new ATOM 0 HD3 ARG A 45 2.010 11.186 -10.736 1.00 51.11 H new ATOM 0 HE ARG A 45 -0.048 9.510 -9.877 1.00 54.15 H new ATOM 0 HH11 ARG A 45 0.321 12.112 -12.236 1.00 3.52 H new ATOM 0 HH12 ARG A 45 -0.904 11.454 -13.326 1.00 3.52 H new ATOM 0 HH21 ARG A 45 -1.621 8.673 -11.283 1.00 61.05 H new ATOM 0 HH22 ARG A 45 -1.999 9.516 -12.789 1.00 61.05 H new ATOM 701 N PHE A 46 -0.046 13.847 -6.086 1.00 73.40 N ATOM 702 CA PHE A 46 0.030 15.288 -5.875 1.00 74.43 C ATOM 703 C PHE A 46 -0.105 15.628 -4.394 1.00 44.51 C ATOM 704 O PHE A 46 0.481 16.598 -3.914 1.00 0.51 O ATOM 705 CB PHE A 46 -1.063 16.000 -6.675 1.00 73.41 C ATOM 706 CG PHE A 46 -0.634 16.390 -8.061 1.00 33.23 C ATOM 707 CD1 PHE A 46 0.492 17.172 -8.257 1.00 24.11 C ATOM 708 CD2 PHE A 46 -1.358 15.975 -9.167 1.00 33.01 C ATOM 709 CE1 PHE A 46 0.890 17.532 -9.531 1.00 2.43 C ATOM 710 CE2 PHE A 46 -0.965 16.332 -10.443 1.00 32.01 C ATOM 711 CZ PHE A 46 0.160 17.113 -10.625 1.00 33.31 C ATOM 0 H PHE A 46 -0.982 13.501 -6.299 1.00 73.40 H new ATOM 0 HA PHE A 46 1.005 15.630 -6.221 1.00 74.43 H new ATOM 0 HB2 PHE A 46 -1.935 15.349 -6.743 1.00 73.41 H new ATOM 0 HB3 PHE A 46 -1.374 16.894 -6.134 1.00 73.41 H new ATOM 0 HD1 PHE A 46 1.066 17.504 -7.405 1.00 24.11 H new ATOM 0 HD2 PHE A 46 -2.239 15.366 -9.030 1.00 33.01 H new ATOM 0 HE1 PHE A 46 1.771 18.141 -9.670 1.00 2.43 H new ATOM 0 HE2 PHE A 46 -1.537 16.001 -11.297 1.00 32.01 H new ATOM 0 HZ PHE A 46 0.468 17.395 -11.621 1.00 33.31 H new ATOM 721 N ALA A 47 -0.881 14.824 -3.676 1.00 24.53 N ATOM 722 CA ALA A 47 -1.091 15.038 -2.249 1.00 53.15 C ATOM 723 C ALA A 47 0.224 14.958 -1.482 1.00 41.22 C ATOM 724 O ALA A 47 0.405 15.634 -0.470 1.00 10.11 O ATOM 725 CB ALA A 47 -2.085 14.023 -1.704 1.00 51.22 C ATOM 0 H ALA A 47 -1.375 14.018 -4.059 1.00 24.53 H new ATOM 0 HA ALA A 47 -1.499 16.039 -2.113 1.00 53.15 H new ATOM 0 HB1 ALA A 47 -2.232 14.194 -0.638 1.00 51.22 H new ATOM 0 HB2 ALA A 47 -3.037 14.131 -2.224 1.00 51.22 H new ATOM 0 HB3 ALA A 47 -1.699 13.016 -1.860 1.00 51.22 H new ATOM 731 N ALA A 48 1.139 14.127 -1.971 1.00 2.35 N ATOM 732 CA ALA A 48 2.438 13.960 -1.331 1.00 43.41 C ATOM 733 C ALA A 48 3.234 15.261 -1.356 1.00 15.43 C ATOM 734 O ALA A 48 4.085 15.494 -0.499 1.00 3.51 O ATOM 735 CB ALA A 48 3.222 12.848 -2.011 1.00 21.51 C ATOM 0 H ALA A 48 1.005 13.559 -2.808 1.00 2.35 H new ATOM 0 HA ALA A 48 2.269 13.687 -0.289 1.00 43.41 H new ATOM 0 HB1 ALA A 48 4.190 12.734 -1.523 1.00 21.51 H new ATOM 0 HB2 ALA A 48 2.666 11.913 -1.937 1.00 21.51 H new ATOM 0 HB3 ALA A 48 3.372 13.099 -3.061 1.00 21.51 H new ATOM 741 N GLU A 49 2.950 16.105 -2.344 1.00 33.54 N ATOM 742 CA GLU A 49 3.641 17.381 -2.479 1.00 53.34 C ATOM 743 C GLU A 49 3.047 18.424 -1.537 1.00 53.42 C ATOM 744 O GLU A 49 3.763 19.268 -0.999 1.00 55.21 O ATOM 745 CB GLU A 49 3.561 17.879 -3.924 1.00 73.32 C ATOM 746 CG GLU A 49 3.833 16.797 -4.956 1.00 54.22 C ATOM 747 CD GLU A 49 4.360 17.357 -6.263 1.00 0.10 C ATOM 748 OE1 GLU A 49 3.748 17.081 -7.316 1.00 71.10 O ATOM 749 OE2 GLU A 49 5.384 18.071 -6.233 1.00 22.30 O ATOM 0 H GLU A 49 2.247 15.928 -3.061 1.00 33.54 H new ATOM 0 HA GLU A 49 4.687 17.229 -2.212 1.00 53.34 H new ATOM 0 HB2 GLU A 49 2.570 18.297 -4.101 1.00 73.32 H new ATOM 0 HB3 GLU A 49 4.278 18.688 -4.061 1.00 73.32 H new ATOM 0 HG2 GLU A 49 4.555 16.088 -4.552 1.00 54.22 H new ATOM 0 HG3 GLU A 49 2.914 16.243 -5.147 1.00 54.22 H new ATOM 756 N GLU A 50 1.733 18.359 -1.344 1.00 0.00 N ATOM 757 CA GLU A 50 1.043 19.299 -0.468 1.00 73.42 C ATOM 758 C GLU A 50 1.548 19.177 0.967 1.00 61.05 C ATOM 759 O GLU A 50 1.790 20.180 1.638 1.00 22.14 O ATOM 760 CB GLU A 50 -0.467 19.055 -0.511 1.00 73.11 C ATOM 761 CG GLU A 50 -1.074 19.238 -1.892 1.00 34.21 C ATOM 762 CD GLU A 50 -2.579 19.422 -1.848 1.00 21.20 C ATOM 763 OE1 GLU A 50 -3.034 20.585 -1.846 1.00 61.03 O ATOM 764 OE2 GLU A 50 -3.301 18.404 -1.815 1.00 30.30 O ATOM 0 H GLU A 50 1.126 17.666 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 50 1.252 20.308 -0.824 1.00 73.42 H new ATOM 0 HB2 GLU A 50 -0.673 18.042 -0.164 1.00 73.11 H new ATOM 0 HB3 GLU A 50 -0.957 19.736 0.185 1.00 73.11 H new ATOM 0 HG2 GLU A 50 -0.620 20.104 -2.373 1.00 34.21 H new ATOM 0 HG3 GLU A 50 -0.836 18.371 -2.507 1.00 34.21 H new ATOM 771 N PHE A 51 1.704 17.941 1.430 1.00 44.33 N ATOM 772 CA PHE A 51 2.179 17.687 2.785 1.00 43.21 C ATOM 773 C PHE A 51 3.693 17.498 2.804 1.00 23.31 C ATOM 774 O PHE A 51 4.335 17.641 3.844 1.00 34.42 O ATOM 775 CB PHE A 51 1.492 16.450 3.365 1.00 33.43 C ATOM 776 CG PHE A 51 0.734 16.724 4.633 1.00 54.14 C ATOM 777 CD1 PHE A 51 1.405 17.045 5.801 1.00 11.14 C ATOM 778 CD2 PHE A 51 -0.650 16.660 4.655 1.00 13.52 C ATOM 779 CE1 PHE A 51 0.710 17.299 6.969 1.00 24.52 C ATOM 780 CE2 PHE A 51 -1.350 16.913 5.820 1.00 52.42 C ATOM 781 CZ PHE A 51 -0.669 17.232 6.979 1.00 70.55 C ATOM 0 H PHE A 51 1.508 17.100 0.887 1.00 44.33 H new ATOM 0 HA PHE A 51 1.931 18.553 3.399 1.00 43.21 H new ATOM 0 HB2 PHE A 51 0.806 16.043 2.622 1.00 33.43 H new ATOM 0 HB3 PHE A 51 2.243 15.684 3.558 1.00 33.43 H new ATOM 0 HD1 PHE A 51 2.484 17.098 5.800 1.00 11.14 H new ATOM 0 HD2 PHE A 51 -1.188 16.410 3.752 1.00 13.52 H new ATOM 0 HE1 PHE A 51 1.245 17.550 