USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 701 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 8 GLN : amide:sc= 0.0441 X(o=0.044,f=0.5) USER MOD Set 2.2: A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.0059 (180deg=-0.0244) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00811 USER MOD Single : A 27 THR OG1 : rot -159:sc= -0.357 USER MOD Single : A 30 ASN : amide:sc=-0.00936 K(o=-0.0094,f=-0.52) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -74:sc= 0.255 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0.541 USER MOD Single : A 40 THR OG1 : rot 30:sc= 0.14 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -1:sc= 1.24 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0.0172 USER MOD Single : A 76 SER OG : rot 75:sc= 0.184 USER MOD Single : A 79 THR OG1 : rot 140:sc=-0.00617 USER MOD Single : A 82 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.4!) USER MOD Single : A 86 SER OG : rot -121:sc= 0.686 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -62:sc= 1.23 USER MOD Single : A 93 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.019) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.789 -3.665 4.291 1.00 0.00 N ATOM 2 CA MET A 1 -23.825 -2.255 3.891 1.00 0.00 C ATOM 3 C MET A 1 -22.716 -1.545 4.642 1.00 0.00 C ATOM 4 O MET A 1 -22.738 -1.602 5.869 1.00 0.00 O ATOM 5 CB MET A 1 -25.192 -1.609 4.181 1.00 0.00 C ATOM 6 CG MET A 1 -25.826 -1.956 5.540 1.00 0.00 C ATOM 7 SD MET A 1 -26.963 -0.695 6.161 1.00 0.00 S ATOM 8 CE MET A 1 -25.764 0.412 6.943 1.00 0.00 C ATOM 0 H1 MET A 1 -24.711 -4.105 4.096 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.049 -4.160 3.753 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.581 -3.732 5.308 1.00 0.00 H new ATOM 0 HA MET A 1 -23.677 -2.172 2.814 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.081 -0.526 4.120 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.885 -1.903 3.393 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.361 -2.901 5.449 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.033 -2.108 6.272 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.287 1.260 7.386 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.223 -0.128 7.720 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.059 0.772 6.194 1.00 0.00 H new ATOM 20 N ARG A 2 -21.731 -0.974 3.935 1.00 0.00 N ATOM 21 CA ARG A 2 -20.739 0.024 4.367 1.00 0.00 C ATOM 22 C ARG A 2 -19.490 -0.106 3.502 1.00 0.00 C ATOM 23 O ARG A 2 -19.124 -1.223 3.120 1.00 0.00 O ATOM 24 CB ARG A 2 -20.423 0.058 5.884 1.00 0.00 C ATOM 25 CG ARG A 2 -19.686 -1.177 6.435 1.00 0.00 C ATOM 26 CD ARG A 2 -18.176 -0.927 6.501 1.00 0.00 C ATOM 27 NE ARG A 2 -17.430 -2.100 6.976 1.00 0.00 N ATOM 28 CZ ARG A 2 -16.133 -2.081 7.303 1.00 0.00 C ATOM 29 NH1 ARG A 2 -15.413 -0.974 7.165 1.00 0.00 N ATOM 30 NH2 ARG A 2 -15.530 -3.161 7.778 1.00 0.00 N ATOM 0 H ARG A 2 -21.595 -1.221 2.955 1.00 0.00 H new ATOM 0 HA ARG A 2 -21.199 1.000 4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -19.820 0.942 6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -21.359 0.175 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -20.063 -1.417 7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -19.889 -2.040 5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -17.814 -0.647 5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -17.980 -0.084 7.163 1.00 0.00 H new ATOM 0 HE ARG A 2 -17.932 -2.984 7.062 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -15.848 -0.124 6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.425 -0.973 7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.056 -4.027 7.900 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.540 -3.127 8.022 1.00 0.00 H new ATOM 44 N GLY A 3 -18.792 0.994 3.249 1.00 0.00 N ATOM 45 CA GLY A 3 -17.528 0.997 2.524 1.00 0.00 C ATOM 46 C GLY A 3 -17.668 1.631 1.148 1.00 0.00 C ATOM 47 O GLY A 3 -17.237 1.057 0.143 1.00 0.00 O ATOM 0 H GLY A 3 -19.093 1.922 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -16.780 1.541 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -17.167 -0.026 2.418 1.00 0.00 H new ATOM 51 N SER A 4 -18.237 2.832 1.089 1.00 0.00 N ATOM 52 CA SER A 4 -18.086 3.754 -0.030 1.00 0.00 C ATOM 53 C SER A 4 -17.951 5.168 0.558 1.00 0.00 C ATOM 54 O SER A 4 -18.595 6.115 0.106 1.00 0.00 O ATOM 55 CB SER A 4 -19.237 3.553 -1.017 1.00 0.00 C ATOM 56 OG SER A 4 -18.784 3.582 -2.353 1.00 0.00 O ATOM 0 H SER A 4 -18.829 3.198 1.835 1.00 0.00 H new ATOM 0 HA SER A 4 -17.188 3.572 -0.620 1.00 0.00 H new ATOM 0 HB2 SER A 4 -19.726 2.599 -0.818 1.00 0.00 H new ATOM 0 HB3 SER A 4 -19.985 4.332 -0.868 1.00 0.00 H new ATOM 0 HG SER A 4 -19.543 3.449 -2.959 1.00 0.00 H new ATOM 62 N GLU A 5 -17.195 5.290 1.655 1.00 0.00 N ATOM 63 CA GLU A 5 -17.355 6.367 2.623 1.00 0.00 C ATOM 64 C GLU A 5 -16.135 7.287 2.587 1.00 0.00 C ATOM 65 O GLU A 5 -16.224 8.438 2.167 1.00 0.00 O ATOM 66 CB GLU A 5 -17.573 5.737 4.009 1.00 0.00 C ATOM 67 CG GLU A 5 -18.275 6.702 4.972 1.00 0.00 C ATOM 68 CD GLU A 5 -19.800 6.538 5.009 1.00 0.00 C ATOM 69 OE1 GLU A 5 -20.398 5.907 4.100 1.00 0.00 O ATOM 70 OE2 GLU A 5 -20.400 6.994 6.008 1.00 0.00 O ATOM 0 H GLU A 5 -16.450 4.635 1.893 1.00 0.00 H new ATOM 0 HA GLU A 5 -18.220 6.985 2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -18.169 4.830 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.611 5.441 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -17.878 6.552 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -18.036 7.726 4.685 1.00 0.00 H new ATOM 77 N VAL A 6 -14.981 6.771 3.008 1.00 0.00 N ATOM 78 CA VAL A 6 -13.685 7.410 2.850 1.00 0.00 C ATOM 79 C VAL A 6 -13.149 6.933 1.492 1.00 0.00 C ATOM 80 O VAL A 6 -13.264 5.736 1.194 1.00 0.00 O ATOM 81 CB VAL A 6 -12.785 6.985 4.030 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.343 7.480 3.889 1.00 0.00 C ATOM 83 CG2 VAL A 6 -13.339 7.512 5.363 1.00 0.00 C ATOM 0 H VAL A 6 -14.926 5.870 3.482 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.728 8.499 2.862 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.783 5.895 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.759 7.150 4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.907 7.074 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.335 8.569 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.686 7.198 6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.385 8.601 5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.340 7.111 5.525 1.00 0.00 H new ATOM 93 N PRO A 7 -12.580 7.805 0.644 1.00 0.00 N ATOM 94 CA PRO A 7 -11.954 7.377 -0.600 1.00 0.00 C ATOM 95 C PRO A 7 -10.743 6.495 -0.284 1.00 0.00 C ATOM 96 O PRO A 7 -10.008 6.776 0.667 1.00 0.00 O ATOM 97 CB PRO A 7 -11.578 8.669 -1.338 1.00 0.00 C ATOM 98 CG PRO A 7 -11.508 9.739 -0.247 1.00 0.00 C ATOM 99 CD PRO A 7 -12.494 9.246 0.806 1.00 0.00 C ATOM 0 HA PRO A 7 -12.609 6.772 -1.226 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.623 8.566 -1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.321 8.923 -2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.501 9.831 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.788 10.720 -0.630 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.153 9.505 1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.471 9.711 0.672 1.00 0.00 H new ATOM 107 N GLN A 8 -10.490 5.464 -1.091 1.00 0.00 N ATOM 108 CA GLN A 8 -9.229 4.721 -1.075 1.00 0.00 C ATOM 109 C GLN A 8 -8.371 5.167 -2.266 1.00 0.00 C ATOM 110 O GLN A 8 -8.861 5.860 -3.163 1.00 0.00 O ATOM 111 CB GLN A 8 -9.507 3.202 -1.027 1.00 0.00 C ATOM 112 CG GLN A 8 -9.989 2.580 -2.346 1.00 0.00 C ATOM 113 CD GLN A 8 -10.399 1.103 -2.241 1.00 0.00 C ATOM 114 OE1 GLN A 8 -11.220 0.621 -3.017 1.00 0.00 O ATOM 115 NE2 GLN A 8 -9.862 0.322 -1.316 1.00 0.00 N ATOM 0 H GLN A 8 -11.159 5.118 -1.779 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.655 4.941 -0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.595 2.692 -0.716 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.257 3.011 -0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.839 3.155 -2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.196 2.672 -3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.178 0.702 -0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.132 -0.660 -1.258 1.00 0.00 H new ATOM 124 N LEU A 9 -7.100 4.767 -2.303 1.00 0.00 N ATOM 125 CA LEU A 9 -6.241 4.949 -3.466 1.00 0.00 C ATOM 126 C LEU A 9 -6.646 3.944 -4.536 1.00 0.00 C ATOM 127 O LEU A 9 -5.999 2.924 -4.733 1.00 0.00 O ATOM 128 CB LEU A 9 -4.756 4.794 -3.104 1.00 0.00 C ATOM 129 CG LEU A 9 -4.200 5.958 -2.274 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.828 5.549 -1.743 1.00 0.00 C ATOM 131 CD2 LEU A 9 -4.084 7.235 -3.108 1.00 0.00 C ATOM 0 H LEU A 9 -6.637 4.305 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.368 5.963 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.621 3.866 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.175 4.703 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.882 6.172 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.411 6.362 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.929 4.659 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.163 5.334 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.687 8.039 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.414 7.060 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.069 7.517 -3.481 1.00 0.00 H new ATOM 143 N THR A 10 -7.702 4.255 -5.270 1.00 0.00 N ATOM 144 CA THR A 10 -8.149 3.477 -6.416 1.00 0.00 C ATOM 145 C THR A 10 -7.057 3.443 -7.507 1.00 0.00 C ATOM 146 O THR A 10 -6.957 2.491 -8.278 1.00 0.00 O ATOM 147 CB THR A 10 -9.470 4.105 -6.887 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.319 4.300 -5.764 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.212 3.229 -7.890 1.00 0.00 C ATOM 0 H THR A 10 -8.284 5.071 -5.083 1.00 0.00 H new ATOM 0 HA THR A 10 -8.324 2.432 -6.160 1.00 0.00 H new ATOM 0 HB THR A 10 -9.220 5.047 -7.375 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.163 4.702 -6.058 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.137 3.721 -8.188 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.586 3.071 -8.768 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.444 2.268 -7.432 1.00 0.00 H new ATOM 157 N ASP A 11 -6.183 4.457 -7.541 1.00 0.00 N ATOM 158 CA ASP A 11 -5.044 4.573 -8.456 1.00 0.00 C ATOM 159 C ASP A 11 -3.852 3.694 -8.069 1.00 0.00 C ATOM 160 O ASP A 11 -2.843 3.705 -8.775 1.00 0.00 O ATOM 161 CB ASP A 11 -4.592 6.039 -8.523 1.00 0.00 C ATOM 162 CG ASP A 11 -5.357 6.808 -9.590 1.00 0.00 C ATOM 163 OD1 ASP A 11 -5.067 6.604 -10.791 1.00 0.00 O ATOM 164 OD2 ASP A 11 -6.180 7.677 -9.219 1.00 0.00 O ATOM 0 H ASP A 11 -6.255 