USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 544 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 4 MET CE :methyl -132:sc= -0.363 (180deg=-1.26!) USER MOD Set 1.2: A 63 CYS SG : rot 172:sc= -1.16 USER MOD Set 2.1: A 33 SER OG : rot 150:sc= -0.0137 USER MOD Set 2.2: A 35 SER OG : rot 54:sc= 0.9 USER MOD Set 2.3: A 70 MET CE :methyl 147:sc= -4.33! (180deg=-7.5!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -98:sc= 0.16 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 51:sc= 1.97 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 25:sc= -0.78 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0459 X(o=-0.046,f=-0.49) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -127:sc= -0.373 (180deg=-3.64!) USER MOD Single : A 48 THR OG1 : rot 110:sc= -0.741 USER MOD Single : A 57 ASN : amide:sc= -0.094 X(o=-0.094,f=0) USER MOD Single : A 61 SER OG : rot -171:sc= 0.495 USER MOD Single : A 64 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.64) USER MOD Single : A 66 ASN : amide:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.291 -1.245 -3.388 1.00 0.00 N ATOM 24 CA ASP A 3 8.043 -1.171 -4.636 1.00 0.00 C ATOM 25 C ASP A 3 8.945 -2.390 -4.800 1.00 0.00 C ATOM 26 O ASP A 3 9.039 -2.963 -5.885 1.00 0.00 O ATOM 27 CB ASP A 3 8.881 0.108 -4.675 1.00 0.00 C ATOM 28 CG ASP A 3 8.032 1.352 -4.850 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.886 1.225 -5.332 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.512 2.451 -4.505 1.00 0.00 O ATOM 0 HA ASP A 3 7.331 -1.155 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.455 0.191 -3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.599 0.044 -5.493 1.00 0.00 H new ATOM 35 N MET A 4 9.606 -2.781 -3.715 1.00 0.00 N ATOM 36 CA MET A 4 10.501 -3.932 -3.739 1.00 0.00 C ATOM 37 C MET A 4 10.062 -4.983 -2.724 1.00 0.00 C ATOM 38 O MET A 4 10.296 -6.176 -2.912 1.00 0.00 O ATOM 39 CB MET A 4 11.938 -3.495 -3.449 1.00 0.00 C ATOM 40 CG MET A 4 12.102 -2.794 -2.110 1.00 0.00 C ATOM 41 SD MET A 4 11.902 -1.007 -2.233 1.00 0.00 S ATOM 42 CE MET A 4 13.249 -0.590 -3.337 1.00 0.00 C ATOM 0 H MET A 4 9.539 -2.318 -2.809 1.00 0.00 H new ATOM 0 HA MET A 4 10.458 -4.373 -4.735 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.587 -4.370 -3.473 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.273 -2.827 -4.243 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.371 -3.190 -1.405 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.089 -3.018 -1.705 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.808 0.251 -2.927 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.912 -1.449 -3.443 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.848 -0.318 -4.313 1.00 0.00 H new ATOM 52 N GLU A 5 9.426 -4.530 -1.648 1.00 0.00 N ATOM 53 CA GLU A 5 8.956 -5.433 -0.603 1.00 0.00 C ATOM 54 C GLU A 5 7.796 -6.288 -1.104 1.00 0.00 C ATOM 55 O GLU A 5 7.529 -7.364 -0.570 1.00 0.00 O ATOM 56 CB GLU A 5 8.523 -4.638 0.631 1.00 0.00 C ATOM 57 CG GLU A 5 7.231 -3.863 0.433 1.00 0.00 C ATOM 58 CD GLU A 5 6.705 -3.266 1.724 1.00 0.00 C ATOM 59 OE1 GLU A 5 7.163 -2.166 2.099 1.00 0.00 O ATOM 60 OE2 GLU A 5 5.836 -3.899 2.360 1.00 0.00 O ATOM 0 H GLU A 5 9.225 -3.545 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 5 9.780 -6.093 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.401 -5.323 1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.317 -3.942 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.398 -3.065 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.476 -4.525 0.009 1.00 0.00 H new ATOM 67 N ARG A 6 7.110 -5.800 -2.133 1.00 0.00 N ATOM 68 CA ARG A 6 5.977 -6.518 -2.705 1.00 0.00 C ATOM 69 C ARG A 6 6.452 -7.653 -3.607 1.00 