7.873 1.00 24.52 H new ATOM 0 HE2 PHE A 51 -2.429 16.861 5.824 1.00 52.42 H new ATOM 0 HZ PHE A 51 -1.214 17.428 7.890 1.00 70.55 H new ATOM 791 N GLY A 52 4.258 17.174 1.645 1.00 41.03 N ATOM 792 CA GLY A 52 5.692 16.969 1.550 1.00 54.25 C ATOM 793 C GLY A 52 6.145 15.705 2.252 1.00 75.42 C ATOM 794 O GLY A 52 7.343 15.470 2.410 1.00 71.33 O ATOM 0 H GLY A 52 3.749 17.050 0.770 1.00 41.03 H new ATOM 0 HA2 GLY A 52 5.980 16.921 0.500 1.00 54.25 H new ATOM 0 HA3 GLY A 52 6.208 17.826 1.983 1.00 54.25 H new ATOM 798 N ILE A 53 5.185 14.889 2.676 1.00 51.13 N ATOM 799 CA ILE A 53 5.492 13.642 3.365 1.00 0.35 C ATOM 800 C ILE A 53 4.445 12.575 3.064 1.00 2.25 C ATOM 801 O ILE A 53 3.564 12.774 2.229 1.00 60.13 O ATOM 802 CB ILE A 53 5.576 13.848 4.890 1.00 74.05 C ATOM 803 CG1 ILE A 53 4.197 14.197 5.455 1.00 25.23 C ATOM 804 CG2 ILE A 53 6.582 14.939 5.222 1.00 25.13 C ATOM 805 CD1 ILE A 53 4.194 14.401 6.954 1.00 12.51 C ATOM 0 H ILE A 53 4.189 15.069 2.554 1.00 51.13 H new ATOM 0 HA ILE A 53 6.462 13.309 2.997 1.00 0.35 H new ATOM 0 HB ILE A 53 5.912 12.919 5.350 1.00 74.05 H new ATOM 0 HG12 ILE A 53 3.834 15.104 4.972 1.00 25.23 H new ATOM 0 HG13 ILE A 53 3.497 13.400 5.203 1.00 25.23 H new ATOM 0 HG21 ILE A 53 6.630 15.073 6.303 1.00 25.13 H new ATOM 0 HG22 ILE A 53 7.565 14.654 4.848 1.00 25.13 H new ATOM 0 HG23 ILE A 53 6.273 15.874 4.754 1.00 25.13 H new ATOM 0 HD11 ILE A 53 3.185 14.645 7.286 1.00 12.51 H new ATOM 0 HD12 ILE A 53 4.527 13.487 7.446 1.00 12.51 H new ATOM 0 HD13 ILE A 53 4.868 15.218 7.211 1.00 12.51 H new ATOM 817 N ALA A 54 4.547 11.443 3.753 1.00 65.02 N ATOM 818 CA ALA A 54 3.607 10.345 3.562 1.00 3.52 C ATOM 819 C ALA A 54 3.348 9.610 4.873 1.00 44.51 C ATOM 820 O ALA A 54 4.024 8.632 5.191 1.00 61.12 O ATOM 821 CB ALA A 54 4.129 9.381 2.508 1.00 63.51 C ATOM 0 H ALA A 54 5.271 11.262 4.448 1.00 65.02 H new ATOM 0 HA ALA A 54 2.661 10.764 3.218 1.00 3.52 H new ATOM 0 HB1 ALA A 54 3.417 8.566 2.376 1.00 63.51 H new ATOM 0 HB2 ALA A 54 4.256 9.909 1.563 1.00 63.51 H new ATOM 0 HB3 ALA A 54 5.089 8.976 2.829 1.00 63.51 H new ATOM 827 N SER A 55 2.367 10.089 5.630 1.00 34.04 N ATOM 828 CA SER A 55 2.022 9.480 6.910 1.00 74.45 C ATOM 829 C SER A 55 0.856 10.214 7.564 1.00 14.13 C ATOM 830 O SER A 55 -0.274 9.726 7.573 1.00 34.33 O ATOM 831 CB SER A 55 3.233 9.486 7.844 1.00 34.34 C ATOM 832 OG SER A 55 3.842 8.207 7.898 1.00 40.51 O ATOM 0 H SER A 55 1.797 10.897 5.380 1.00 34.04 H new ATOM 0 HA SER A 55 1.721 8.449 6.725 1.00 74.45 H new ATOM 0 HB2 SER A 55 3.958 10.223 7.500 1.00 34.34 H new ATOM 0 HB3 SER A 55 2.923 9.787 8.845 1.00 34.34 H new ATOM 0 HG SER A 55 4.088 7.923 6.993 1.00 40.51 H new ATOM 838 N VAL A 56 1.139 11.392 8.112 1.00 31.41 N ATOM 839 CA VAL A 56 0.115 12.195 8.769 1.00 51.53 C ATOM 840 C VAL A 56 -0.877 12.755 7.756 1.00 54.42 C ATOM 841 O VAL A 56 -2.003 13.111 8.106 1.00 40.15 O ATOM 842 CB VAL A 56 0.738 13.361 9.559 1.00 11.41 C ATOM 843 CG1 VAL A 56 1.759 12.843 10.561 1.00 74.24 C ATOM 844 CG2 VAL A 56 1.373 14.368 8.611 1.00 14.05 C ATOM 0 H VAL A 56 2.069 11.811 8.114 1.00 31.41 H new ATOM 0 HA VAL A 56 -0.409 11.536 9.461 1.00 51.53 H new ATOM 0 HB VAL A 56 -0.054 13.866 10.112 1.00 11.41 H new ATOM 0 HG11 VAL A 56 2.188 13.681 11.110 1.00 74.24 H new ATOM 0 HG12 VAL A 56 1.271 12.164 11.260 1.00 74.24 H new ATOM 0 HG13 VAL A 56 2.551 12.312 10.032 1.00 74.24 H new ATOM 0 HG21 VAL A 56 1.808 15.185 9.186 1.00 14.05 H new ATOM 0 HG22 VAL A 56 2.154 13.878 8.029 1.00 14.05 H new ATOM 0 HG23 VAL A 56 0.613 14.763 7.938 1.00 14.05 H new ATOM 854 N ASP A 57 -0.453 12.830 6.499 1.00 1.44 N ATOM 855 CA ASP A 57 -1.305 13.346 5.434 1.00 62.21 C ATOM 856 C ASP A 57 -2.528 12.455 5.237 1.00 44.10 C ATOM 857 O ASP A 57 -3.515 12.865 4.626 1.00 25.11 O ATOM 858 CB ASP A 57 -0.517 13.448 4.127 1.00 54.43 C ATOM 859 CG ASP A 57 -0.196 12.090 3.536 1.00 23.44 C ATOM 860 OD1 ASP A 57 -0.109 11.987 2.295 1.00 50.24 O ATOM 861 OD2 ASP A 57 -0.030 11.129 4.316 1.00 22.32 O ATOM 0 H ASP A 57 0.476 12.540 6.193 1.00 1.44 H new ATOM 0 HA ASP A 57 -1.645 14.340 5.723 1.00 62.21 H new ATOM 0 HB2 ASP A 57 -1.091 14.029 3.405 1.00 54.43 H new ATOM 0 HB3 ASP A 57 0.411 13.991 4.307 1.00 54.43 H new ATOM 866 N SER A 58 -2.454 11.234 5.758 1.00 52.43 N ATOM 867 CA SER A 58 -3.553 10.284 5.635 1.00 71.30 C ATOM 868 C SER A 58 -4.820 10.831 6.286 1.00 61.32 C ATOM 869 O SER A 58 -5.933 10.472 5.901 1.00 4.41 O ATOM 870 CB SER A 58 -3.173 8.947 6.276 1.00 52.34 C ATOM 871 OG SER A 58 -3.965 7.891 5.761 1.00 54.34 O ATOM 0 H SER A 58 -1.645 10.880 6.269 1.00 52.43 H new ATOM 0 HA SER A 58 -3.749 10.128 4.574 1.00 71.30 H new ATOM 0 HB2 SER A 58 -2.119 8.738 6.092 1.00 52.34 H new ATOM 0 HB3 SER A 58 -3.302 9.009 7.357 1.00 52.34 H new ATOM 0 HG SER A 58 -3.702 7.048 6.185 1.00 54.34 H new ATOM 877 N MET A 59 -4.641 11.701 7.274 1.00 34.12 N ATOM 878 CA MET A 59 -5.770 12.299 7.978 1.00 23.15 C ATOM 879 C MET A 59 -5.380 13.642 8.587 1.00 55.51 C ATOM 880 O MET A 59 -5.099 13.735 9.781 1.00 15.24 O ATOM 881 CB MET A 59 -6.272 11.356 9.074 1.00 55.44 C ATOM 882 CG MET A 59 -5.170 10.840 9.984 1.00 72.20 C ATOM 883 SD MET A 59 -5.701 10.689 11.701 1.00 42.23 S ATOM 884 CE MET A 