5.251 -6.905 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.389 4.221 -9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.743 6.512 -7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.524 6.083 -8.736 1.00 0.00 H new ATOM 169 N LEU A 12 -3.935 2.972 -6.952 1.00 0.00 N ATOM 170 CA LEU A 12 -2.864 2.133 -6.421 1.00 0.00 C ATOM 171 C LEU A 12 -2.473 1.066 -7.429 1.00 0.00 C ATOM 172 O LEU A 12 -3.272 0.173 -7.729 1.00 0.00 O ATOM 173 CB LEU A 12 -3.335 1.498 -5.109 1.00 0.00 C ATOM 174 CG LEU A 12 -2.346 0.657 -4.283 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.047 -0.750 -4.826 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.078 1.447 -3.979 1.00 0.00 C ATOM 0 H LEU A 12 -4.776 2.955 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.982 2.744 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.698 2.301 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.191 0.864 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.866 0.454 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.339 -1.252 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.971 -1.326 -4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.618 -0.671 -5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.396 0.830 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.596 1.735 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.334 2.342 -3.412 1.00 0.00 H new ATOM 188 N SER A 13 -1.242 1.147 -7.917 1.00 0.00 N ATOM 189 CA SER A 13 -0.624 0.156 -8.771 1.00 0.00 C ATOM 190 C SER A 13 0.791 -0.138 -8.301 1.00 0.00 C ATOM 191 O SER A 13 1.391 0.649 -7.562 1.00 0.00 O ATOM 192 CB SER A 13 -0.678 0.636 -10.225 1.00 0.00 C ATOM 193 OG SER A 13 -0.242 1.979 -10.351 1.00 0.00 O ATOM 0 H SER A 13 -0.628 1.937 -7.718 1.00 0.00 H new ATOM 0 HA SER A 13 -1.172 -0.785 -8.713 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.054 -0.009 -10.844 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.698 0.548 -10.600 1.00 0.00 H new ATOM 0 HG SER A 13 -0.288 2.251 -11.291 1.00 0.00 H new ATOM 199 N PHE A 14 1.335 -1.278 -8.725 1.00 0.00 N ATOM 200 CA PHE A 14 2.732 -1.614 -8.551 1.00 0.00 C ATOM 201 C PHE A 14 3.405 -1.452 -9.909 1.00 0.00 C ATOM 202 O PHE A 14 2.811 -1.783 -10.938 1.00 0.00 O ATOM 203 CB PHE A 14 2.826 -3.068 -8.084 1.00 0.00 C ATOM 204 CG PHE A 14 1.990 -3.488 -6.886 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.562 -2.563 -5.909 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.700 -4.853 -6.717 1.00 0.00 C ATOM 207 CE1 PHE A 14 0.839 -3.003 -4.786 1.00 0.00 C ATOM 208 CE2 PHE A 14 0.964 -5.284 -5.604 1.00 0.00 C ATOM 209 CZ PHE A 14 0.508 -4.356 -4.657 1.00 0.00 C ATOM 0 H PHE A 14 0.801 -2.001 -9.207 1.00 0.00 H new ATOM 0 HA PHE A 14 3.215 -0.974 -7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.551 -3.707 -8.923 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.870 -3.278 -7.852 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.791 -1.514 -6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.045 -5.571 -7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.540 -2.298 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.748 -6.334 -5.476 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.099 -4.686 -3.827 1.00 0.00 H new ATOM 219 N VAL A 15 4.645 -0.984 -9.913 1.00 0.00 N ATOM 220 CA VAL A 15 5.480 -0.786 -11.092 1.00 0.00 C ATOM 221 C VAL A 15 6.930 -1.069 -10.707 1.00 0.00 C ATOM 222 O VAL A 15 7.256 -1.078 -9.523 1.00 0.00 O ATOM 223 CB VAL A 15 5.341 0.656 -11.616 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.121 0.803 -12.533 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.287 1.728 -10.512 1.00 0.00 C ATOM 0 H VAL A 15 5.121 -0.718 -9.051 1.00 0.00 H new ATOM 0 HA VAL A 15 5.164 -1.463 -11.886 1.00 0.00 H new ATOM 0 HB VAL A 15 6.255 0.834 -12.183 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.052 1.832 -12.885 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.225 0.134 -13.387 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.217 0.548 -11.980 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.189 2.714 -10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.431 1.540 -9.864 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.203 1.690 -9.923 1.00 0.00 H new ATOM 235 N ASP A 16 7.815 -1.246 -11.682 1.00 0.00 N ATOM 236 CA ASP A 16 9.234 -1.530 -11.483 1.00 0.00 C ATOM 237 C ASP A 16 9.417 -2.716 -10.528 1.00 0.00 C ATOM 238 O ASP A 16 10.188 -2.654 -9.570 1.00 0.00 O ATOM 239 CB ASP A 16 9.962 -0.245 -11.045 1.00 0.00 C ATOM 240 CG ASP A 16 11.464 -0.297 -11.317 1.00 0.00 C ATOM 241 OD1 ASP A 16 11.879 -0.836 -12.370 1.00 0.00 O ATOM 242 OD2 ASP A 16 12.237 0.303 -10.538 1.00 0.00 O ATOM 0 H ASP A 16 7.556 -1.194 -12.667 1.00 0.00 H new ATOM 0 HA ASP A 16 9.696 -1.840 -12.420 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.531 0.608 -11.569 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.795 -0.083 -9.980 1.00 0.00 H new ATOM 247 N ILE A 17 8.619 -3.766 -10.767 1.00 0.00 N ATOM 248 CA ILE A 17 8.467 -5.001 -9.990 1.00 0.00 C ATOM 249 C ILE A 17 9.702 -5.874 -10.288 1.00 0.00 C ATOM 250 O ILE A 17 9.613 -6.919 -10.939 1.00 0.00 O ATOM 251 CB ILE A 17 7.128 -5.694 -10.400 1.00 0.00 C ATOM 252 CG1 ILE A 17 5.878 -4.777 -10.405 1.00 0.00 C ATOM 253 CG2 ILE A 17 6.813 -6.904 -9.497 1.00 0.00 C ATOM 254 CD1 ILE A 17 4.820 -5.212 -11.419 1.00 0.00 C ATOM 0 H ILE A 17 8.008 -3.771 -11.584 1.00 0.00 H new ATOM 0 HA ILE A 17 8.415 -4.818 -8.917 1.00 0.00 H new ATOM 0 HB ILE A 17 7.315 -5.999 -11.429 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.436 -4.769 -9.409 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.185 -3.755 -10.625 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.875 -7.359 -9.813 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.617 -7.636 -9.576 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.725 -6.573 -8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.971 -4.530 -11.374 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.247 -5.193 -12.422 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.487 -6.223 -11.186 1.00 0.00 H new ATOM 266 N THR A 18 10.873 -5.379 -9.904 1.00 0.00 N ATOM 267 CA THR A 18 12.152 -6.058 -10.066 1.00 0.00 C ATOM 268 C THR A 18 12.447 -6.980 -8.868 1.00 0.00 C ATOM 269 O THR A 18 11.753 -6.973 -7.851 1.00 0.00 O ATOM 270 CB THR A 18 13.237 -4.995 -10.331 1.00 0.00 C ATOM 271 OG1 THR A 18 14.457 -5.606 -10.709 1.00 0.00 O ATOM 272 CG2 THR A 18 13.491 -4.058 -9.148 1.00 0.00 C ATOM 0 H THR A 18 10.961 -4.466 -9.458 1.00 0.00 H new ATOM 0 HA THR A 18 12.131 -6.726 -10.927 1.00 0.00 H new ATOM 0 HB THR A 18 12.848 -4.384 -11.145 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.132 -4.915 -10.874 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.267 -3.340 -9.413 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.572 -3.526 -8.902 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.815 -4.640 -8.286 1.00 0.00 H new ATOM 280 N ASP A 19 13.532 -7.749 -8.972 1.00 0.00 N ATOM 281 CA ASP A 19 14.053 -8.667 -7.957 1.00 0.00 C ATOM 282 C ASP A 19 14.762 -7.942 -6.805 1.00 0.00 C ATOM 283 O ASP A 19 15.315 -8.607 -5.927 1.00 0.00 O ATOM 284 CB ASP A 19 15.047 -9.657 -8.598 1.00 0.00 C ATOM 285 CG ASP A 19 14.385 -10.834 -9.303 1.00 0.00 C ATOM 286 OD1 ASP A 19 13.776 -11.698 -8.631 1.00 0.00 O ATOM 287 OD2 ASP A 19 14.580 -10.941 -10.535 1.00 0.00 O ATOM 0 H ASP A 19 14.104 -7.748 -9.816 1.00 0.00 H new ATOM 0 HA ASP A 19 13.191 -9.192 -7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.667 -9.119 -9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.713 -10.039 -7.824 1.00 0.00 H new ATOM 292 N SER A 20 14.834 -6.606 -6.817 1.00 0.00 N ATOM 293 CA SER A 20 15.551 -5.827 -5.806 1.00 0.00 C ATOM 294 C SER A 20 14.682 -4.956 -4.914 1.00 0.00 C ATOM 295 O SER A 20 15.099 -4.587 -3.815 1.00 0.00 O ATOM 296 CB SER A 20 16.692 -5.049 -6.479 1.00 0.00 C ATOM 297 OG SER A 20 16.214 -3.953 -7.243 1.00 0.00 O ATOM 0 H SER A 20 14.392 -6.032 -7.535 1.00 0.00 H new ATOM 0 HA SER A 20 15.968 -6.543 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.381 -4.686 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.257 -5.721 -7.125 1.00 0.00 H new ATOM 0 HG SER A 20 16.971 -3.485 -7.652 1.00 0.00 H new ATOM 303 N SER A 21 13.442 -4.725 -5.312 1.00 0.00 N ATOM 304 CA SER A 21 12.473 -3.880 -4.662 1.00 0.00 C ATOM 305 C SER A 21 11.225 -3.855 -5.537 1.00 0.00 C ATOM 306 O SER A 21 11.312 -4.076 -6.748 1.00 0.00 O ATOM 307 CB SER A 21 13.041 -2.459 -4.481 1.00 0.00 C ATOM 308 OG SER A 21 13.694 -1.930 -5.634 1.00 0.00 O ATOM 0 H SER A 21 13.067 -5.156 -6.157 1.00 0.00 H new ATOM 0 HA SER A 21 12.230 -4.264 -3.671 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.228 -1.790 -4.201 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.747 -2.467 -3.651 1.00 0.00 H new ATOM 0 HG SER A 21 14.023 -1.028 -5.438 1.00 0.00 H new ATOM 314 N ILE A 22 10.091 -3.457 -4.978 1.00 0.00 N ATOM 315 CA ILE A 22 8.831 -3.319 -5.695 1.00 0.00 C ATOM 316 C ILE A 22 8.484 -1.822 -5.604 1.00 0.00 C ATOM 317 O ILE A 22 8.536 -1.226 -4.523 1.00 0.00 O ATOM 318 CB ILE A 22 7.809 -4.329 -5.091 1.00 0.00 C ATOM 319 CG1 ILE A 22 7.081 -5.240 -6.106 1.00 0.00 C ATOM 320 CG2 ILE A 22 6.943 -3.730 -3.973 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.607 -5.592 -5.830 1.00 0.00 C ATOM 0 H ILE A 22 10.020 -3.215 -3.990 1.00 0.00 H new ATOM 0 HA ILE A 22 8.849 -3.578 -6.754 1.00 0.00 H new ATOM 0 HB ILE A 22 8.428 -5.062 -4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.133 -4.760 -7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.640 -6.173 -6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.255 -4.489 -3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.584 -3.389 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.375 -2.887 -4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.232 -6.236 -6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.530 -6.112 -4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.015 -4.677 -5.794 1.00 0.00 H new ATOM 333 N GLY A 23 8.208 -1.165 -6.728 1.00 0.00 N ATOM 334 CA GLY A 23 7.735 0.214 -6.745 1.00 0.00 C ATOM 335 C GLY A 23 6.215 0.250 -6.611 1.00 0.00 C ATOM 336 O GLY A 23 5.520 -0.699 -6.976 1.00 0.00 O ATOM 0 H GLY A 23 8.307 -1.577 -7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.193 0.774 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.037 0.699 -7.673 1.00 0.00 H new ATOM 340 N LEU A 24 5.658 1.363 -6.157 1.00 0.00 N ATOM 341 CA LEU A 24 4.223 1.606 -6.121 1.00 0.00 C ATOM 342 C LEU A 24 3.954 2.969 -6.708 1.00 0.00 C ATOM 343 O LEU A 24 4.763 3.883 -6.540 1.00 0.00 O ATOM 344 CB LEU A 24 3.681 1.604 -4.694 1.00 0.00 C ATOM 345 CG LEU A 24 3.612 0.219 -4.034 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.560 0.155 -2.842 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.205 -0.048 -3.499 1.00 0.00 C ATOM 0 H LEU A 24 6.206 2.143 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 24 3.734 0.811 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.307 2.252 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.682 2.039 -4.699 1.00 0.00 H new ATOM 0 HG LEU A 24 3.885 -0.518 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.501 -0.832 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.580 0.339 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.277 0.912 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.173 -1.034 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.947 0.710 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.490 -0.011 -4.321 1.00 0.00 H new ATOM 359 N ARG A 25 2.780 3.135 -7.313 1.00 0.00 N ATOM 360 CA ARG A 25 2.370 4.397 -7.901 1.00 0.00 C ATOM 361 C ARG A 25 0.919 4.615 -7.525 1.00 0.00 C ATOM 362 O ARG A 25 0.131 3.675 -7.609 1.00 0.00 O ATOM 363 CB ARG A 25 2.570 4.283 -9.414 1.00 0.00 C ATOM 364 CG ARG A 25 2.526 5.632 -10.127 1.00 0.00 C ATOM 365 CD ARG A 25 2.676 5.394 -11.634 1.00 0.00 C ATOM 366 NE ARG A 25 3.088 6.626 -12.305 1.00 0.00 N ATOM 367 CZ ARG A 25 2.861 6.990 -13.568 1.00 0.00 C ATOM 368 NH1 ARG A 25 2.215 6.212 -14.428 1.00 0.00 N ATOM 369 NH2 ARG A 25 3.298 8.165 -13.992 1.00 0.00 N ATOM 0 H ARG A 25 2.088 2.392 -7.407 1.00 0.00 H new ATOM 0 HA ARG A 25 2.950 5.248 -7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.529 3.805 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.798 3.634 -9.829 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.585 6.141 -9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.326 6.278 -9.765 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.412 4.611 -11.814 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.731 5.044 -12.049 1.00 0.00 H new ATOM 0 HE ARG A 25 3.614 7.290 -11.737 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.872 5.299 -14.131 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.062 6.528 -15.386 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.803 8.782 -13.355 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.130 8.454 -14.956 1.00 0.00 H new ATOM 383 N TRP A 26 0.560 5.813 -7.075 1.00 0.00 N ATOM 384 CA TRP A 26 -0.823 6.161 -6.774 1.00 0.00 C ATOM 385 C TRP A 26 -0.989 7.686 -6.828 1.00 0.00 C ATOM 386 O TRP A 26 -0.003 8.417 -6.941 1.00 0.00 O ATOM 387 CB TRP A 26 -1.185 5.573 -5.398 1.00 0.00 C ATOM 388 CG TRP A 26 -0.416 6.126 -4.241 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.632 7.324 -3.652 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.679 5.511 -3.496 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.275 7.505 -2.638 1.00 0.00 N ATOM 392 CE2 TRP A 26 1.108 6.427 -2.497 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.320 4.256 -3.510 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.123 6.125 -1.583 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.336 3.938 -2.591 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.762 4.876 -1.644 1.00 0.00 C ATOM 0 H TRP A 26 1.222 6.571 -6.909 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.507 5.740 -7.511 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.247 5.739 -5.219 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.032 4.494 -5.431 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.399 8.029 -3.936 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.323 8.343 -2.058 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.024 3.521 -4.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.413 6.848 -0.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.792 2.959 -2.616 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.572 4.642 -0.969 1.00 0.00 H new ATOM 407 N THR A 27 -2.225 8.169 -6.710 1.00 0.00 N ATOM 408 CA THR A 27 -2.567 9.586 -6.717 1.00 0.00 C ATOM 409 C THR A 27 -2.454 10.162 -5.301 1.00 0.00 C ATOM 410 O THR A 27 -3.291 9.822 -4.465 1.00 0.00 O ATOM 411 CB THR A 27 -3.986 9.773 -7.279 1.00 0.00 C ATOM 412 OG1 THR A 27 -4.032 9.223 -8.572 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.377 11.249 -7.379 1.00 0.00 C ATOM 0 H THR A 27 -3.039 7.564 -6.604 1.00 0.00 H new ATOM 0 HA THR A 27 -1.869 10.125 -7.357 1.00 0.00 H new ATOM 0 HB THR A 27 -4.681 9.278 -6.600 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.785 9.610 -9.066 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.387 11.331 -7.781 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.343 11.702 -6.388 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.680 11.766 -8.039 1.00 0.00 H new ATOM 421 N PRO A 28 -1.432 10.966 -4.966 1.00 0.00 N ATOM 422 CA PRO A 28 -1.350 11.576 -3.649 1.00 0.00 C ATOM 423 C PRO A 28 -2.535 12.526 -3.457 1.00 0.00 C ATOM 424 O PRO A 28 -2.729 13.457 -4.241 1.00 0.00 O ATOM 425 CB PRO A 28 -0.018 12.323 -3.627 1.00 0.00 C ATOM 426 CG PRO A 28 0.248 12.646 -5.096 1.00 0.00 C ATOM 427 CD PRO A 28 -0.409 11.494 -5.851 1.00 0.00 C ATOM 0 HA PRO A 28 -1.394 10.847 -2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.078 13.229 -3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.777 11.710 -3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.184 13.606 -5.378 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.316 12.703 -5.305 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.845 11.840 -6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.322 10.726 -6.104 1.00 0.00 H new ATOM 435 N LEU A 29 -3.319 12.329 -2.401 1.00 0.00 N ATOM 436 CA LEU A 29 -4.407 13.209 -2.003 1.00 0.00 C ATOM 437 C LEU A 29 -3.823 14.302 -1.135 1.00 0.00 C ATOM 438 O LEU A 29 -3.547 14.081 0.041 1.00 0.00 O ATOM 439 CB LEU A 29 -5.563 12.491 -1.282 1.00 0.00 C ATOM 440 CG LEU A 29 -6.000 11.193 -1.977 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.497 9.951 -1.241 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.520 11.146 -2.141 1.00 0.00 C ATOM 0 H LEU A 29 -3.209 11.527 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.858 13.619 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.259 12.263 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.417 13.166 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.545 11.191 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.829 9.056 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.408 9.966 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.895 9.943 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.804 10.217 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.993 11.194 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.847 11.993 -2.744 1.00 0.00 H new ATOM 454 N ASN A 30 -3.620 15.485 -1.703 1.00 0.00 N ATOM 455 CA ASN A 30 -3.122 16.651 -0.981 1.00 0.00 C ATOM 456 C ASN A 30 -4.280 17.288 -0.194 1.00 0.00 C ATOM 457 O ASN A 30 -4.552 18.487 -0.333 1.00 0.00 O ATOM 458 CB ASN A 30 -2.464 17.629 -1.966 1.00 0.00 C ATOM 459 CG ASN A 30 -1.166 17.095 -2.555 1.00 0.00 C ATOM 460 OD1 ASN A 30 -0.092 17.374 -2.044 1.00 0.00 O ATOM 461 ND2 ASN A 30 -1.214 16.345 -3.643 1.00 0.00 N ATOM 0 H ASN A 30 -3.799 15.664 -2.691 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.356 16.361 -0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.162 17.846 -2.775 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.265 18.571 -1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.351 15.996 -4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.114 16.116 -4.065 1.00 0.00 H new ATOM 468 N SER A 31 -5.015 16.470 0.567 1.00 0.00 N ATOM 469 CA SER A 31 -6.287 16.810 1.196 1.00 0.00 C ATOM 470 C SER A 31 -6.093 17.965 2.195 1.00 0.00 C ATOM 471 O SER A 31 -6.765 18.986 2.063 1.00 0.00 O ATOM 472 CB SER A 31 -6.783 15.570 1.946 1.00 0.00 C ATOM 473 OG SER A 31 -7.241 14.558 1.070 1.00 0.00 O ATOM 0 H SER A 31 -4.724 15.513 0.767 1.00 0.00 H new ATOM 0 HA SER A 31 -7.007 17.122 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.976 15.175 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.590 15.855 2.621 1.00 0.00 H new ATOM 0 HG SER A 31 -7.546 13.787 1.592 1.00 0.00 H new ATOM 479 N SER A 32 -5.174 17.786 3.159 1.00 0.00 N ATOM 480 CA SER A 32 -4.703 18.701 4.206 1.00 0.00 C ATOM 481 C SER A 32 -4.165 17.876 5.381 1.00 0.00 C ATOM 482 O SER A 32 -2.999 17.502 5.414 1.00 0.00 O ATOM 483 CB SER A 32 -5.737 19.761 4.645 1.00 0.00 C ATOM 484 OG SER A 32 -6.967 19.226 5.120 1.00 0.00 O ATOM 0 H SER A 32 -4.689 16.891 3.228 1.00 0.00 H new ATOM 0 HA SER A 32 -3.897 19.300 3.781 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.296 20.377 5.429 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.944 20.419 3.801 1.00 0.00 H new ATOM 0 HG SER A 32 -7.493 18.893 4.363 1.00 0.00 H new ATOM 490 N THR A 33 -5.044 17.514 6.310 1.00 0.00 N ATOM 491 CA THR A 33 -4.778 16.903 7.609 1.00 0.00 C ATOM 492 C THR A 33 -4.551 15.377 7.442 1.00 0.00 C ATOM 493 O THR A 33 -4.302 14.673 8.421 1.00 0.00 O ATOM 494 CB THR A 33 -5.984 17.320 8.485 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.633 18.380 9.348 1.00 0.00 O ATOM 496 CG2 THR A 33 -6.513 16.281 9.471 1.00 0.00 C ATOM 0 H THR A 33 -6.044 17.652 6.162 1.00 0.00 H new ATOM 0 HA THR A 33 -3.861 17.236 8.095 1.00 0.00 H new ATOM 0 HB THR A 33 -6.734 17.539 7.725 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.409 18.630 9.892 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.356 16.698 10.022 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.838 15.395 8.926 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.723 16.007 10.170 1.00 0.00 H new ATOM 504 N ILE A 34 -4.695 14.833 6.223 1.00 0.00 N ATOM 505 CA ILE A 34 -4.247 13.494 5.843 1.00 0.00 C ATOM 506 C ILE A 34 -2.927 13.127 6.545 1.00 0.00 C ATOM 507 O ILE A 34 -1.990 13.934 6.576 1.00 0.00 O ATOM 508 CB ILE A 34 -4.189 13.369 4.306 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.064 11.887 3.908 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.106 14.265 3.706 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.643 11.595 2.475 1.00 0.00 C ATOM 0 H ILE A 34 -5.141 15.333 5.454 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.973 12.758 6.189 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.122 13.735 3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.344 11.415 4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.026 11.405 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.097 14.149 2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.314 15.305 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.134 13.981 4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.592 10.517 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.371 12.024 1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.663 