59 -4.847 9.192 12.189 1.00 53.03 C ATOM 0 H MET A 59 -3.726 12.008 7.605 1.00 34.12 H new ATOM 0 HA MET A 59 -6.570 12.465 7.257 1.00 23.15 H new ATOM 0 HB2 MET A 59 -7.016 11.877 9.677 1.00 55.44 H new ATOM 0 HB3 MET A 59 -6.775 10.508 8.610 1.00 55.44 H new ATOM 0 HG2 MET A 59 -4.833 9.867 9.625 1.00 72.20 H new ATOM 0 HG3 MET A 59 -4.315 11.513 9.930 1.00 72.20 H new ATOM 0 HE1 MET A 59 -5.090 8.956 13.225 1.00 53.03 H new ATOM 0 HE2 MET A 59 -5.159 8.369 11.546 1.00 53.03 H new ATOM 0 HE3 MET A 59 -3.771 9.339 12.093 1.00 53.03 H new ATOM 894 N ALA A 60 -5.366 14.681 7.757 1.00 21.35 N ATOM 895 CA ALA A 60 -5.013 16.019 8.215 1.00 62.12 C ATOM 896 C ALA A 60 -5.762 17.085 7.422 1.00 5.25 C ATOM 897 O ALA A 60 -5.174 17.788 6.601 1.00 51.22 O ATOM 898 CB ALA A 60 -3.511 16.235 8.105 1.00 23.23 C ATOM 0 H ALA A 60 -5.595 14.621 6.765 1.00 21.35 H new ATOM 0 HA ALA A 60 -5.306 16.108 9.261 1.00 62.12 H new ATOM 0 HB1 ALA A 60 -3.261 17.238 8.450 1.00 23.23 H new ATOM 0 HB2 ALA A 60 -2.992 15.500 8.720 1.00 23.23 H new ATOM 0 HB3 ALA A 60 -3.202 16.122 7.066 1.00 23.23 H new ATOM 904 N ALA A 61 -7.061 17.199 7.674 1.00 14.34 N ATOM 905 CA ALA A 61 -7.890 18.181 6.985 1.00 21.14 C ATOM 906 C ALA A 61 -9.166 18.469 7.769 1.00 41.30 C ATOM 907 O ALA A 61 -9.668 17.612 8.497 1.00 64.00 O ATOM 908 CB ALA A 61 -8.227 17.696 5.583 1.00 35.54 C ATOM 0 H ALA A 61 -7.563 16.624 8.350 1.00 14.34 H new ATOM 0 HA ALA A 61 -7.324 19.110 6.910 1.00 21.14 H new ATOM 0 HB1 ALA A 61 -8.846 18.439 5.080 1.00 35.54 H new ATOM 0 HB2 ALA A 61 -7.307 17.548 5.018 1.00 35.54 H new ATOM 0 HB3 ALA A 61 -8.770 16.753 5.645 1.00 35.54 H new ATOM 914 N THR A 62 -9.687 19.683 7.616 1.00 33.33 N ATOM 915 CA THR A 62 -10.904 20.085 8.311 1.00 63.11 C ATOM 916 C THR A 62 -11.770 20.978 7.430 1.00 33.51 C ATOM 917 O THR A 62 -11.263 21.711 6.581 1.00 1.20 O ATOM 918 CB THR A 62 -10.583 20.831 9.620 1.00 63.31 C ATOM 919 OG1 THR A 62 -9.505 21.750 9.408 1.00 33.14 O ATOM 920 CG2 THR A 62 -10.212 19.852 10.724 1.00 64.35 C ATOM 0 H THR A 62 -9.285 20.404 7.017 1.00 33.33 H new ATOM 0 HA THR A 62 -11.450 19.172 8.547 1.00 63.11 H new ATOM 0 HB THR A 62 -11.473 21.380 9.927 1.00 63.31 H new ATOM 0 HG1 THR A 62 -9.308 22.222 10.244 1.00 33.14 H new ATOM 0 HG21 THR A 62 -9.990 20.402 11.638 1.00 64.35 H new ATOM 0 HG22 THR A 62 -11.045 19.172 10.903 1.00 64.35 H new ATOM 0 HG23 THR A 62 -9.335 19.279 10.423 1.00 64.35 H new ATOM 928 N THR A 63 -13.082 20.912 7.637 1.00 21.43 N ATOM 929 CA THR A 63 -14.020 21.714 6.862 1.00 65.44 C ATOM 930 C THR A 63 -14.192 23.100 7.471 1.00 43.43 C ATOM 931 O THR A 63 -13.835 23.331 8.626 1.00 15.15 O ATOM 932 CB THR A 63 -15.398 21.032 6.767 1.00 3.12 C ATOM 933 OG1 THR A 63 -15.238 19.610 6.711 1.00 12.25 O ATOM 934 CG2 THR A 63 -16.155 21.511 5.538 1.00 11.10 C ATOM 0 H THR A 63 -13.519 20.311 8.336 1.00 21.43 H new ATOM 0 HA THR A 63 -13.601 21.810 5.860 1.00 65.44 H new ATOM 0 HB THR A 63 -15.972 21.298 7.654 1.00 3.12 H new ATOM 0 HG1 THR A 63 -15.866 19.185 7.332 1.00 12.25 H new ATOM 0 HG21 THR A 63 -17.125 21.016 5.492 1.00 11.10 H new ATOM 0 HG22 THR A 63 -16.301 22.590 5.598 1.00 11.10 H new ATOM 0 HG23 THR A 63 -15.583 21.272 4.642 1.00 11.10 H new ATOM 942 N LYS A 64 -14.741 24.022 6.687 1.00 62.24 N ATOM 943 CA LYS A 64 -14.963 25.387 7.149 1.00 61.23 C ATOM 944 C LYS A 64 -15.919 25.410 8.337 1.00 2.12 C ATOM 945 O LYS A 64 -15.894 26.337 9.147 1.00 33.24 O ATOM 946 CB LYS A 64 -15.523 26.247 6.013 1.00 23.24 C ATOM 947 CG LYS A 64 -14.739 26.129 4.718 1.00 43.12 C ATOM 948 CD LYS A 64 -13.274 26.480 4.919 1.00 60.15 C ATOM 949 CE LYS A 64 -12.488 26.354 3.622 1.00 11.53 C ATOM 950 NZ LYS A 64 -12.818 27.447 2.666 1.00 50.03 N ATOM 0 H LYS A 64 -15.041 23.848 5.728 1.00 62.24 H new ATOM 0 HA LYS A 64 -14.005 25.797 7.468 1.00 61.23 H new ATOM 0 HB2 LYS A 64 -16.558 25.961 5.828 1.00 23.24 H new ATOM 0 HB3 LYS A 64 -15.532 27.290 6.329 1.00 23.24 H new ATOM 0 HG2 LYS A 64 -14.821 25.112 4.333 1.00 43.12 H new ATOM 0 HG3 LYS A 64 -15.173 26.790 3.967 1.00 43.12 H new ATOM 0 HD2 LYS A 64 -13.191 27.499 5.298 1.00 60.15 H new ATOM 0 HD3 LYS A 64 -12.841 25.823 5.673 1.00 60.15 H new ATOM 0 HE2 LYS A 64 -11.420 26.373 3.841 1.00 11.53 H new ATOM 0 HE3 LYS A 64 -12.702 25.390 3.160 1.00 11.53 H new ATOM 0 HZ1 LYS A 64 -12.226 27.355 1.816 1.00 50.03 H new ATOM 0 HZ2 LYS A 64 -13.821 27.383 2.398 1.00 50.03 H new ATOM 0 HZ3 LYS A 64 -12.638 28.367 3.116 1.00 50.03 H new ATOM 964 N ASP A 65 -16.758 24.385 8.436 1.00 51.35 N ATOM 965 CA ASP A 65 -17.720 24.287 9.527 1.00 55.12 C ATOM 966 C ASP A 65 -17.112 23.563 10.724 1.00 15.10 C ATOM 967 O ASP A 65 -17.566 23.724 11.856 1.00 55.40 O ATOM 968 CB ASP A 65 -18.981 23.557 9.060 1.00 43.13 C ATOM 969 CG ASP A 65 -20.250 24.298 9.431 1.00 32.02 C ATOM 970 OD1 ASP A 65 -20.478 25.397 8.884 1.00 43.41 O ATOM 971 OD2 ASP A 65 -21.017 23.778 10.268 1.00 23.05 O ATOM 0 H ASP A 65 -16.791 23.610 7.774 1.00 51.35 H new ATOM 0 HA ASP A 65 -17.988 25.298 9.834 1.00 55.12 H new ATOM 0 HB2 ASP A 65 -18.943 23.427 7.978 1.00 43.13 H new ATOM 0 HB3 ASP A 65 -19.004 22.560 9.500 1.00 43.13 H new ATOM 976 N GLY A 66 -16.082 22.763 10.465 1.00 13.31 N ATOM 977 