12.034 2.287 1.00 0.00 H new ATOM 523 N ILE A 35 -2.854 11.917 7.104 1.00 0.00 N ATOM 524 CA ILE A 35 -1.679 11.512 7.867 1.00 0.00 C ATOM 525 C ILE A 35 -0.644 10.992 6.881 1.00 0.00 C ATOM 526 O ILE A 35 0.513 11.394 6.942 1.00 0.00 O ATOM 527 CB ILE A 35 -2.024 10.458 8.937 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.089 10.978 9.925 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.786 10.031 9.744 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.376 10.168 9.807 1.00 0.00 C ATOM 0 H ILE A 35 -3.587 11.210 7.042 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.280 12.367 8.412 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.415 9.598 8.393 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.707 10.917 10.944 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.296 12.029 9.725 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.075 9.287 10.487 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.043 9.603 9.071 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.362 10.900 10.247 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.113 10.551 10.512 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.767 10.251 8.793 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.169 9.122 10.031 1.00 0.00 H new ATOM 542 N GLY A 36 -1.053 10.113 5.968 1.00 0.00 N ATOM 543 CA GLY A 36 -0.127 9.403 5.117 1.00 0.00 C ATOM 544 C GLY A 36 -0.829 8.234 4.465 1.00 0.00 C ATOM 545 O GLY A 36 -2.057 8.203 4.344 1.00 0.00 O ATOM 0 H GLY A 36 -2.033 9.880 5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.269 10.074 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.722 9.050 5.702 1.00 0.00 H new ATOM 549 N TYR A 37 -0.022 7.274 4.043 1.00 0.00 N ATOM 550 CA TYR A 37 -0.463 5.975 3.590 1.00 0.00 C ATOM 551 C TYR A 37 0.449 4.997 4.331 1.00 0.00 C ATOM 552 O TYR A 37 1.614 5.313 4.595 1.00 0.00 O ATOM 553 CB TYR A 37 -0.347 5.874 2.052 1.00 0.00 C ATOM 554 CG TYR A 37 -0.778 7.129 1.310 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.149 7.383 1.154 1.00 0.00 C ATOM 556 CD2 TYR A 37 0.164 8.073 0.851 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.589 8.582 0.575 1.00 0.00 C ATOM 558 CE2 TYR A 37 -0.268 9.270 0.251 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.649 9.538 0.135 1.00 0.00 C ATOM 560 OH TYR A 37 -2.069 10.720 -0.388 1.00 0.00 O ATOM 0 H TYR A 37 0.991 7.387 4.007 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.512 5.767 3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.687 5.648 1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.953 5.036 1.708 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.871 6.650 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.220 7.876 0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.646 8.774 0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.455 9.982 -0.120 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.292 11.261 -0.639 1.00 0.00 H new ATOM 570 N ARG A 38 -0.074 3.837 4.705 1.00 0.00 N ATOM 571 CA ARG A 38 0.602 2.849 5.530 1.00 0.00 C ATOM 572 C ARG A 38 0.696 1.575 4.716 1.00 0.00 C ATOM 573 O ARG A 38 -0.339 0.989 4.403 1.00 0.00 O ATOM 574 CB ARG A 38 -0.194 2.675 6.835 1.00 0.00 C ATOM 575 CG ARG A 38 0.214 1.477 7.706 1.00 0.00 C ATOM 576 CD ARG A 38 -0.661 0.222 7.510 1.00 0.00 C ATOM 577 NE ARG A 38 -0.377 -0.730 8.599 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.180 -1.656 9.131 1.00 0.00 C ATOM 579 NH1 ARG A 38 -2.444 -1.799 8.738 1.00 0.00 N ATOM 580 NH2 ARG A 38 -0.707 -2.455 10.078 1.00 0.00 N ATOM 0 H ARG A 38 -1.014 3.550 4.432 1.00 0.00 H new ATOM 0 HA ARG A 38 1.611 3.150 5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.090 3.584 7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.250 2.577 6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.251 1.220 7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.173 1.774 8.754 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.717 0.494 7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.452 -0.237 6.544 1.00 0.00 H new ATOM 0 HE ARG A 38 0.559 -0.674 9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.824 -1.192 8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.032 -2.515 9.163 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.259 -2.358 10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.309 -3.166 10.493 1.00 0.00 H new ATOM 594 N ILE A 39 1.896 1.158 4.333 1.00 0.00 N ATOM 595 CA ILE A 39 2.092 -0.067 3.576 1.00 0.00 C ATOM 596 C ILE A 39 2.303 -1.203 4.585 1.00 0.00 C ATOM 597 O ILE A 39 2.770 -0.995 5.703 1.00 0.00 O ATOM 598 CB ILE A 39 3.206 0.135 2.510 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.668 0.995 1.331 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.712 -1.193 1.913 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.679 2.510 1.576 1.00 0.00 C ATOM 0 H ILE A 39 2.759 1.661 4.539 1.00 0.00 H new ATOM 0 HA ILE A 39 1.223 -0.348 2.980 1.00 0.00 H new ATOM 0 HB ILE A 39 4.030 0.627 3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.264 0.781 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.646 0.685 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.488 -0.988 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.122 -1.816 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.884 -1.715 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.286 3.023 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.058 2.743 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.701 2.841 1.763 1.00 0.00 H new ATOM 613 N THR A 40 1.931 -2.420 4.206 1.00 0.00 N ATOM 614 CA THR A 40 2.233 -3.669 4.891 1.00 0.00 C ATOM 615 C THR A 40 2.429 -4.737 3.824 1.00 0.00 C ATOM 616 O THR A 40 1.490 -5.058 3.097 1.00 0.00 O ATOM 617 CB THR A 40 1.080 -4.033 5.839 1.00 0.00 C ATOM 618 OG1 THR A 40 1.127 -3.196 6.978 1.00 0.00 O ATOM 619 CG2 THR A 40 1.125 -5.485 6.321 1.00 0.00 C ATOM 0 H THR A 40 1.378 -2.569 3.362 1.00 0.00 H new ATOM 0 HA THR A 40 3.136 -3.581 5.495 1.00 0.00 H new ATOM 0 HB THR A 40 0.160 -3.897 5.270 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.513 -2.330 6.732 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.283 -5.674 6.986 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.067 -6.155 5.463 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.057 -5.662 6.857 1.00 0.00 H new ATOM 627 N VAL A 41 3.624 -5.312 3.745 1.00 0.00 N ATOM 628 CA VAL A 41 3.863 -6.568 3.044 1.00 0.00 C ATOM 629 C VAL A 41 3.761 -7.749 3.991 1.00 0.00 C ATOM 630 O VAL A 41 4.375 -7.749 5.063 1.00 0.00 O ATOM 631 CB VAL A 41 5.153 -6.577 2.187 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.806 -6.801 0.722 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.861 -5.206 2.145 1.00 0.00 C ATOM 0 H VAL A 41 4.462 -4.915 4.170 1.00 0.00 H new ATOM 0 HA VAL A 41 3.063 -6.671 2.311 1.00 0.00 H new ATOM 0 HB VAL A 41 5.776 -7.349 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.720 -6.806 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.296 -7.758 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.153 -6.000 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.757 -5.278 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.188 -4.462 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.139 -4.909 3.156 1.00 0.00 H new ATOM 643 N VAL A 42 3.003 -8.763 3.574 1.00 0.00 N ATOM 644 CA VAL A 42 3.099 -10.105 4.144 1.00 0.00 C ATOM 645 C VAL A 42 3.297 -11.111 3.000 1.00 0.00 C ATOM 646 O VAL A 42 3.019 -10.790 1.845 1.00 0.00 O ATOM 647 CB VAL A 42 1.928 -10.419 5.108 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.492 -9.229 5.986 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.697 -10.929 4.381 1.00 0.00 C ATOM 0 H VAL A 42 2.307 -8.677 2.833 1.00 0.00 H new ATOM 0 HA VAL A 42 3.973 -10.182 4.791 1.00 0.00 H new ATOM 0 HB VAL A 42 2.338 -11.195 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.668 -9.535 6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.331 -8.903 6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.168 -8.406 5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.093 -11.134 5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.355 -10.175 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.945 -11.845 3.845 1.00 0.00 H new ATOM 659 N ALA A 43 3.718 -12.333 3.319 1.00 0.00 N ATOM 660 CA ALA A 43 3.717 -13.483 2.427 1.00 0.00 C ATOM 661 C ALA A 43 2.273 -13.981 2.343 1.00 0.00 C ATOM 662 O ALA A 43 1.729 -14.450 3.344 1.00 0.00 O ATOM 663 CB ALA A 43 4.640 -14.560 3.004 1.00 0.00 C ATOM 0 H ALA A 43 4.084 -12.555 4.245 1.00 0.00 H new ATOM 0 HA ALA A 43 4.080 -13.229 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.646 -15.426 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.651 -14.163 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.280 -14.858 3.989 1.00 0.00 H new ATOM 669 N ALA A 44 1.623 -13.826 1.192 1.00 0.00 N ATOM 670 CA ALA A 44 0.202 -14.082 1.010 1.00 0.00 C ATOM 671 C ALA A 44 -0.178 -15.557 1.146 1.00 0.00 C ATOM 672 O ALA A 44 -1.364 -15.852 1.328 1.00 0.00 O ATOM 673 CB ALA A 44 -0.228 -13.602 -0.373 1.00 0.00 C ATOM 0 H ALA A 44 2.085 -13.510 0.339 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.310 -13.538 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.292 -13.793 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.037 -12.533 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.338 -14.137 -1.136 1.00 0.00 H new ATOM 679 N GLY A 45 0.766 -16.493 1.060 1.00 0.00 N ATOM 680 CA GLY A 45 0.467 -17.915 1.132 1.00 0.00 C ATOM 681 C GLY A 45 0.283 -18.403 2.559 1.00 0.00 C ATOM 682 O GLY A 45 -0.450 -19.372 2.778 1.00 0.00 O ATOM 0 H GLY A 45 1.757 -16.283 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.439 -18.121 0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.274 -18.476 0.661 1.00 0.00 H new ATOM 686 N GLU A 46 0.886 -17.732 3.541 1.00 0.00 N ATOM 687 CA GLU A 46 0.930 -18.186 4.912 1.00 0.00 C ATOM 688 C GLU A 46 0.661 -17.073 5.936 1.00 0.00 C ATOM 689 O GLU A 46 0.413 -17.360 7.110 1.00 0.00 O ATOM 690 CB GLU A 46 2.307 -18.829 5.071 1.00 0.00 C ATOM 691 CG GLU A 46 3.485 -17.857 4.964 1.00 0.00 C ATOM 692 CD GLU A 46 4.815 -18.577 4.720 1.00 0.00 C ATOM 693 OE1 GLU A 46 5.072 -19.661 5.291 1.00 0.00 O ATOM 694 OE2 GLU A 46 5.612 -18.095 3.886 1.00 0.00 O ATOM 0 H GLU A 46 1.363 -16.843 3.393 1.00 0.00 H new ATOM 0 HA GLU A 46 0.130 -18.897 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.351 -19.326 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.422 -19.602 4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.301 -17.155 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.554 -17.272 5.881 1.00 0.00 H new ATOM 701 N GLY A 47 0.693 -15.806 5.523 1.00 0.00 N ATOM 702 CA GLY A 47 0.465 -14.632 6.357 1.00 0.00 C ATOM 703 C GLY A 47 1.686 -14.185 7.162 1.00 0.00 C ATOM 704 O GLY A 47 1.549 -13.313 8.019 1.00 0.00 O ATOM 0 H GLY A 47 0.888 -15.562 4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.141 -13.807 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.352 -14.844 7.046 1.00 0.00 H new ATOM 708 N ILE A 48 2.859 -14.787 6.947 1.00 0.00 N ATOM 709 CA ILE A 48 4.161 -14.323 7.419 1.00 0.00 C ATOM 710 C ILE A 48 4.336 -12.808 7.168 1.00 0.00 C ATOM 711 O ILE A 48 4.462 -12.405 6.012 1.00 0.00 O ATOM 712 CB ILE A 48 5.272 -15.257 6.872 1.00 0.00 C ATOM 713 CG1 ILE A 48 5.436 -16.460 7.831 1.00 0.00 C ATOM 714 CG2 ILE A 48 6.575 -14.544 6.531 1.00 0.00 C ATOM 715 CD1 ILE A 48 6.599 -17.415 7.530 1.00 0.00 C ATOM 0 H ILE A 48 2.927 -15.653 6.413 1.00 0.00 H new ATOM 0 HA ILE A 48 4.241 -14.401 8.503 1.00 0.00 H new ATOM 0 HB ILE A 48 4.955 -15.636 5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.562 -16.076 8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.510 -17.035 7.821 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.298 -15.268 6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.388 -13.789 5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.972 -14.065 7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.612 -18.217 8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.472 -17.840 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.540 -16.867 7.573 1.00 0.00 H new ATOM 727 N PRO A 49 4.262 -11.942 8.192 1.00 0.00 N ATOM 728 CA PRO A 49 4.369 -10.505 8.014 1.00 0.00 C ATOM 729 C PRO A 49 5.834 -10.139 7.796 1.00 0.00 C ATOM 730 O PRO A 49 6.692 -10.543 8.585 1.00 0.00 O ATOM 731 CB PRO A 49 3.801 -9.905 9.301 1.00 0.00 C ATOM 732 CG PRO A 49 4.147 -10.949 10.364 1.00 0.00 C ATOM 733 CD PRO A 49 4.185 -12.273 9.605 1.00 0.00 C ATOM 0 HA PRO A 49 3.826 -10.128 7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.251 -8.938 9.526 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.725 -9.746 9.229 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.107 -10.734 10.834 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.401 -10.969 11.158 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.045 -12.870 9.910 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.295 -12.866 9.816 1.00 0.00 H new ATOM 741 N ILE A 50 6.124 -9.344 6.766 1.00 0.00 N ATOM 742 CA ILE A 50 7.480 -8.885 6.506 1.00 0.00 C ATOM 743 C ILE A 50 7.680 -7.649 7.379 1.00 0.00 C ATOM 744 O ILE A 50 8.327 -7.732 8.425 1.00 0.00 O ATOM 745 CB ILE A 50 7.725 -8.632 5.000 1.00 0.00 C ATOM 746 CG1 ILE A 50 7.152 -9.680 4.038 1.00 0.00 C ATOM 747 CG2 ILE A 50 9.218 -8.365 4.747 1.00 0.00 C ATOM 748 CD1 ILE A 50 7.691 -11.067 4.316 1.00 0.00 C ATOM 0 H ILE A 50 5.432 -9.006 6.098 1.00 0.00 H new ATOM 0 HA ILE A 50 8.220 -9.643 6.763 1.00 0.00 H new ATOM 0 HB ILE A 50 7.144 -7.741 4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.065 -9.691 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.391 -9.398 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.381 -8.188 3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.532 -7.488 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.801 -9.229 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.257 -11.774 3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.775 -11.065 4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.430 -11.362 5.332 1.00 0.00 H new ATOM 760 N PHE A 51 7.068 -6.521 7.013 1.00 0.00 N ATOM 761 CA PHE A 51 7.063 -5.308 7.811 1.00 0.00 C ATOM 762 C PHE A 51 5.875 -4.435 7.422 1.00 0.00 C ATOM 763 O PHE A 51 5.200 -4.692 6.416 1.00 0.00 O ATOM 764 CB PHE A 51 8.402 -4.555 7.687 1.00 0.00 C ATOM 765 CG PHE A 51 8.697 -3.760 6.421 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.588 -4.339 5.142 1.00 0.00 C ATOM 767 CD2 PHE A 51 9.171 -2.437 6.530 1.00 0.00 C ATOM 768 CE1 PHE A 51 8.879 -3.585 3.993 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.494 -1.695 5.381 1.00 0.00 C ATOM 770 CZ PHE A 51 9.303 -2.248 4.105 1.00 0.00 C ATOM 0 H PHE A 51 6.554 -6.430 6.136 1.00 0.00 H new ATOM 0 HA PHE A 51 6.952 -5.576 8.862 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.470 -3.866 8.529 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.201 -5.286 7.808 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.279 -5.369 5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.287 -1.989 7.506 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.777 -4.035 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.891 -0.695 5.480 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.479 -1.655 3.220 1.00 0.00 H new ATOM 780 N GLU A 52 5.640 -3.388 8.211 1.00 0.00 N ATOM 781 CA GLU A 52 4.806 -2.265 7.827 1.00 0.00 C ATOM 782 C GLU A 52 5.649 -1.000 7.847 1.00 0.00 C ATOM 783 O GLU A 52 6.609 -0.892 8.616 1.00 0.00 O ATOM 784 CB GLU A 52 3.545 -2.162 8.690 1.00 0.00 C ATOM 785 CG GLU A 52 3.713 -1.663 10.127 1.00 0.00 C ATOM 786 CD GLU A 52 2.330 -1.468 10.741 1.00 0.00 C ATOM 787 OE1 GLU A 52 1.666 -0.439 10.476 1.00 0.00 O ATOM 788 OE2 GLU A 52 1.831 -2.367 11.455 1.00 0.00 O ATOM 0 H GLU A 52 6.033 -3.301 9.148 1.00 0.00 H new ATOM 0 HA GLU A 52 4.437 -2.416 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.843 -1.499 8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.082 -3.148 8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.288 -2.381 10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.268 -0.725 10.139 1.00 0.00 H new ATOM 795 N ASP A 53 5.284 -0.050 6.997 1.00 0.00 N ATOM 796 CA ASP A 53 6.102 1.102 6.648 1.00 0.00 C ATOM 797 C ASP A 53 5.182 2.245 6.244 1.00 0.00 C ATOM 798 O ASP A 53 3.981 2.034 6.034 1.00 0.00 O ATOM 799 CB ASP A 53 7.046 0.729 5.502 1.00 0.00 C ATOM 800 CG ASP A 53 8.339 1.550 5.498 1.00 0.00 C ATOM 801 OD1 ASP A 53 8.911 1.772 6.589 1.00 0.00 O ATOM 802 OD2 ASP A 53 8.845 1.880 4.401 1.00 0.00 O ATOM 0 H ASP A 53 4.384 -0.061 6.517 1.00 0.00 H new ATOM 0 HA ASP A 53 6.707 1.414 7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.295 -0.330 5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.529 0.871 4.553 1.00 0.00 H new ATOM 807 N PHE A 54 5.716 3.457 6.168 1.00 0.00 N ATOM 808 CA PHE A 54 4.934 4.663 5.962 1.00 0.00 C ATOM 809 C PHE A 54 5.478 5.457 4.783 1.00 0.00 C ATOM 810 O PHE A 54 6.572 5.197 4.283 1.00 0.00 O ATOM 811 CB PHE A 54 4.973 5.497 7.252 1.00 0.00 C ATOM 812 CG PHE A 54 3.614 5.617 7.885 1.00 0.00 C ATOM 813 CD1 PHE A 54 3.027 4.492 8.493 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.926 6.842 7.839 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.765 4.607 9.096 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.659 6.948 8.426 1.00 0.00 C ATOM 817 CZ PHE A 54 1.089 5.835 9.063 1.00 0.00 C ATOM 0 H PHE A 54 6.718 3.629 6.249 1.00 0.00 H new ATOM 0 HA PHE A 54 3.902 4.401 5.730 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.664 5.038 7.960 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.359 6.492 7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.545 3.544 8.496 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.372 7.697 7.353 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.317 3.754 9.583 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.122 7.884 8.389 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.120 5.925 9.532 1.00 0.00 H new ATOM 827 N VAL A 55 4.700 6.445 4.350 1.00 0.00 N ATOM 828 CA VAL A 55 5.125 7.482 3.431 1.00 0.00 C ATOM 829 C VAL A 55 4.829 8.852 4.064 1.00 0.00 C ATOM 830 O VAL A 55 4.311 8.920 5.180 1.00 0.00 O ATOM 831 CB VAL A 55 4.460 7.231 2.062 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.479 6.659 1.077 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.242 6.296 2.077 1.00 0.00 C ATOM 0 H VAL A 55 3.728 6.544 4.641 1.00 0.00 H new ATOM 0 HA VAL A 55 6.199 7.467 3.246 1.00 0.00 H new ATOM 0 HB VAL A 55 4.095 8.213 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.997 6.486 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.299 7.366 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.868 5.717 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.853 6.189 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.538 5.318 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.469 6.716 2.720 1.00 0.00 H new ATOM 843 N ASP A 56 5.094 9.947 3.343 1.00 0.00 N ATOM 844 CA ASP A 56 5.106 11.297 3.919 1.00 0.00 C ATOM 845 C ASP A 56 3.691 11.762 4.270 1.00 0.00 C ATOM 846 O ASP A 56 3.343 11.895 5.437 1.00 0.00 O ATOM 847 CB ASP A 56 5.780 12.279 2.944 1.00 0.00 C ATOM 848 CG ASP A 56 6.475 13.418 3.683 1.00 0.00 C ATOM 849 OD1 ASP A 56 5.780 14.318 4.216 1.00 0.00 O ATOM 850 OD2 ASP A 56 7.723 13.412 3.702 1.00 0.00 O ATOM 0 H ASP A 56 5.306 9.923 2.346 1.00 0.00 H new ATOM 0 HA ASP A 56 5.681 11.271 4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.507 11.744 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.032 12.688 2.265 1.00 0.00 H new ATOM 855 N SER A 57 2.876 11.949 3.227 1.00 0.00 N ATOM 856 CA SER A 57 1.505 12.449 3.165 1.00 0.00 C ATOM 857 C SER A 57 1.110 12.864 1.748 1.00 0.00 C ATOM 858 O SER A 57 -0.072 12.797 1.424 1.00 0.00 O ATOM 859 CB SER A 57 1.178 13.535 4.208 1.00 0.00 C ATOM 860 OG SER A 57 2.146 14.562 4.338 1.00 0.00 O ATOM 0 H SER A 57 3.208 11.723 2.289 1.00 0.00 H new ATOM 0 HA SER A 57 0.879 11.601 3.443 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.223 13.990 3.947 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.048 13.056 5.178 1.00 0.00 H new ATOM 0 HG SER A 57 1.853 15.203 5.019 1.00 0.00 H new ATOM 866 N SER A 58 2.072 13.185 0.874 1.00 0.00 N ATOM 867 CA SER A 58 1.792 13.582 -0.505 1.00 0.00 C ATOM 868 C SER A 58 2.680 12.860 -1.521 1.00 0.00 C ATOM 869 O SER A 58 2.862 13.326 -2.648 1.00 0.00 O ATOM 870 CB SER A 58 1.743 15.113 -0.601 1.00 0.00 C ATOM 871 OG SER A 58 2.976 15.727 -0.294 1.00 0.00 O ATOM 0 H SER A 58 3.065 13.176 1.106 1.00 0.00 H new ATOM 0 HA SER A 58 0.799 13.241 -0.796 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.443 15.398 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.978 15.489 0.078 1.00 0.00 H new ATOM 0 HG SER A 58 2.886 16.700 -0.373 1.00 0.00 H new ATOM 877 N VAL A 59 3.210 11.697 -1.140 1.00 0.00 N ATOM 878 CA VAL A 59 3.994 10.833 -2.012 1.00 0.00 C ATOM 879 C VAL A 59 3.023 10.150 -2.974 1.00 0.00 C ATOM 880 O VAL A 59 2.015 9.616 -2.520 1.00 0.00 O ATOM 881 CB VAL A 59 4.747 9.793 -1.155 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.553 8.819 -2.025 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.719 10.473 -0.186 1.00 0.00 C ATOM 0 H VAL A 59 3.102 11.325 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 59 4.733 11.401 -2.577 1.00 0.00 H new ATOM 0 HB VAL A 59 3.985 9.245 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.069 