CA GLY A 66 -15.430 22.025 11.531 1.00 43.52 C ATOM 978 C GLY A 66 -15.056 20.616 11.116 1.00 42.42 C ATOM 979 O GLY A 66 -14.018 20.400 10.489 1.00 21.44 O ATOM 0 H GLY A 66 -15.688 22.613 9.536 1.00 13.31 H new ATOM 0 HA2 GLY A 66 -14.532 22.559 11.842 1.00 43.52 H new ATOM 0 HA3 GLY A 66 -16.091 21.982 12.396 1.00 43.52 H new ATOM 983 N THR A 67 -15.903 19.653 11.467 1.00 45.33 N ATOM 984 CA THR A 67 -15.655 18.257 11.129 1.00 5.35 C ATOM 985 C THR A 67 -15.400 18.089 9.636 1.00 40.31 C ATOM 986 O THR A 67 -16.237 18.449 8.809 1.00 31.13 O ATOM 987 CB THR A 67 -16.838 17.361 11.541 1.00 41.21 C ATOM 988 OG1 THR A 67 -17.887 18.161 12.098 1.00 74.45 O ATOM 989 CG2 THR A 67 -16.398 16.316 12.555 1.00 70.55 C ATOM 0 H THR A 67 -16.767 19.815 11.985 1.00 45.33 H new ATOM 0 HA THR A 67 -14.767 17.951 11.682 1.00 5.35 H new ATOM 0 HB THR A 67 -17.205 16.849 10.651 1.00 41.21 H new ATOM 0 HG1 THR A 67 -17.625 18.468 12.991 1.00 74.45 H new ATOM 0 HG21 THR A 67 -17.250 15.695 12.831 1.00 70.55 H new ATOM 0 HG22 THR A 67 -15.620 15.690 12.118 1.00 70.55 H new ATOM 0 HG23 THR A 67 -16.008 16.813 13.444 1.00 70.55 H new ATOM 997 N GLY A 68 -14.238 17.539 9.296 1.00 1.53 N ATOM 998 CA GLY A 68 -13.894 17.333 7.902 1.00 74.05 C ATOM 999 C GLY A 68 -12.823 16.276 7.719 1.00 40.44 C ATOM 1000 O GLY A 68 -11.715 16.578 7.275 1.00 65.42 O ATOM 0 H GLY A 68 -13.529 17.232 9.962 1.00 1.53 H new ATOM 0 HA2 GLY A 68 -14.787 17.040 7.350 1.00 74.05 H new ATOM 0 HA3 GLY A 68 -13.549 18.274 7.473 1.00 74.05 H new ATOM 1004 N ILE A 69 -13.153 15.036 8.062 1.00 3.04 N ATOM 1005 CA ILE A 69 -12.210 13.932 7.934 1.00 44.00 C ATOM 1006 C ILE A 69 -12.760 12.842 7.020 1.00 11.33 C ATOM 1007 O ILE A 69 -13.938 12.494 7.093 1.00 63.13 O ATOM 1008 CB ILE A 69 -11.874 13.316 9.305 1.00 72.20 C ATOM 1009 CG1 ILE A 69 -11.256 14.371 10.225 1.00 34.52 C ATOM 1010 CG2 ILE A 69 -10.932 12.133 9.138 1.00 43.32 C ATOM 1011 CD1 ILE A 69 -11.188 13.943 11.675 1.00 74.35 C ATOM 0 H ILE A 69 -14.066 14.770 8.431 1.00 3.04 H new ATOM 0 HA ILE A 69 -11.300 14.344 7.497 1.00 44.00 H new ATOM 0 HB ILE A 69 -12.797 12.958 9.762 1.00 72.20 H new ATOM 0 HG12 ILE A 69 -10.250 14.602 9.875 1.00 34.52 H new ATOM 0 HG13 ILE A 69 -11.838 15.290 10.153 1.00 34.52 H new ATOM 0 HG21 ILE A 69 -10.704 11.709 10.116 1.00 43.32 H new ATOM 0 HG22 ILE A 69 -11.407 11.375 8.515 1.00 43.32 H new ATOM 0 HG23 ILE A 69 -10.009 12.467 8.663 1.00 43.32 H new ATOM 0 HD11 ILE A 69 -10.739 14.739 12.269 1.00 74.35 H new ATOM 0 HD12 ILE A 69 -12.194 13.740 12.042 1.00 74.35 H new ATOM 0 HD13 ILE A 69 -10.582 13.041 11.760 1.00 74.35 H new ATOM 1023 N ASN A 70 -11.899 12.307 6.162 1.00 64.34 N ATOM 1024 CA ASN A 70 -12.298 11.255 5.234 1.00 72.31 C ATOM 1025 C ASN A 70 -11.899 9.881 5.764 1.00 4.12 C ATOM 1026 O ASN A 70 -10.984 9.744 6.577 1.00 34.13 O ATOM 1027 CB ASN A 70 -11.664 11.488 3.861 1.00 4.34 C ATOM 1028 CG ASN A 70 -10.218 11.936 3.961 1.00 12.24 C ATOM 1029 OD1 ASN A 70 -9.539 11.664 4.952 1.00 73.34 O ATOM 1030 ND2 ASN A 70 -9.741 12.628 2.933 1.00 22.22 N ATOM 0 H ASN A 70 -10.920 12.584 6.090 1.00 64.34 H new ATOM 0 HA ASN A 70 -13.383 11.286 5.135 1.00 72.31 H new ATOM 0 HB2 ASN A 70 -11.717 10.568 3.278 1.00 4.34 H new ATOM 0 HB3 ASN A 70 -12.238 12.241 3.321 1.00 4.34 H new ATOM 0 HD21 ASN A 70 -8.776 12.957 2.944 1.00 22.22 H new ATOM 0 HD22 ASN A 70 -10.340 12.830 2.132 1.00 22.22 H new ATOM 1037 N PRO A 71 -12.599 8.838 5.293 1.00 1.54 N ATOM 1038 CA PRO A 71 -12.335 7.457 5.705 1.00 23.33 C ATOM 1039 C PRO A 71 -11.008 6.935 5.166 1.00 64.53 C ATOM 1040 O PRO A 71 -10.190 6.401 5.914 1.00 25.51 O ATOM 1041 CB PRO A 71 -13.503 6.676 5.098 1.00 11.02 C ATOM 1042 CG PRO A 71 -13.942 7.495 3.934 1.00 41.40 C ATOM 1043 CD PRO A 71 -13.702 8.928 4.322 1.00 11.21 C ATOM 0 HA PRO A 71 -12.259 7.363 6.788 1.00 23.33 H new ATOM 0 HB2 PRO A 71 -13.193 5.679 4.786 1.00 11.02 H new ATOM 0 HB3 PRO A 71 -14.311 6.548 5.819 1.00 11.02 H new ATOM 0 HG2 PRO A 71 -13.379 7.234 3.038 1.00 41.40 H new ATOM 0 HG3 PRO A 71 -14.995 7.322 3.710 1.00 41.40 H new ATOM 0 HD2 PRO A 71 -13.430 9.538 3.460 1.00 11.21 H new ATOM 0 HD3 PRO A 71 -14.591 9.379 4.764 1.00 11.21 H new ATOM 1051 N ALA A 72 -10.801 7.093 3.863 1.00 65.25 N ATOM 1052 CA ALA A 72 -9.571 6.639 3.224 1.00 53.53 C ATOM 1053 C ALA A 72 -9.078 7.656 2.199 1.00 30.52 C ATOM 1054 O ALA A 72 -8.131 7.393 1.458 1.00 31.04 O ATOM 1055 CB ALA A 72 -9.787 5.285 2.565 1.00 54.11 C ATOM 0 H ALA A 72 -11.469 7.532 3.229 1.00 65.25 H new ATOM 0 HA ALA A 72 -8.806 6.538 3.994 1.00 53.53 H new ATOM 0 HB1 ALA A 72 -8.861 4.959 2.092 1.00 54.11 H new ATOM 0 HB2 ALA A 72 -10.086 4.557 3.319 1.00 54.11 H new ATOM 0 HB3 ALA A 72 -10.570 5.368 1.811 1.00 54.11 H new ATOM 1061 N GLN A 73 -9.727 8.815 2.163 1.00 43.01 N ATOM 1062 CA GLN A 73 -9.354 9.869 1.227 1.00 3.54 C ATOM 1063 C GLN A 73 -9.571 9.420 -0.214 1.00 2.32 C ATOM 1064 O GLN A 73 -8.877 9.869 -1.127 1.00 41.10 O ATOM 1065 CB GLN A 73 -7.892 10.271 1.434 1.00 32.55 C ATOM 1066 CG GLN A 73 -7.454 10.242 2.890 1.00 63.42 C ATOM 1067 CD GLN A 73 -6.450 11.329 3.219 1.00 50.14 C ATOM 1068 OE1 GLN A 73 -5.320 11.315 2.731 1.00 65.33 O ATOM 1069 NE2 GLN A 73 -6.859 12.280 