8.102 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.879 8.287 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.285 9.375 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.235 9.715 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.450 11.053 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.166 11.136 0.479 1.00 0.00 H new ATOM 893 N GLY A 60 3.337 10.160 -4.272 1.00 0.00 N ATOM 894 CA GLY A 60 2.618 9.507 -5.364 1.00 0.00 C ATOM 895 C GLY A 60 3.442 8.427 -6.074 1.00 0.00 C ATOM 896 O GLY A 60 3.001 7.878 -7.087 1.00 0.00 O ATOM 0 H GLY A 60 4.159 10.661 -4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.706 9.058 -4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.315 10.260 -6.092 1.00 0.00 H new ATOM 900 N TYR A 61 4.660 8.160 -5.592 1.00 0.00 N ATOM 901 CA TYR A 61 5.547 7.100 -6.061 1.00 0.00 C ATOM 902 C TYR A 61 6.472 6.711 -4.915 1.00 0.00 C ATOM 903 O TYR A 61 7.218 7.559 -4.420 1.00 0.00 O ATOM 904 CB TYR A 61 6.369 7.536 -7.277 1.00 0.00 C ATOM 905 CG TYR A 61 6.973 6.357 -8.023 1.00 0.00 C ATOM 906 CD1 TYR A 61 8.046 5.616 -7.471 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.418 5.981 -9.265 1.00 0.00 C ATOM 908 CE1 TYR A 61 8.554 4.495 -8.163 1.00 0.00 C ATOM 909 CE2 TYR A 61 6.947 4.879 -9.965 1.00 0.00 C ATOM 910 CZ TYR A 61 8.016 4.119 -9.425 1.00 0.00 C ATOM 911 OH TYR A 61 8.575 3.107 -10.160 1.00 0.00 O ATOM 0 H TYR A 61 5.069 8.703 -4.831 1.00 0.00 H new ATOM 0 HA TYR A 61 4.943 6.249 -6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.734 8.105 -7.956 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.167 8.204 -6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.475 5.907 -6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.589 6.537 -9.678 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.358 3.918 -7.730 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.533 4.609 -10.925 1.00 0.00 H new ATOM 0 HH TYR A 61 8.072 2.991 -10.993 1.00 0.00 H new ATOM 921 N TYR A 62 6.423 5.454 -4.487 1.00 0.00 N ATOM 922 CA TYR A 62 7.162 4.920 -3.339 1.00 0.00 C ATOM 923 C TYR A 62 7.774 3.581 -3.750 1.00 0.00 C ATOM 924 O TYR A 62 7.379 3.014 -4.767 1.00 0.00 O ATOM 925 CB TYR A 62 6.196 4.851 -2.148 1.00 0.00 C ATOM 926 CG TYR A 62 6.563 3.969 -0.964 1.00 0.00 C ATOM 927 CD1 TYR A 62 7.609 4.299 -0.082 1.00 0.00 C ATOM 928 CD2 TYR A 62 5.794 2.826 -0.707 1.00 0.00 C ATOM 929 CE1 TYR A 62 7.899 3.481 1.031 1.00 0.00 C ATOM 930 CE2 TYR A 62 6.082 1.998 0.383 1.00 0.00 C ATOM 931 CZ TYR A 62 7.147 2.304 1.248 1.00 0.00 C ATOM 932 OH TYR A 62 7.420 1.432 2.252 1.00 0.00 O ATOM 0 H TYR A 62 5.846 4.749 -4.945 1.00 0.00 H new ATOM 0 HA TYR A 62 7.993 5.551 -3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.057 5.866 -1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.230 4.515 -2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.196 5.188 -0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.968 2.581 -1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.691 3.753 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.482 1.118 0.561 1.00 0.00 H new ATOM 0 HH TYR A 62 8.203 1.744 2.752 1.00 0.00 H new ATOM 942 N THR A 63 8.735 3.080 -2.982 1.00 0.00 N ATOM 943 CA THR A 63 9.388 1.798 -3.213 1.00 0.00 C ATOM 944 C THR A 63 9.407 1.038 -1.889 1.00 0.00 C ATOM 945 O THR A 63 9.526 1.655 -0.830 1.00 0.00 O ATOM 946 CB THR A 63 10.816 2.038 -3.743 1.00 0.00 C ATOM 947 OG1 THR A 63 10.821 2.861 -4.898 1.00 0.00 O ATOM 948 CG2 THR A 63 11.548 0.748 -4.111 1.00 0.00 C ATOM 0 H THR A 63 9.090 3.568 -2.160 1.00 0.00 H new ATOM 0 HA THR A 63 8.852 1.210 -3.958 1.00 0.00 H new ATOM 0 HB THR A 63 11.332 2.526 -2.916 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.743 2.991 -5.203 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.546 0.988 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.627 0.111 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.993 0.224 -4.889 1.00 0.00 H new ATOM 956 N VAL A 64 9.328 -0.287 -1.951 1.00 0.00 N ATOM 957 CA VAL A 64 9.486 -1.183 -0.827 1.00 0.00 C ATOM 958 C VAL A 64 10.655 -2.102 -1.168 1.00 0.00 C ATOM 959 O VAL A 64 10.814 -2.487 -2.329 1.00 0.00 O ATOM 960 CB VAL A 64 8.205 -2.007 -0.611 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.090 -2.408 0.854 1.00 0.00 C ATOM 962 CG2 VAL A 64 6.905 -1.305 -1.015 1.00 0.00 C ATOM 0 H VAL A 64 9.144 -0.779 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 64 9.674 -0.629 0.093 1.00 0.00 H new ATOM 0 HB VAL A 64 8.313 -2.869 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.181 -2.991 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.956 -3.007 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.051 -1.513 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.060 -1.967 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.789 -0.391 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.940 -1.057 -2.076 1.00 0.00 H new ATOM 972 N THR A 65 11.436 -2.481 -0.168 1.00 0.00 N ATOM 973 CA THR A 65 12.485 -3.483 -0.271 1.00 0.00 C ATOM 974 C THR A 65 12.075 -4.653 0.641 1.00 0.00 C ATOM 975 O THR A 65 10.951 -4.694 1.157 1.00 0.00 O ATOM 976 CB THR A 65 13.834 -2.851 0.129 1.00 0.00 C ATOM 977 OG1 THR A 65 13.902 -1.474 -0.216 1.00 0.00 O ATOM 978 CG2 THR A 65 15.047 -3.514 -0.533 1.00 0.00 C ATOM 0 H THR A 65 11.354 -2.086 0.769 1.00 0.00 H new ATOM 0 HA THR A 65 12.610 -3.856 -1.288 1.00 0.00 H new ATOM 0 HB THR A 65 13.875 -2.997 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.771 -1.111 0.056 1.00 0.00 H new ATOM 0 HG21 THR A 65 15.959 -3.016 -0.204 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.086 -4.566 -0.250 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.960 -3.432 -1.616 1.00 0.00 H new ATOM 986 N GLY A 66 12.964 -5.617 0.864 1.00 0.00 N ATOM 987 CA GLY A 66 12.710 -6.724 1.765 1.00 0.00 C ATOM 988 C GLY A 66 11.820 -7.778 1.123 1.00 0.00 C ATOM 989 O GLY A 66 11.180 -8.536 1.844 1.00 0.00 O ATOM 0 H GLY A 66 13.882 -5.647 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.656 -7.177 2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.237 -6.352 2.674 1.00 0.00 H new ATOM 993 N LEU A 67 11.690 -7.782 -0.206 1.00 0.00 N ATOM 994 CA LEU A 67 11.067 -8.869 -0.940 1.00 0.00 C ATOM 995 C LEU A 67 12.117 -9.949 -1.201 1.00 0.00 C ATOM 996 O LEU A 67 13.314 -9.652 -1.233 1.00 0.00 O ATOM 997 CB LEU A 67 10.481 -8.316 -2.255 1.00 0.00 C ATOM 998 CG LEU A 67 8.945 -8.408 -2.281 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.343 -7.235 -3.050 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.502 -9.711 -2.938 1.00 0.00 C ATOM 0 H LEU A 67 12.019 -7.022 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 67 10.253 -9.312 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.785 -7.277 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.892 -8.871 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 67 8.593 -8.379 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.256 -7.322 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.630 -6.299 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.712 -7.245 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.413 -9.761 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.877 -9.749 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.899 -10.556 -2.375 1.00 0.00 H new ATOM 1012 N GLU A 68 11.685 -11.185 -1.434 1.00 0.00 N ATOM 1013 CA GLU A 68 12.517 -12.277 -1.917 1.00 0.00 C ATOM 1014 C GLU A 68 11.681 -13.086 -2.918 1.00 0.00 C ATOM 1015 O GLU A 68 10.497 -13.310 -2.667 1.00 0.00 O ATOM 1016 CB GLU A 68 13.053 -13.161 -0.771 1.00 0.00 C ATOM 1017 CG GLU A 68 14.588 -13.096 -0.673 1.00 0.00 C ATOM 1018 CD GLU A 68 15.224 -14.352 -0.072 1.00 0.00 C ATOM 1019 OE1 GLU A 68 14.953 -15.476 -0.560 1.00 0.00 O ATOM 1020 OE2 GLU A 68 16.096 -14.239 0.821 1.00 0.00 O ATOM 0 H GLU A 68 10.714 -11.461 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 68 13.405 -11.874 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.614 -12.839 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.742 -14.193 -0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.999 -12.933 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.868 -12.234 -0.068 1.00 0.00 H new ATOM 1027 N PRO A 69 12.244 -13.490 -4.069 1.00 0.00 N ATOM 1028 CA PRO A 69 11.501 -14.245 -5.064 1.00 0.00 C ATOM 1029 C PRO A 69 11.074 -15.605 -4.512 1.00 0.00 C ATOM 1030 O PRO A 69 11.750 -16.190 -3.652 1.00 0.00 O ATOM 1031 CB PRO A 69 12.455 -14.418 -6.248 1.00 0.00 C ATOM 1032 CG PRO A 69 13.836 -14.338 -5.608 1.00 0.00 C ATOM 1033 CD PRO A 69 13.637 -13.360 -4.456 1.00 0.00 C ATOM 0 HA PRO A 69 10.586 -13.728 -5.355 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.301 -15.372 -6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.313 -13.637 -6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.172 -15.313 -5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.586 -13.980 -6.314 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.299 -13.596 -3.623 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.864 -12.340 -4.764 1.00 0.00 H new ATOM 1041 N GLY A 70 10.015 -16.159 -5.099 1.00 0.00 N ATOM 1042 CA GLY A 70 9.578 -17.531 -4.887 1.00 0.00 C ATOM 1043 C GLY A 70 8.210 -17.627 -4.225 1.00 0.00 C ATOM 1044 O GLY A 70 7.498 -18.611 -4.457 1.00 0.00 O ATOM 0 H GLY A 70 9.422 -15.648 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.548 -18.049 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.311 -18.048 -4.268 1.00 0.00 H new ATOM 1048 N ILE A 71 7.838 -16.619 -3.437 1.00 0.00 N ATOM 1049 CA ILE A 71 6.641 -16.576 -2.608 1.00 0.00 C ATOM 1050 C ILE A 71 5.713 -15.492 -3.178 1.00 0.00 C ATOM 1051 O ILE A 71 6.157 -14.584 -3.888 1.00 0.00 O ATOM 1052 CB ILE A 71 7.082 -16.389 -1.126 1.00 0.00 C ATOM 1053 CG1 ILE A 71 7.355 -17.737 -0.417 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.089 -15.626 -0.240 1.00 0.00 C ATOM 1055 CD1 ILE A 71 8.553 -18.538 -0.934 1.00 0.00 C ATOM 0 H ILE A 71 8.394 -15.768 -3.358 1.00 0.00 H new ATOM 0 HA ILE A 71 6.060 -17.498 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 71 7.990 -15.794 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.505 -17.542 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.463 -18.358 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.488 -15.549 0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.933 -14.626 -0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.139 -16.160 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.647 -19.462 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.405 -18.776 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.462 -17.947 -0.820 1.00 0.00 H new ATOM 1067 N ASP A 72 4.414 -15.610 -2.904 1.00 0.00 N ATOM 1068 CA ASP A 72 3.395 -14.620 -3.235 1.00 0.00 C ATOM 1069 C ASP A 72 3.324 -13.634 -2.078 1.00 0.00 C ATOM 1070 O ASP A 72 3.356 -14.059 -0.923 1.00 0.00 O ATOM 1071 CB ASP A 72 2.055 -15.328 -3.449 1.00 0.00 C ATOM 1072 CG ASP A 72 1.031 -14.482 -4.209 1.00 0.00 C ATOM 1073 OD1 ASP A 72 0.987 -13.237 -4.094 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.260 -15.092 -4.981 1.00 0.00 O ATOM 0 H ASP A 72 4.031 -16.427 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 72 3.637 -14.085 -4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.226 -16.255 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.639 -15.603 -2.479 1.00 0.00 H new ATOM 1079 N TYR A 73 3.269 -12.335 -2.353 1.00 0.00 N ATOM 1080 CA TYR A 73 3.296 -11.287 -1.346 1.00 0.00 C ATOM 1081 C TYR A 73 2.024 -10.464 -1.487 1.00 0.00 C ATOM 1082 O TYR A 73 1.734 -9.960 -2.571 1.00 0.00 O ATOM 1083 CB TYR A 73 4.548 -10.405 -1.477 1.00 0.00 C ATOM 1084 CG TYR A 73 5.848 -11.012 -0.965 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.428 -12.110 -1.628 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.520 -10.441 0.137 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.652 -12.645 -1.193 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.753 -10.966 0.569 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.317 -12.081 -0.085 1.00 0.00 C ATOM 1090 OH TYR A 73 9.498 -12.604 0.337 1.00 0.00 O ATOM 0 H TYR A 73 3.203 -11.976 -3.305 1.00 0.00 H new ATOM 0 HA TYR A 73 3.342 -11.736 -0.354 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.679 -10.148 -2.528 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.369 -9.473 -0.941 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.927 -12.546 -2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.086 -9.597 0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.084 -13.490 -1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.268 -10.514 1.403 1.00 0.00 H new ATOM 0 HH TYR A 73 9.822 -12.097 1.110 1.00 0.00 H new ATOM 1100 N ASP A 74 1.300 -10.303 -0.381 1.00 0.00 N ATOM 1101 CA ASP A 74 0.154 -9.413 -0.232 1.00 0.00 C ATOM 1102 C ASP A 74 0.768 -8.066 0.097 1.00 0.00 C ATOM 1103 O ASP A 74 1.268 -7.890 1.214 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.727 -9.801 0.972 1.00 0.00 C ATOM 1105 CG ASP A 74 -1.939 -10.673 0.705 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -2.813 -10.282 -0.101 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.161 -11.630 1.482 1.00 0.00 O ATOM 0 H ASP A 74 1.508 -10.815 0.476 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.465 -9.439 -1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.097 -10.315 1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.072 -8.882 1.445 1.00 0.00 H new ATOM 1112 N ILE A 75 0.766 -7.119 -0.841 1.00 0.00 N ATOM 1113 CA ILE A 75 1.241 -5.777 -0.547 1.00 0.00 C ATOM 1114 C ILE A 75 -0.013 -4.939 -0.282 1.00 0.00 C ATOM 1115 O ILE A 75 -0.788 -4.616 -1.188 1.00 0.00 O ATOM 1116 CB ILE A 75 2.192 -5.221 -1.628 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.257 -6.247 -2.100 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.824 -3.933 -1.055 1.00 0.00 C ATOM 1119 CD1 ILE A 75 2.926 -6.882 -3.453 1.00 0.00 C ATOM 0 H ILE A 75 0.444 -7.258 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 75 1.881 -5.758 0.335 1.00 0.00 H new ATOM 0 HB ILE A 75 1.627 -5.000 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.225 -5.751 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.352 -7.033 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.506 -3.505 -1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.038 -3.213 -0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.374 -4.171 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.710 -7.589 -3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.972 -7.406 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.860 -6.104 -4.214 1.00 0.00 H new ATOM 1131 N SER A 76 -0.261 -4.680 0.998 1.00 0.00 N ATOM 1132 CA SER A 76 -1.382 -3.918 1.537 1.00 0.00 C ATOM 1133 C SER A 76 -0.949 -2.469 1.681 1.00 0.00 C ATOM 1134 O SER A 76 0.207 -2.208 2.014 1.00 0.00 O ATOM 1135 CB SER A 76 -1.830 -4.483 2.898 1.00 0.00 C ATOM 1136 OG SER A 76 -1.459 -5.848 3.087 1.00 0.00 O ATOM 0 H SER A 76 0.357 -5.020 1.735 1.00 0.00 H new ATOM 0 HA SER A 76 -2.232 -3.990 0.858 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.395 -3.881 3.696 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.913 -4.392 2.984 1.00 0.00 H new ATOM 0 HG SER A 76 -0.499 -5.903 3.274 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.845 -1.527 1.401 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.544 -0.117 1.297 1.00 0.00 C ATOM 1144 C VAL A 77 -2.781 0.637 1.799 1.00 0.00 C ATOM 1145 O VAL A 77 -3.748 0.869 1.061 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.165 0.222 -0.155 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.712 1.684 -0.219 1.00 0.00 C ATOM 1148 CG2 VAL A 77 -0.116 -0.739 -0.758 1.00 0.00 C ATOM 0 H VAL A 77 -2.829 -1.739 1.236 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.687 0.176 1.904 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.050 0.086 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.441 1.936 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.524 2.331 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.152 1.826 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.104 -0.441 -1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.797 -0.699 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.508 -1.756 -0.752 1.00 0.00 H new ATOM 1158 N ILE A 78 -2.787 0.959 3.087 1.00 0.00 N ATOM 1159 CA ILE A 78 -3.898 1.588 3.777 1.00 0.00 C ATOM 1160 C ILE A 78 -3.804 3.093 3.561 1.00 0.00 C ATOM 1161 O ILE A 78 -2.708 3.653 3.622 1.00 0.00 O ATOM 1162 CB ILE A 78 -3.889 1.205 5.264 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -3.890 -0.325 5.481 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.085 1.857 5.964 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.026 -1.099 4.796 1.00 0.00 C ATOM 0 H ILE A 78 -1.989 0.782 3.697 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.850 1.239 3.376 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.962 1.576 5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.939 -0.723 5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.938 -0.521 6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.080 1.586 7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.017 2.941 5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.010 1.509 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.927 -2.162 5.017 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.986 -0.740 5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.972 -0.946 3.718 1.00 0.00 H new ATOM 1177 N THR A 79 -4.937 3.757 3.319 1.00 0.00 N ATOM 1178 CA THR A 79 -4.995 5.208 3.263 1.00 0.00 C ATOM 1179 C THR A 79 -5.670 5.705 4.540 1.00 0.00 C ATOM 1180 O THR A 79 -6.710 5.172 4.937 1.00 0.00 O ATOM 1181 CB THR A 79 -5.721 5.607 1.974 1.00 0.00 C ATOM 1182 OG1 THR A 79 -4.982 5.128 0.871 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.862 7.122 1.833 1.00 0.00 C ATOM 0 H THR A 79 -5.834 3.299 3.158 1.00 0.00 H new ATOM 0 HA THR A 79 -4.010 5.672 3.226 1.00 0.00 H new ATOM 0 HB THR A 79 -6.721 5.174 2.010 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.597 4.783 0.190 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.383 7.354 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.431 7.514 2.676 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.873 7.580 1.818 1.00 0.00 H new ATOM 1191 N LEU A 80 -5.058 6.697 5.192 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.473 7.223 6.479 1.00 0.00 C ATOM 1193 C LEU A 80 -5.526 8.744 6.358 1.00 0.00 C ATOM 1194 O LEU A 80 -4.508 9.402 6.116 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.545 6.785 7.615 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.042 6.673 7.302 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.242 6.784 8.597 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.669 5.348 6.631 1.00 0.00 C ATOM 0 H LEU A 80 -4.233 7.167 4.819 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.455 6.825 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.666 7.489 8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.887 5.814 7.973 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.807 7.483 6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.178 6.705 8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.444 7.746 9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.532 5.981 9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.597 5.328 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.933 4.520 7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.211 5.251 5.690 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.731 9.301 6.448 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.037 10.678 6.083 1.00 0.00 C ATOM 1212 C ILE A 81 -7.324 11.500 7.339 1.00 0.00 C ATOM 1213 O ILE A 81 -6.912 11.145 8.439 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.046 10.761 4.902 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.533 10.657 5.293 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.732 9.693 3.834 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.477 11.195 4.207 1.00 0.00 C ATOM 0 H ILE A 81 -7.545 8.789 6.788 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.167 11.170 5.648 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.907 11.767 4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.778 9.614 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.700 11.209 6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.451 9.771 3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.726 9.851 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.797 8.701 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.510 11.095 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.256 12.246 4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.336 10.626 3.288 1.00 0.00 H new ATOM 1229 N ASN A 82 -7.928 12.676 7.196 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.585 13.276 8.348 1.00 0.00 C ATOM 1231 C ASN A 82 -9.528 12.271 9.011 1.00 0.00 C ATOM 1232 O ASN A 82 -10.585 11.995 8.440 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.364 14.534 7.952 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.215 14.960 9.137 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -9.687 15.478 10.112 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.495 14.638 9.133 1.00 0.00 N ATOM 0 H ASN A 82 -7.976 13.213 6.330 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.809 13.562 9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.678 15.333 