4.050 1.00 3.40 N ATOM 0 H GLN A 73 -10.513 9.048 2.770 1.00 43.01 H new ATOM 0 HA GLN A 73 -9.991 10.732 1.419 1.00 3.54 H new ATOM 0 HB2 GLN A 73 -7.254 9.601 0.858 1.00 32.55 H new ATOM 0 HB3 GLN A 73 -7.740 11.275 1.037 1.00 32.55 H new ATOM 0 HG2 GLN A 73 -8.329 10.354 3.531 1.00 63.42 H new ATOM 0 HG3 GLN A 73 -7.017 9.269 3.115 1.00 63.42 H new ATOM 0 HE21 GLN A 73 -7.805 12.252 4.431 1.00 3.40 H new ATOM 0 HE22 GLN A 73 -6.228 13.039 4.307 1.00 3.40 H new ATOM 1078 N THR A 74 -10.539 8.531 -0.412 1.00 64.30 N ATOM 1079 CA THR A 74 -10.846 8.019 -1.742 1.00 13.43 C ATOM 1080 C THR A 74 -11.661 9.028 -2.543 1.00 73.44 C ATOM 1081 O THR A 74 -12.254 9.948 -1.981 1.00 42.24 O ATOM 1082 CB THR A 74 -11.623 6.691 -1.667 1.00 53.50 C ATOM 1083 OG1 THR A 74 -11.158 5.913 -0.559 1.00 1.11 O ATOM 1084 CG2 THR A 74 -11.462 5.897 -2.954 1.00 53.24 C ATOM 0 H THR A 74 -11.124 8.150 0.332 1.00 64.30 H new ATOM 0 HA THR A 74 -9.894 7.845 -2.243 1.00 13.43 H new ATOM 0 HB THR A 74 -12.680 6.921 -1.530 1.00 53.50 H new ATOM 0 HG1 THR A 74 -11.658 5.071 -0.517 1.00 1.11 H new ATOM 0 HG21 THR A 74 -12.019 4.963 -2.878 1.00 53.24 H new ATOM 0 HG22 THR A 74 -11.844 6.480 -3.792 1.00 53.24 H new ATOM 0 HG23 THR A 74 -10.407 5.677 -3.116 1.00 53.24 H new ATOM 1092 N ALA A 75 -11.687 8.847 -3.860 1.00 15.31 N ATOM 1093 CA ALA A 75 -12.433 9.740 -4.739 1.00 4.14 C ATOM 1094 C ALA A 75 -13.921 9.718 -4.409 1.00 74.02 C ATOM 1095 O ALA A 75 -14.570 10.762 -4.350 1.00 24.11 O ATOM 1096 CB ALA A 75 -12.206 9.358 -6.194 1.00 13.31 C ATOM 0 H ALA A 75 -11.200 8.091 -4.341 1.00 15.31 H new ATOM 0 HA ALA A 75 -12.068 10.755 -4.580 1.00 4.14 H new ATOM 0 HB1 ALA A 75 -12.769 10.033 -6.839 1.00 13.31 H new ATOM 0 HB2 ALA A 75 -11.144 9.433 -6.428 1.00 13.31 H new ATOM 0 HB3 ALA A 75 -12.542 8.334 -6.358 1.00 13.31 H new ATOM 1102 N GLY A 76 -14.458 8.520 -4.196 1.00 52.24 N ATOM 1103 CA GLY A 76 -15.867 8.385 -3.877 1.00 32.04 C ATOM 1104 C GLY A 76 -16.214 8.974 -2.524 1.00 2.04 C ATOM 1105 O GLY A 76 -17.275 9.573 -2.353 1.00 60.44 O ATOM 0 H GLY A 76 -13.942 7.641 -4.239 1.00 52.24 H new ATOM 0 HA2 GLY A 76 -16.460 8.878 -4.647 1.00 32.04 H new ATOM 0 HA3 GLY A 76 -16.140 7.330 -3.891 1.00 32.04 H new ATOM 1109 N ASN A 77 -15.317 8.803 -1.558 1.00 22.30 N ATOM 1110 CA ASN A 77 -15.534 9.320 -0.212 1.00 14.20 C ATOM 1111 C ASN A 77 -15.391 10.839 -0.183 1.00 74.14 C ATOM 1112 O ASN A 77 -16.313 11.553 0.212 1.00 30.21 O ATOM 1113 CB ASN A 77 -14.545 8.685 0.767 1.00 11.13 C ATOM 1114 CG ASN A 77 -14.655 7.173 0.801 1.00 63.15 C ATOM 1115 OD1 ASN A 77 -15.752 6.621 0.884 1.00 22.34 O ATOM 1116 ND2 ASN A 77 -13.514 6.496 0.735 1.00 73.31 N ATOM 0 H ASN A 77 -14.433 8.310 -1.683 1.00 22.30 H new ATOM 0 HA ASN A 77 -16.549 9.062 0.090 1.00 14.20 H new ATOM 0 HB2 ASN A 77 -13.530 8.966 0.487 1.00 11.13 H new ATOM 0 HB3 ASN A 77 -14.722 9.082 1.767 1.00 11.13 H new ATOM 0 HD21 ASN A 77 -13.524 5.476 0.752 1.00 73.31 H new ATOM 0 HD22 ASN A 77 -12.628 6.996 0.667 1.00 73.31 H new ATOM 1123 N VAL A 78 -14.229 11.327 -0.606 1.00 72.52 N ATOM 1124 CA VAL A 78 -13.965 12.760 -0.631 1.00 53.20 C ATOM 1125 C VAL A 78 -15.008 13.497 -1.464 1.00 73.42 C ATOM 1126 O VAL A 78 -15.207 14.701 -1.306 1.00 41.44 O ATOM 1127 CB VAL A 78 -12.565 13.063 -1.196 1.00 51.54 C ATOM 1128 CG1 VAL A 78 -11.502 12.289 -0.433 1.00 64.44 C ATOM 1129 CG2 VAL A 78 -12.509 12.740 -2.682 1.00 13.12 C ATOM 0 H VAL A 78 -13.455 10.750 -0.936 1.00 72.52 H new ATOM 0 HA VAL A 78 -14.016 13.109 0.400 1.00 53.20 H new ATOM 0 HB VAL A 78 -12.364 14.127 -1.071 1.00 51.54 H new ATOM 0 HG11 VAL A 78 -10.519 12.516 -0.847 1.00 64.44 H new ATOM 0 HG12 VAL A 78 -11.528 12.575 0.618 1.00 64.44 H new ATOM 0 HG13 VAL A 78 -11.695 11.220 -0.523 1.00 64.44 H new ATOM 0 HG21 VAL A 78 -11.512 12.960 -3.065 1.00 13.12 H new ATOM 0 HG22 VAL A 78 -12.731 11.684 -2.833 1.00 13.12 H new ATOM 0 HG23 VAL A 78 -13.244 13.345 -3.214 1.00 13.12 H new ATOM 1139 N PHE A 79 -15.673 12.764 -2.352 1.00 11.42 N ATOM 1140 CA PHE A 79 -16.696 13.348 -3.211 1.00 74.13 C ATOM 1141 C PHE A 79 -17.757 14.067 -2.383 1.00 34.41 C ATOM 1142 O PHE A 79 -18.006 15.257 -2.571 1.00 45.12 O ATOM 1143 CB PHE A 79 -17.351 12.263 -4.069 1.00 53.21 C ATOM 1144 CG PHE A 79 -18.410 12.789 -4.996 1.00 1.44 C ATOM 1145 CD1 PHE A 79 -19.744 12.780 -4.622 1.00 21.54 C ATOM 1146 CD2 PHE A 79 -18.071 13.294 -6.241 1.00 22.50 C ATOM 1147 CE1 PHE A 79 -20.721 13.263 -5.472 1.00 5.43 C ATOM 1148 CE2 PHE A 79 -19.043 13.779 -7.095 1.00 41.10 C ATOM 1149 CZ PHE A 79 -20.369 13.763 -6.711 1.00 35.25 C ATOM 0 H PHE A 79 -15.521 11.765 -2.495 1.00 11.42 H new ATOM 0 HA PHE A 79 -16.215 14.077 -3.863 1.00 74.13 H new ATOM 0 HB2 PHE A 79 -16.582 11.762 -4.656 1.00 53.21 H new ATOM 0 HB3 PHE A 79 -17.793 11.511 -3.415 1.00 53.21 H new ATOM 0 HD1 PHE A 79 -20.024 12.391 -3.654 1.00 21.54 H new ATOM 0 HD2 PHE A 79 -17.035 13.309 -6.547 1.00 22.50 H new ATOM 0 HE1 PHE A 79 -21.757 13.250 -5.168 1.00 5.43 H new ATOM 0 HE2 PHE A 79 -18.766 14.170 -8.063 1.00 41.10 H new ATOM 0 HZ PHE A 79 -21.130 14.141 -7.378 1.00 35.25 H new ATOM 1159 N MET A 80 -18.380 13.334 -1.466 1.00 33.41 N ATOM 1160 CA MET A 80 -19.414 13.901 -0.608 1.00 32.21 C ATOM 1161 C MET A 80 -18.834 14.315 0.741 1.00 55.22 C ATOM 1162 O MET A 80 -19.443 15.092 1.477 1.00 23.15 O ATOM 1163 CB MET A 80 -20.546 12.892 -0.402 1.00 3.04 C ATOM 1164 CG MET A 80 -21.933 13.503 -0.517 1.00 61.31 C ATOM 1165 SD MET A 80 -23.124 12.737 0.599 1.00 10.01 S ATOM 1166 CE MET A 80 -24.487 13.893 0.484 1.00 12.14 C ATOM 0 H MET A 80 -18.187 12.347 -1.298 1.00 33.41 H new ATOM 0 HA MET A 80 -19.813 14.788 -1.100 1.00 32.21 H new ATOM 0 HB2 MET A 80 -20.448 12.093 -1.137 1.00 3.04 H new ATOM 0 HB3 MET A 80 -20.440 12.435 0.582 1.00 3.04 H new ATOM 0 HG2 MET A 80 -21.875 14.570 -0.303 1.00 61.31 H new ATOM 0 HG3 MET A 80 -22.286 13.403 -1.543 1.00 61.31 H new ATOM 0 HE1 MET A 80 -25.305 13.556 1.121 1.00 12.14 H new ATOM 0 HE2 MET A 80 -24.156 14.879 0.810 1.00 12.14 H new ATOM 0 HE3 MET A 80 -24.831 13.949 -0.549 1.00 12.14 H new ATOM 1176 N LYS A 81 -17.655 13.792 1.059 1.00 52.22 N ATOM 1177 CA LYS A 81 -16.992 14.108 2.318 1.00 11.03 C ATOM 1178 C LYS A 81 -16.286 15.458 2.238 1.00 61.41 C ATOM 1179 O LYS A 81 -16.557 16.359 3.031 1.00 12.33 O ATOM 1180 CB LYS A 81 -15.984 13.014 2.676 1.00 31.53 C ATOM 1181 CG LYS A 81 -15.573 13.020 4.138 1.00 20.14 C ATOM 1182 CD LYS A 81 -16.133 11.818 4.880 1.00 23.23 C ATOM 1183 CE LYS A 81 -17.653 11.804 4.852 1.00 14.14 C ATOM 1184 NZ LYS A 81 -18.228 11.388 6.162 1.00 54.05 N ATOM 0 H LYS A 81 -17.139 13.147 0.461 1.00 52.22 H new ATOM 0 HA LYS A 81 -17.753 14.162 3.097 1.00 11.03 H new ATOM 0 HB2 LYS A 81 -16.413 12.042 2.432 1.00 31.53 H new ATOM 0 HB3 LYS A 81 -15.095 13.134 2.057 1.00 31.53 H new ATOM 0 HG2 LYS A 81 -14.485 13.019 4.211 1.00 20.14 H new ATOM 0 HG3 LYS A 81 -15.924 13.937 4.612 1.00 20.14 H new ATOM 0 HD2 LYS A 81 -15.751 10.901 4.430 1.00 23.23 H new ATOM 0 HD3 LYS A 81 -15.787 11.834 5.914 1.00 23.23 H new ATOM 0 HE2 LYS A 81 -18.021 12.797 4.593 1.00 14.14 H new ATOM 0 HE3 LYS A 81 -17.996 11.124 4.072 1.00 14.14 H new ATOM 0 HZ1 LYS A 81 -19.266 11.391 6.102 1.00 54.05 H new ATOM 0 HZ2 LYS A 81 -17.898 10.430 6.398 1.00 54.05 H new ATOM 0 HZ3 LYS A 81 -17.922 12.052 6.902 1.00 54.05 H new ATOM 1198 N TYR A 82 -15.381 15.590 1.275 1.00 63.01 N ATOM 1199 CA TYR A 82 -14.635 16.830 1.092 1.00 72.52 C ATOM 1200 C TYR A 82 -15.383 17.783 0.165 1.00 0.20 C ATOM 1201 O TYR A 82 -15.260 19.002 0.279 1.00 33.04 O ATOM 1202 CB TYR A 82 -13.246 16.534 0.525 1.00 44.53 C ATOM 1203 CG TYR A 82 -12.221 16.191 1.582 1.00 64.32 C ATOM 1204 CD1 TYR A 82 -12.516 15.288 2.596 1.00 31.10 C ATOM 1205 CD2 TYR A 82 -10.957 16.769 1.567 1.00 35.02 C ATOM 1206 CE1 TYR A 82 -11.583 14.971 3.564 1.00 12.25 C ATOM 1207 CE2 TYR A 82 -10.018 16.457 2.531 1.00 41.05 C ATOM 1208 CZ TYR A 82 -10.335 15.558 3.527 1.00 35.12 C ATOM 1209 OH TYR A 82 -9.403 15.246 4.489 1.00 23.35 O ATOM 0 H TYR A 82 -15.146 14.854 0.609 1.00 63.01 H new ATOM 0 HA TYR A 82 -14.528 17.308 2.066 1.00 72.52 H new ATOM 0 HB2 TYR A 82 -13.320 15.706 -0.180 1.00 44.53 H new ATOM 0 HB3 TYR A 82 -12.900 17.401 -0.037 1.00 44.53 H new ATOM 0 HD1 TYR A 82 -13.492 14.826 2.628 1.00 31.10 H new ATOM 0 HD2 TYR A 82 -10.705 17.474 0.789 1.00 35.02 H new ATOM 0 HE1 TYR A 82 -11.829 14.267 4.346 1.00 12.25 H new ATOM 0 HE2 TYR A 82 -9.040 16.915 2.505 1.00 41.05 H new ATOM 0 HH TYR A 82 -8.503 15.322 4.109 1.00 23.35 H new ATOM 1219 N GLY A 83 -16.160 17.218 -0.754 1.00 62.40 N ATOM 1220 CA GLY A 83 -16.917 18.031 -1.688 1.00 31.45 C ATOM 1221 C GLY A 83 -16.095 19.164 -2.269 1.00 31.21 C ATOM 1222 O GLY A 83 -16.604 20.266 -2.474 1.00 23.55 O ATOM 0 H GLY A 83 -16.279 16.211 -0.868 1.00 62.40 H new ATOM 0 HA2 GLY A 83 -17.285 17.401 -2.498 1.00 31.45 H new ATOM 0 HA3 GLY A 83 -17.790 18.442 -1.182 1.00 31.45 H new ATOM 1226 N GLN A 84 -14.821 18.893 -2.534 1.00 11.24 N ATOM 1227 CA GLN A 84 -13.927 19.900 -3.092 1.00 40.45 C ATOM 1228 C GLN A 84 -14.021 21.206 -2.310 1.00 53.33 C ATOM 1229 O GLN A 84 -14.108 22.285 -2.895 1.00 53.41 O ATOM 1230 CB GLN A 84 -14.261 20.149 -4.565 1.00 24.55 C ATOM 1231 CG GLN A 84 -14.339 18.877 -5.393 1.00 71.43 C ATOM 1232 CD GLN A 84 -14.946 19.109 -6.763 1.00 42.10 C ATOM 1233 OE1 GLN A 84 -14.233 19.209 -7.762 1.00 4.12 O ATOM 1234 NE2 GLN A 84 -16.270 19.196 -6.817 1.00 43.33 N ATOM 0 H GLN A 84 -14.385 17.985 -2.371 1.00 11.24 H new ATOM 0 HA GLN A 84 -12.906 19.525 -3.016 1.00 40.45 H new ATOM 0 HB2 GLN A 84 -15.214 20.674 -4.629 1.00 24.55 H new ATOM 0 HB3 GLN A 84 -13.505 20.807 -4.994 1.00 24.55 H new ATOM 0 HG2 GLN A 84 -13.338 18.461 -5.509 1.00 71.43 H new ATOM 0 HG3 GLN A 84 -14.932 18.135 -4.858 1.00 71.43 H new ATOM 0 HE21 GLN A 84 -16.822 19.107 -5.964 1.00 43.33 H new ATOM 0 HE22 GLN A 84 -16.735 19.352 -7.712 1.00 43.33 H new ATOM 1243 N GLU A 85 -14.004 21.099 -0.985 1.00 41.53 N ATOM 1244 CA GLU A 85 -14.089 22.273 -0.124 1.00 21.11 C ATOM 1245 C GLU A 85 -13.595 21.951 1.284 1.00 55.21 C ATOM 1246 O GLU A 85 -14.370 21.961 2.241 1.00 5.25 O ATOM 1247 CB GLU A 85 -15.529 22.788 -0.066 1.00 64.43 C ATOM 1248 CG GLU A 85 -15.636 24.255 0.312 1.00 3.25 C ATOM 1249 CD GLU A 85 -17.049 24.660 0.686 1.00 64.13 C ATOM 1250 OE1 GLU A 85 -17.599 24.075 1.642 1.00 13.43 O ATOM 1251 OE2 GLU A 85 -17.604 25.560 0.022 1.00 45.03 O ATOM 