7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.993 14.334 7.085 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.069 14.820 9.956 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.910 14.207 8.307 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.153 11.786 10.199 1.00 0.00 N ATOM 1244 CA GLY A 83 -9.966 10.991 11.107 1.00 0.00 C ATOM 1245 C GLY A 83 -10.862 9.991 10.387 1.00 0.00 C ATOM 1246 O GLY A 83 -12.071 9.959 10.639 1.00 0.00 O ATOM 0 H GLY A 83 -8.217 11.951 10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.313 10.455 11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.585 11.657 11.709 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.284 9.206 9.484 1.00 0.00 N ATOM 1251 CA GLY A 84 -11.009 8.216 8.733 1.00 0.00 C ATOM 1252 C GLY A 84 -10.025 7.392 7.916 1.00 0.00 C ATOM 1253 O GLY A 84 -9.058 7.912 7.361 1.00 0.00 O ATOM 0 H GLY A 84 -9.290 9.248 9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.572 7.570 9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.733 8.698 8.076 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.324 6.108 7.785 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.543 5.127 7.045 1.00 0.00 C ATOM 1259 C GLU A 85 -10.429 4.552 5.951 1.00 0.00 C ATOM 1260 O GLU A 85 -11.662 4.508 6.095 1.00 0.00 O ATOM 1261 CB GLU A 85 -9.080 4.000 7.980 1.00 0.00 C ATOM 1262 CG GLU A 85 -7.709 4.254 8.614 1.00 0.00 C ATOM 1263 CD GLU A 85 -7.293 3.055 9.466 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -7.902 2.840 10.542 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -6.356 2.317 9.085 1.00 0.00 O ATOM 0 H GLU A 85 -11.157 5.702 8.212 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.660 5.600 6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.818 3.869 8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.044 3.066 7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.967 4.431 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.746 5.152 9.230 1.00 0.00 H new ATOM 1272 N SER A 86 -9.801 4.088 4.875 1.00 0.00 N ATOM 1273 CA SER A 86 -10.498 3.741 3.652 1.00 0.00 C ATOM 1274 C SER A 86 -11.069 2.311 3.690 1.00 0.00 C ATOM 1275 O SER A 86 -11.226 1.704 4.757 1.00 0.00 O ATOM 1276 CB SER A 86 -9.606 4.034 2.452 1.00 0.00 C ATOM 1277 OG SER A 86 -8.948 5.274 2.612 1.00 0.00 O ATOM 0 H SER A 86 -8.792 3.944 4.832 1.00 0.00 H new ATOM 0 HA SER A 86 -11.381 4.372 3.550 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.870 3.238 2.336 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.205 4.049 1.542 1.00 0.00 H new ATOM 0 HG SER A 86 -9.185 5.868 1.870 1.00 0.00 H new ATOM 1283 N ALA A 87 -11.475 1.770 2.539 1.00 0.00 N ATOM 1284 CA ALA A 87 -11.444 0.324 2.348 1.00 0.00 C ATOM 1285 C ALA A 87 -9.981 -0.043 2.091 1.00 0.00 C ATOM 1286 O ALA A 87 -9.304 0.747 1.426 1.00 0.00 O ATOM 1287 CB ALA A 87 -12.339 -0.089 1.174 1.00 0.00 C ATOM 0 H ALA A 87 -11.822 2.302 1.741 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.827 -0.201 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.300 -1.171 1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.366 0.217 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.988 0.393 0.262 1.00 0.00 H new ATOM 1293 N PRO A 88 -9.490 -1.204 2.557 1.00 0.00 N ATOM 1294 CA PRO A 88 -8.112 -1.596 2.331 1.00 0.00 C ATOM 1295 C PRO A 88 -7.900 -1.817 0.834 1.00 0.00 C ATOM 1296 O PRO A 88 -8.720 -2.424 0.135 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.883 -2.870 3.154 1.00 0.00 C ATOM 1298 CG PRO A 88 -9.284 -3.478 3.237 1.00 0.00 C ATOM 1299 CD PRO A 88 -10.198 -2.251 3.276 1.00 0.00 C ATOM 0 HA PRO A 88 -7.397 -0.834 2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.178 -3.544 2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.480 -2.646 4.142 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.499 -4.113 2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.402 -4.096 4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.159 -2.465 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.403 -1.949 4.303 1.00 0.00 H new ATOM 1307 N THR A 89 -6.775 -1.328 0.342 1.00 0.00 N ATOM 1308 CA THR A 89 -6.261 -1.601 -0.979 1.00 0.00 C ATOM 1309 C THR A 89 -5.100 -2.575 -0.771 1.00 0.00 C ATOM 1310 O THR A 89 -4.036 -2.174 -0.297 1.00 0.00 O ATOM 1311 CB THR A 89 -5.839 -0.276 -1.627 1.00 0.00 C ATOM 1312 OG1 THR A 89 -6.895 0.676 -1.680 1.00 0.00 O ATOM 1313 CG2 THR A 89 -5.346 -0.470 -3.047 1.00 0.00 C ATOM 0 H THR A 89 -6.173 -0.704 0.879 1.00 0.00 H new ATOM 0 HA THR A 89 -6.990 -2.048 -1.655 1.00 0.00 H new ATOM 0 HB THR A 89 -5.038 0.097 -0.989 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.572 1.500 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.058 0.494 -3.467 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.484 -1.137 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.141 -0.906 -3.652 1.00 0.00 H new ATOM 1321 N THR A 90 -5.306 -3.852 -1.085 1.00 0.00 N ATOM 1322 CA THR A 90 -4.256 -4.864 -1.073 1.00 0.00 C ATOM 1323 C THR A 90 -4.233 -5.495 -2.460 1.00 0.00 C ATOM 1324 O THR A 90 -5.291 -5.765 -3.048 1.00 0.00 O ATOM 1325 CB THR A 90 -4.515 -5.905 0.034 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.908 -5.274 1.242 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.331 -6.838 0.298 1.00 0.00 C ATOM 0 H THR A 90 -6.219 -4.216 -1.358 1.00 0.00 H new ATOM 0 HA THR A 90 -3.284 -4.424 -0.850 1.00 0.00 H new ATOM 0 HB THR A 90 -5.327 -6.529 -0.340 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.068 -5.954 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.591 -7.541 1.089 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.091 -7.388 -0.612 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.466 -6.250 0.605 1.00 0.00 H new ATOM 1335 N LEU A 91 -3.036 -5.711 -2.997 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.821 -6.434 -4.239 1.00 0.00 C ATOM 1337 C LEU A 91 -1.763 -7.491 -3.945 1.00 0.00 C ATOM 1338 O LEU A 91 -0.719 -7.152 -3.385 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.446 -5.476 -5.385 1.00 0.00 C ATOM 1340 CG LEU A 91 -3.544 -5.345 -6.453 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -3.220 -4.179 -7.395 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -3.661 -6.633 -7.274 1.00 0.00 C ATOM 0 H LEU A 91 -2.172 -5.380 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.730 -6.924 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.233 -4.491 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.529 -5.828 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.491 -5.160 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.002 -4.092 -8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.164 -3.253 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.263 -4.362 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.444 -6.517 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.712 -6.836 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.911 -7.464 -6.614 1.00 0.00 H new ATOM 1354 N THR A 92 -2.050 -8.754 -4.248 1.00 0.00 N ATOM 1355 CA THR A 92 -1.103 -9.848 -4.084 1.00 0.00 C ATOM 1356 C THR A 92 -0.371 -10.048 -5.417 1.00 0.00 C ATOM 1357 O THR A 92 -0.965 -9.851 -6.482 1.00 0.00 O ATOM 1358 CB THR A 92 -1.851 -11.083 -3.537 1.00 0.00 C ATOM 1359 OG1 THR A 92 -1.019 -12.006 -2.868 1.00 0.00 O ATOM 1360 CG2 THR A 92 -2.693 -11.825 -4.572 1.00 0.00 C ATOM 0 H THR A 92 -2.954 -9.047 -4.617 1.00 0.00 H new ATOM 0 HA THR A 92 -0.329 -9.637 -3.346 1.00 0.00 H new ATOM 0 HB THR A 92 -2.532 -10.640 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.354 -12.361 -3.494 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.182 -12.677 -4.100 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.449 -11.152 -4.977 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.051 -12.177 -5.379 1.00 0.00 H new ATOM 1368 N GLN A 93 0.911 -10.420 -5.389 1.00 0.00 N ATOM 1369 CA GLN A 93 1.685 -10.769 -6.574 1.00 0.00 C ATOM 1370 C GLN A 93 2.820 -11.708 -6.145 1.00 0.00 C ATOM 1371 O GLN A 93 3.467 -11.475 -5.121 1.00 0.00 O ATOM 1372 CB GLN A 93 2.232 -9.489 -7.246 1.00 0.00 C ATOM 1373 CG GLN A 93 2.521 -9.654 -8.749 1.00 0.00 C ATOM 1374 CD GLN A 93 1.243 -9.635 -9.596 1.00 0.00 C ATOM 1375 OE1 GLN A 93 0.719 -8.570 -9.930 1.00 0.00 O ATOM 1376 NE2 GLN A 93 0.721 -10.785 -9.984 1.00 0.00 N ATOM 0 H GLN A 93 1.447 -10.487 -4.524 1.00 0.00 H new ATOM 0 HA GLN A 93 1.058 -11.277 -7.307 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.512 -8.682 -7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.149 -9.187 -6.740 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.184 -8.854 -9.079 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.049 -10.593 -8.914 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.158 -11.663 -9.705 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.119 -10.794 -10.562 1.00 0.00 H new ATOM 1385 N GLN A 94 3.097 -12.744 -6.934 1.00 0.00 N ATOM 1386 CA GLN A 94 4.265 -13.605 -6.795 1.00 0.00 C ATOM 1387 C GLN A 94 5.354 -13.087 -7.726 1.00 0.00 C ATOM 1388 O GLN A 94 5.055 -12.751 -8.877 1.00 0.00 O ATOM 1389 CB GLN A 94 3.842 -15.034 -7.138 1.00 0.00 C ATOM 1390 CG GLN A 94 4.837 -16.120 -6.717 1.00 0.00 C ATOM 1391 CD GLN A 94 4.345 -17.496 -7.156 1.00 0.00 C ATOM 1392 OE1 GLN A 94 3.604 -18.185 -6.456 1.00 0.00 O ATOM 1393 NE2 GLN A 94 4.735 -17.948 -8.331 1.00 0.00 N ATOM 0 H GLN A 94 2.495 -13.014 -7.711 1.00 0.00 H new ATOM 0 HA GLN A 94 4.661 -13.601 -5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.882 -15.237 -6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.686 -15.103 -8.215 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.813 -15.918 -7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.967 -16.102 -5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.349 -17.382 -8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.423 -18.863 -8.655 1.00 0.00 H new ATOM 1402 N THR A 95 6.593 -13.023 -7.237 1.00 0.00 N ATOM 1403 CA THR A 95 7.728 -12.456 -7.962 1.00 0.00 C ATOM 1404 C THR A 95 8.951 -13.359 -7.738 1.00 0.00 C ATOM 1405 O THR A 95 8.808 -14.516 -7.269 1.00 0.00 O ATOM 1406 CB THR A 95 7.931 -10.972 -7.552 1.00 0.00 C ATOM 1407 OG1 THR A 95 6.692 -10.296 -7.415 1.00 0.00 O ATOM 1408 CG2 THR A 95 8.711 -10.144 -8.580 1.00 0.00 C ATOM 1409 OXT THR A 95 10.052 -12.993 -8.196 1.00 0.00 O ATOM 0 H THR A 95 6.839 -13.370 -6.310 1.00 0.00 H new ATOM 0 HA THR A 95 7.550 -12.432 -9.037 1.00 0.00 H new ATOM 0 HB THR A 95 8.485 -11.040 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.854 -9.365 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.811 -9.120 -8.222 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.701 -10.578 -8.721 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.176 -10.145 -9.530 1.00 0.00 H new TER 1417 THR A 95