0 H GLU A 85 -13.932 20.213 -0.485 1.00 41.53 H new ATOM 0 HA GLU A 85 -13.451 23.049 -0.546 1.00 21.11 H new ATOM 0 HB2 GLU A 85 -15.999 22.637 -1.038 1.00 64.43 H new ATOM 0 HB3 GLU A 85 -16.090 22.194 0.656 1.00 64.43 H new ATOM 0 HG2 GLU A 85 -14.970 24.460 1.150 1.00 3.25 H new ATOM 0 HG3 GLU A 85 -15.296 24.867 -0.523 1.00 3.25 H new ATOM 1258 N ILE A 86 -12.303 21.666 1.401 1.00 70.14 N ATOM 1259 CA ILE A 86 -11.706 21.342 2.690 1.00 32.23 C ATOM 1260 C ILE A 86 -10.293 21.905 2.799 1.00 31.41 C ATOM 1261 O ILE A 86 -9.542 21.917 1.824 1.00 53.25 O ATOM 1262 CB ILE A 86 -11.660 19.820 2.923 1.00 41.03 C ATOM 1263 CG1 ILE A 86 -13.077 19.246 2.971 1.00 15.22 C ATOM 1264 CG2 ILE A 86 -10.910 19.503 4.208 1.00 51.10 C ATOM 1265 CD1 ILE A 86 -13.885 19.730 4.155 1.00 21.25 C ATOM 0 H ILE A 86 -11.649 21.653 0.618 1.00 70.14 H new ATOM 0 HA ILE A 86 -12.336 21.799 3.453 1.00 32.23 H new ATOM 0 HB ILE A 86 -11.129 19.356 2.092 1.00 41.03 H new ATOM 0 HG12 ILE A 86 -13.599 19.512 2.052 1.00 15.22 H new ATOM 0 HG13 ILE A 86 -13.019 18.158 3.001 1.00 15.22 H new ATOM 0 HG21 ILE A 86 -10.886 18.424 4.359 1.00 51.10 H new ATOM 0 HG22 ILE A 86 -9.891 19.882 4.137 1.00 51.10 H new ATOM 0 HG23 ILE A 86 -11.415 19.976 5.050 1.00 51.10 H new ATOM 0 HD11 ILE A 86 -14.879 19.283 4.125 1.00 21.25 H new ATOM 0 HD12 ILE A 86 -13.385 19.441 5.079 1.00 21.25 H new ATOM 0 HD13 ILE A 86 -13.974 20.816 4.115 1.00 21.25 H new ATOM 1277 N ARG A 87 -9.937 22.368 3.993 1.00 62.33 N ATOM 1278 CA ARG A 87 -8.613 22.931 4.230 1.00 53.34 C ATOM 1279 C ARG A 87 -7.656 21.868 4.760 1.00 35.43 C ATOM 1280 O ARG A 87 -8.061 20.963 5.493 1.00 44.35 O ATOM 1281 CB ARG A 87 -8.700 24.094 5.220 1.00 35.11 C ATOM 1282 CG ARG A 87 -8.308 25.435 4.621 1.00 32.24 C ATOM 1283 CD ARG A 87 -6.847 25.759 4.891 1.00 13.32 C ATOM 1284 NE ARG A 87 -6.680 26.573 6.093 1.00 71.53 N ATOM 1285 CZ ARG A 87 -6.921 27.878 6.136 1.00 51.11 C ATOM 1286 NH1 ARG A 87 -7.338 28.515 5.050 1.00 30.12 N ATOM 1287 NH2 ARG A 87 -6.746 28.549 7.267 1.00 43.41 N ATOM 0 H ARG A 87 -10.547 22.364 4.811 1.00 62.33 H new ATOM 0 HA ARG A 87 -8.227 23.300 3.279 1.00 53.34 H new ATOM 0 HB2 ARG A 87 -9.719 24.160 5.601 1.00 35.11 H new ATOM 0 HB3 ARG A 87 -8.054 23.884 6.072 1.00 35.11 H new ATOM 0 HG2 ARG A 87 -8.486 25.421 3.546 1.00 32.24 H new ATOM 0 HG3 ARG A 87 -8.939 26.220 5.038 1.00 32.24 H new ATOM 0 HD2 ARG A 87 -6.284 24.832 5.000 1.00 13.32 H new ATOM 0 HD3 ARG A 87 -6.428 26.287 4.034 1.00 13.32 H new ATOM 0 HE ARG A 87 -6.361 26.113 6.946 1.00 71.53 H new ATOM 0 HH11 ARG A 87 -7.474 28.002 4.179 1.00 30.12 H new ATOM 0 HH12 ARG A 87 -7.522 29.518 5.086 1.00 30.12 H new ATOM 0 HH21 ARG A 87 -6.426 28.062 8.104 1.00 43.41 H new ATOM 0 HH22 ARG A 87 -6.931 29.552 7.299 1.00 43.41 H new ATOM 1301 N LEU A 88 -6.387 21.982 4.386 1.00 70.31 N ATOM 1302 CA LEU A 88 -5.372 21.030 4.824 1.00 61.25 C ATOM 1303 C LEU A 88 -4.729 21.482 6.131 1.00 62.13 C ATOM 1304 O LEU A 88 -4.006 22.478 6.166 1.00 11.31 O ATOM 1305 CB LEU A 88 -4.300 20.865 3.745 1.00 41.43 C ATOM 1306 CG LEU A 88 -4.175 19.471 3.129 1.00 15.31 C ATOM 1307 CD1 LEU A 88 -3.224 19.494 1.943 1.00 4.42 C ATOM 1308 CD2 LEU A 88 -3.706 18.468 4.172 1.00 35.52 C ATOM 0 H LEU A 88 -6.036 22.724 3.781 1.00 70.31 H new ATOM 0 HA LEU A 88 -5.859 20.070 4.994 1.00 61.25 H new ATOM 0 HB2 LEU A 88 -4.506 21.576 2.945 1.00 41.43 H new ATOM 0 HB3 LEU A 88 -3.336 21.138 4.174 1.00 41.43 H new ATOM 0 HG LEU A 88 -5.158 19.163 2.773 1.00 15.31 H new ATOM 0 HD11 LEU A 88 -3.148 18.493 1.518 1.00 4.42 H new ATOM 0 HD12 LEU A 88 -3.602 20.182 1.187 1.00 4.42 H new ATOM 0 HD13 LEU A 88 -2.239 19.824 2.273 1.00 4.42 H new ATOM 0 HD21 LEU A 88 -3.623 17.481 3.716 1.00 35.52 H new ATOM 0 HD22 LEU A 88 -2.733 18.773 4.558 1.00 35.52 H new ATOM 0 HD23 LEU A 88 -4.426 18.430 4.990 1.00 35.52 H new ATOM 1320 N ILE A 89 -4.995 20.742 7.202 1.00 51.22 N ATOM 1321 CA ILE A 89 -4.440 21.065 8.510 1.00 4.41 C ATOM 1322 C ILE A 89 -3.812 19.837 9.160 1.00 61.24 C ATOM 1323 O ILE A 89 -4.404 18.758 9.207 1.00 1.33 O ATOM 1324 CB ILE A 89 -5.515 21.638 9.453 1.00 61.54 C ATOM 1325 CG1 ILE A 89 -4.884 22.074 10.777 1.00 71.44 C ATOM 1326 CG2 ILE A 89 -6.609 20.608 9.694 1.00 10.54 C ATOM 1327 CD1 ILE A 89 -5.885 22.611 11.775 1.00 53.21 C ATOM 0 H ILE A 89 -5.591 19.915 7.189 1.00 51.22 H new ATOM 0 HA ILE A 89 -3.671 21.820 8.348 1.00 4.41 H new ATOM 0 HB ILE A 89 -5.963 22.513 8.982 1.00 61.54 H new ATOM 0 HG12 ILE A 89 -4.362 21.225 11.219 1.00 71.44 H new ATOM 0 HG13 ILE A 89 -4.135 22.840 10.578 1.00 71.44 H new ATOM 0 HG21 ILE A 89 -7.362 21.026 10.362 1.00 10.54 H new ATOM 0 HG22 ILE A 89 -7.074 20.342 8.745 1.00 10.54 H new ATOM 0 HG23 ILE A 89 -6.176 19.717 10.148 1.00 10.54 H new ATOM 0 HD11 ILE A 89 -5.367 22.901 12.690 1.00 53.21 H new ATOM 0 HD12 ILE A 89 -6.389 23.480 11.353 1.00 53.21 H new ATOM 0 HD13 ILE A 89 -6.621 21.840 12.003 1.00 53.21 H new ATOM 1339 N PRO A 90 -2.584 20.002 9.674 1.00 33.32 N ATOM 1340 CA PRO A 90 -1.850 18.917 10.333 1.00 41.40 C ATOM 1341 C PRO A 90 -2.466 18.530 11.673 1.00 52.40 C ATOM 1342 O PRO A 90 -2.261 19.208 12.680 1.00 11.10 O ATOM 1343 CB PRO A 90 -0.453 19.508 10.538 1.00 42.52 C ATOM 1344 CG PRO A 90 -0.667 20.982 10.580 1.00 54.14 C ATOM 1345 CD PRO A 90 -1.819 21.259 9.653 1.00 2.40 C ATOM 0 HA PRO A 90 -1.859 18.001 9.742 1.00 41.40 H new ATOM 0 HB2 PRO A 90 -0.002 19.147 11.462 1.00 42.52 H new ATOM 0 HB3 PRO A 90 0.218 19.228 9.726 1.00 42.52 H new ATOM 0 HG2 PRO A 90 -0.892 21.315 11.593 1.00 54.14 H new ATOM 0 HG3 PRO A 90 0.228 21.516 10.261 1.00 54.14 H new ATOM 0 HD2 PRO A 90 -2.419 22.101 9.999 1.00 2.40 H new ATOM 0 HD3 PRO A 90 -1.476 21.504 8.648 1.00 2.40 H new ATOM 1353 N ARG A 91 -3.221 17.437 11.678 1.00 75.21 N ATOM 1354 CA ARG A 91 -3.868 16.960 12.895 1.00 52.54 C ATOM 1355 C ARG A 91 -3.368 15.568 13.267 1.00 62.23 C ATOM 1356 O ARG A 91 -2.820 14.850 12.430 1.00 45.20 O ATOM 1357 CB ARG A 91 -5.387 16.937 12.715 1.00 51.04 C ATOM 1358 CG ARG A 91 -6.154 17.381 13.950 1.00 43.34 C ATOM 1359 CD ARG A 91 -7.279 16.415 14.285 1.00 63.54 C ATOM 1360 NE ARG A 91 -6.860 15.400 15.248 1.00 10.35 N ATOM 1361 CZ ARG A 91 -7.591 14.336 15.560 1.00 54.11 C ATOM 1362 NH1 ARG A 91 -8.772 14.148 14.986 1.00 22.21 N ATOM 1363 NH2 ARG A 91 -7.142 13.457 16.447 1.00 51.23 N ATOM 0 H ARG A 91 -3.400 16.865 10.853 1.00 75.21 H new ATOM 0 HA ARG A 91 -3.615 17.646 13.704 1.00 52.54 H new ATOM 0 HB2 ARG A 91 -5.655 17.584 11.879 1.00 51.04 H new ATOM 0 HB3 ARG A 91 -5.697 15.927 12.449 1.00 51.04 H new ATOM 0 HG2 ARG A 91 -5.471 17.454 14.797 1.00 43.34 H new ATOM 0 HG3 ARG A 91 -6.565 18.377 13.786 1.00 43.34 H new ATOM 0 HD2 ARG A 91 -8.126 16.970 14.689 1.00 63.54 H new ATOM 0 HD3 ARG A 91 -7.623 15.929 13.372 1.00 63.54 H new ATOM 0 HE ARG A 91 -5.956 15.515 15.706 1.00 10.35 H new ATOM 0 HH11 ARG A 91 -9.120 14.821 14.304 1.00 22.21 H new ATOM 0 HH12 ARG A 91 -9.332 13.330 15.227 1.00 22.21 H new ATOM 0 HH21 ARG A 91 -6.234 13.598 16.890 1.00 51.23 H new ATOM 0 HH22 ARG A 91 -7.705 12.640 16.686 1.00 51.23 H new ATOM 1377 N ASP A 92 -3.560 15.193 14.527 1.00 60.04 N ATOM 1378 CA ASP A 92 -3.129 13.886 15.010 1.00 41.32 C ATOM 1379 C ASP A 92 -1.612 13.749 14.926 1.00 41.31 C ATOM 1380 O ASP A 92 -1.084 12.642 14.823 1.00 44.12 O ATOM 1381 CB ASP A 92 -3.799 12.774 14.203 1.00 74.35 C ATOM 1382 CG ASP A 92 -4.149 11.570 15.055 1.00 24.31 C ATOM 1383 OD1 ASP A 92 -3.353 11.229 15.956 1.00 50.03 O ATOM 1384 OD2 ASP A 92 -5.218 10.969 14.822 1.00 30.34 O ATOM 0 H ASP A 92 -4.011 15.775 15.232 1.00 60.04 H new ATOM 0 HA ASP A 92 -3.427 13.796 16.055 1.00 41.32 H new ATOM 0 HB2 ASP A 92 -4.705 13.162 13.738 1.00 74.35 H new ATOM 0 HB3 ASP A 92 -3.135 12.464 13.396 1.00 74.35 H new ATOM 1389 N ARG A 93 -0.917 14.881 14.970 1.00 52.53 N ATOM 1390 CA ARG A 93 0.539 14.888 14.896 1.00 32.22 C ATOM 1391 C ARG A 93 1.128 15.909 15.865 1.00 14.11 C ATOM 1392 O ARG A 93 1.778 15.547 16.845 1.00 4.24 O ATOM 1393 CB ARG A 93 0.997 15.198 13.470 1.00 4.32 C ATOM 1394 CG ARG A 93 2.507 15.167 13.295 1.00 30.25 C ATOM 1395 CD ARG A 93 2.918 15.657 11.916 1.00 4.52 C ATOM 1396 NE ARG A 93 4.228 15.145 11.521 1.00 11.42 N ATOM 1397 CZ ARG A 93 4.935 15.638 10.511 1.00 43.14 C ATOM 1398 NH1 ARG A 93 4.462 16.650 9.797 1.00 50.30 N ATOM 1399 NH2 ARG A 93 6.119 15.118 10.212 1.00 3.44 N ATOM 0 H ARG A 93 -1.339 15.806 15.057 1.00 52.53 H new ATOM 0 HA ARG A 93 0.897 13.898 15.178 1.00 32.22 H new ATOM 0 HB2 ARG A 93 0.546 14.478 12.788 1.00 4.32 H new ATOM 0 HB3 ARG A 93 0.627 16.183 13.184 1.00 4.32 H new ATOM 0 HG2 ARG A 93 2.976 15.789 14.058 1.00 30.25 H new ATOM 0 HG3 ARG A 93 2.871 14.150 13.445 1.00 30.25 H new ATOM 0 HD2 ARG A 93 2.172 15.347 11.184 1.00 4.52 H new ATOM 0 HD3 ARG A 93 2.938 16.747 11.910 1.00 4.52 H new ATOM 0 HE ARG A 93 4.621 14.366 12.050 1.00 11.42 H new ATOM 0 HH11 ARG A 93 3.552 17.052 10.023 1.00 50.30 H new ATOM 0 HH12 ARG A 93 5.008 17.026 9.022 1.00 50.30 H new ATOM 0 HH21 ARG A 93 6.487 14.339 10.758 1.00 3.44 H new ATOM 0 HH22 ARG A 93 6.661 15.497 9.436 1.00 3.44 H new ATOM 1413 N VAL A 94 0.895 17.187 15.583 1.00 11.22 N ATOM 1414 CA VAL A 94 1.401 18.261 16.429 1.00 4.14 C ATOM 1415 C VAL A 94 0.853 18.149 17.847 1.00 32.33 C ATOM 1416 O VAL A 94 1.610 18.026 18.809 1.00 11.32 O ATOM 1417 CB VAL A 94 1.038 19.645 15.858 1.00 32.52 C ATOM 1418 CG1 VAL A 94 1.689 20.749 16.677 1.00 31.54 C ATOM 1419 CG2 VAL A 94 1.448 19.741 14.396 1.00 12.55 C ATOM 0 H VAL A 94 0.359 17.504 14.775 1.00 11.22 H new ATOM 0 HA VAL A 94 2.486 18.159 16.453 1.00 4.14 H new ATOM 0 HB VAL A 94 -0.043 19.772 15.918 1.00 32.52 H new ATOM 0 HG11 VAL A 94 1.421 21.719 16.258 1.00 31.54 H new ATOM 0 HG12 VAL A 94 1.341 20.690 17.708 1.00 31.54 H new ATOM 0 HG13 VAL A 94 2.772 20.630 16.652 1.00 31.54 H new ATOM 0 HG21 VAL A 94 1.184 20.725 14.008 1.00 12.55 H new ATOM 0 HG22 VAL A 94 2.524 19.593 14.310 1.00 12.55 H new ATOM 0 HG23 VAL A 94 0.929 18.974 13.821 1.00 12.55 H new ATOM 1429 N GLY A 95 -0.471 18.191 17.969 1.00 24.33 N ATOM 1430 CA GLY A 95 -1.099 18.092 19.274 1.00 61.13 C ATOM 1431 C GLY A 95 -2.463 17.434 19.212 1.00 70.11 C ATOM 1432 O GLY A 95 -3.460 18.085 18.900 1.00 61.02 O ATOM 0 H GLY A 95 -1.119 18.292 17.188 1.00 24.33 H new ATOM 0 HA2 GLY A 95 -0.454 17.522 19.942 1.00 61.13 H new ATOM 0 HA3 GLY A 95 -1.199 19.089 19.702 1.00 61.13 H new TER 1436 GLY A 95