0.00 C ATOM 70 O ARG A 6 5.738 -8.634 -3.816 1.00 0.00 O ATOM 71 CB ARG A 6 5.087 -5.559 -3.499 1.00 0.00 C ATOM 72 CG ARG A 6 4.011 -6.260 -4.312 1.00 0.00 C ATOM 73 CD ARG A 6 3.077 -7.067 -3.424 1.00 0.00 C ATOM 74 NE ARG A 6 2.268 -6.211 -2.561 1.00 0.00 N ATOM 75 CZ ARG A 6 1.431 -6.676 -1.640 1.00 0.00 C ATOM 76 NH1 ARG A 6 1.294 -7.983 -1.464 1.00 0.00 N ATOM 77 NH2 ARG A 6 0.729 -5.834 -0.893 1.00 0.00 N ATOM 0 H ARG A 6 7.319 -4.911 -2.587 1.00 0.00 H new ATOM 0 HA ARG A 6 5.399 -6.946 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.613 -4.861 -2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.711 -4.969 -4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.436 -5.521 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.478 -6.919 -5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.422 -7.677 -4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.662 -7.752 -2.810 1.00 0.00 H new ATOM 0 HE ARG A 6 2.350 -5.200 -2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.832 -8.634 -2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.651 -8.338 -0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.831 -4.828 -1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.087 -6.193 -0.186 1.00 0.00 H new ATOM 91 N ILE A 7 7.662 -7.512 -4.139 1.00 0.00 N ATOM 92 CA ILE A 7 8.232 -8.525 -5.018 1.00 0.00 C ATOM 93 C ILE A 7 9.175 -9.448 -4.253 1.00 0.00 C ATOM 94 O ILE A 7 9.189 -10.659 -4.474 1.00 0.00 O ATOM 95 CB ILE A 7 8.997 -7.886 -6.192 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.482 -6.469 -6.454 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.863 -8.744 -7.441 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.098 -5.819 -7.673 1.00 0.00 C ATOM 0 H ILE A 7 8.266 -6.706 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 7 7.399 -9.106 -5.412 1.00 0.00 H new ATOM 0 HB ILE A 7 10.053 -7.825 -5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.399 -6.501 -6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.685 -5.850 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.409 -8.279 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.273 -9.735 -7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.810 -8.833 -7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.687 -4.817 -7.798 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.178 -5.755 -7.544 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.873 -6.416 -8.557 1.00 0.00 H new ATOM 110 N PHE A 8 9.960 -8.868 -3.352 1.00 0.00 N ATOM 111 CA PHE A 8 10.906 -9.638 -2.553 1.00 0.00 C ATOM 112 C PHE A 8 10.200 -10.775 -1.820 1.00 0.00 C ATOM 113 O PHE A 8 10.527 -11.947 -2.004 1.00 0.00 O ATOM 114 CB PHE A 8 11.615 -8.730 -1.547 1.00 0.00 C ATOM 115 CG PHE A 8 12.283 -9.479 -0.429 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.361 -10.311 -0.683 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.832 -9.350 0.875 1.00 0.00 C ATOM 118 CE1 PHE A 8 13.978 -11.002 0.343 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.445 -10.038 1.905 1.00 0.00 C ATOM 120 CZ PHE A 8 13.518 -10.866 1.639 1.00 0.00 C ATOM 0 H PHE A 8 9.960 -7.867 -3.157 1.00 0.00 H new ATOM 0 HA PHE A 8 11.646 -10.068 -3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.362 -8.134 -2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.890 -8.034 -1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.724 -10.421 -1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 8 10.993 -8.705 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.818 -11.647 0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.085 -9.928 2.917 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.997 -11.406 2.442 1.00 0.00 H new ATOM 130 N LYS A 9 9.228 -10.419 -0.986 1.00 0.00 N ATOM 131 CA LYS A 9 8.474 -11.406 -0.224 1.00 0.00 C ATOM 132 C LYS A 9 7.842 -12.441 -1.149 1.00 0.00 C ATOM 133 O LYS A 9 7.644 -13.594 -0.764 1.00 0.00 O ATOM 134 CB LYS A 9 7.388 -10.719 0.607 1.00 0.00 C ATOM 135 CG LYS A 9 7.916 -10.050 1.864 1.00 0.00 C ATOM 136 CD LYS A 9 6.793 -9.719 2.833 1.00 0.00 C ATOM 137 CE LYS A 9 6.541 -10.861 3.806 1.00 0.00 C ATOM 138 NZ LYS A 9 7.353 -10.722 5.047 1.00 0.00 N ATOM 0 H LYS A 9 8.944 -9.453 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 9 9.166 -11.917 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.889 -9.972 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.635 -11.456 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.637 -10.707 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.447 -9.137 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.045 -8.815 3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.881 -9.507 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.483 -10.890 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.776 -11.809 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.153 -11.519 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.364 -10.720 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.110 -9.830 5.523 1.00 0.00 H new ATOM 152 N ARG A 10 7.529 -12.023 -2.371 1.00 0.00 N ATOM 153 CA ARG A 10 6.920 -12.914 -3.351 1.00 0.00 C ATOM 154 C ARG A 10 7.896 -14.009 -3.771 1.00 0.00 C ATOM 155 O ARG A 10 7.535 -15.184 -3.841 1.00 0.00 O ATOM 156 CB ARG A 10 6.466 -12.122 -4.579 1.00 0.00 C ATOM 157 CG ARG A 10 4.967 -12.183 -4.823 1.00 0.00 C ATOM 158 CD ARG A 10 4.186 -11.680 -3.619 1.00 0.00 C ATOM 159 NE ARG A 10 2.807 -11.344 -3.963 1.00 0.00 N ATOM 160 CZ ARG A 10 1.852 -12.250 -4.141 1.00 0.00 C ATOM 161 NH1 ARG A 10 2.125 -13.541 -4.008 1.00 0.00 N ATOM 162 NH2 ARG A 10 0.621 -11.866 -4.452 1.00 0.00 N ATOM 0 H ARG A 10 7.687 -11.073 -2.706 1.00 0.00 H new ATOM 0 HA ARG A 10 6.052 -13.383 -2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.764 -11.080 -4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.985 -12.503 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.715 -11.584 -5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.675 -13.209 -5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.190 -12.442 -2.840 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.681 -10.801 -3.207 1.00 0.00 H new ATOM 0 HE ARG A 10 2.564 -10.359 -4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.070 -13.840 -3.768 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.390 -14.235 -4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.407 -10.874 -4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.111 -12.563 -4.588 1.00 0.00 H new ATOM 176 N PHE A 11 9.135 -13.615 -4.049 1.00 0.00 N ATOM 177 CA PHE A 11 10.163 -14.563 -4.463 1.00 0.00 C ATOM 178 C PHE A 11 10.731 -15.309 -3.260 1.00 0.00 C ATOM 179 O PHE A 11 11.277 -16.404 -3.396 1.00 0.00 O ATOM 180 CB PHE A 11 11.287 -13.836 -5.205 1.00 0.00 C ATOM 181 CG PHE A 11 10.882 -13.330 -6.559 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.453 -14.208 -7.542 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.930 -11.976 -6.850 1.00 0.00 C ATOM 184 CE1 PHE A 11 10.081 -13.744 -8.790 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.559 -11.507 -8.096 1.00 0.00 C ATOM 186 CZ PHE A 11 10.132 -12.392 -9.067 1.00 0.00 C ATOM 0 H PHE A 11 9.451 -12.647 -3.995 1.00 0.00 H new ATOM 0 HA PHE A 11 9.704 -15.289 -5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.628 -12.996 -4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.134 -14.512 -5.317 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.409 -15.266 -7.331 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.261 -11.279 -6.094 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.751 -14.439 -9.548 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.603 -10.449 -8.310 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.839 -12.027 -10.040 1.00 0.00 H new ATOM 196 N ASP A 12 10.599 -14.708 -2.083 1.00 0.00 N ATOM 197 CA ASP A 12 11.098 -15.315 -0.854 1.00 0.00 C ATOM 198 C ASP A 12 10.110 -16.345 -0.316 1.00 0.00 C ATOM 199 O ASP A 12 9.651 -16.246 0.823 1.00 0.00 O ATOM 200 CB ASP A 12 11.359 -14.240 0.202 1.00 0.00 C ATOM 201 CG ASP A 12 12.192 -14.755 1.359 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.619 -15.927 1.308 1.00 0.00 O ATOM 203 OD2 ASP A 12 12.418 -13.985 2.315 1.00 0.00 O ATOM 0 H ASP A 12 10.151 -13.801 -1.954 1.00 0.00 H new ATOM 0 HA ASP A 12 12.035 -15.823 -1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.869 -13.396 -0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.407 -13.868 0.581 1.00 0.00 H new ATOM 208 N THR A 13 9.784 -17.334 -1.142 1.00 0.00 N ATOM 209 CA THR A 13 8.848 -18.380 -0.751 1.00 0.00 C ATOM 210 C THR A 13 9.536 -19.740 -0.694 1.00 0.00 C ATOM 211 O THR A 13 8.877 -20.778 -0.654 1.00 0.00 O ATOM 212 CB THR A 13 7.656 -18.461 -1.723 1.00 0.00 C ATOM 213 OG1 THR A 13 8.096 -18.198 -3.060 1.00 0.00 O ATOM 214 CG2 THR A 13 6.573 -17.465 -1.335 1.00 0.00 C ATOM 0 H THR A 13 10.155 -17.432 -2.087 1.00 0.00 H new ATOM 0 HA THR A 13 8.480 -18.119 0.241 1.00 0.00 H new ATOM 0 HB THR A 13 7.239 -19.467 -1.669 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.914 -17.262 -3.286 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.741 -17.540 -2.036 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.220 -17.685 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.981 -16.455 -1.363 1.00 0.00 H new ATOM 255 N GLY A 17 14.715 -17.344 3.113 1.00 0.00 N ATOM 256 CA GLY A 17 14.734 -15.903 3.285 1.00 0.00 C ATOM 257 C GLY A 17 15.282 -15.182 2.070 1.00 0.00 C ATOM 258 O GLY A 17 15.006 -14.000 1.863 1.00 0.00 O ATOM 0 HA2 GLY A 17 13.722 -15.551 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.339 -15.652 4.156 1.00 0.00 H new ATOM 262 N LYS A 18 16.062 -15.893 1.263 1.00 0.00 N ATOM 263 CA LYS A 18 16.651 -15.314 0.061 1.00 0.00 C ATOM 264 C LYS A 18 15.751 -15.541 -1.149 1.00 0.00 C ATOM 265 O LYS A 18 14.641 -16.057 -1.021 1.00 0.00 O ATOM 266 CB LYS A 18 18.033 -15.919 -0.196 1.00 0.00 C ATOM 267 CG LYS A 18 18.861 -16.102 1.064 1.00 0.00 C ATOM 268 CD LYS A 18 20.204 -16.745 0.760 1.00 0.00 C ATOM 269 CE LYS A 18 21.207 -15.723 0.244 1.00 0.00 C ATOM 270 NZ LYS A 18 22.582 -16.288 0.163 1.00 0.00 N ATOM 0 H LYS A 18 16.301 -16.872 1.420 1.00 0.00 H new ATOM 0 HA LYS A 18 16.755 -14.240 0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 18 17.912 -16.886 -0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.578 -15.278 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.019 -15.134 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.313 -16.721 1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.595 -17.217 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.072 -17.533 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 18 20.898 -15.377 -0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 18 21.210 -14.853 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.236 -15.561 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.887 -16.595 1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.585 -17.103 -0.484 1.00 0.00 H new ATOM 284 N ILE A 19 16.239 -15.155 -2.323 1.00 0.00 N ATOM 285 CA ILE A 19 15.479 -15.319 -3.557 1.00 0.00 C ATOM 286 C ILE A 19 16.400 -15.626 -4.733 1.00 0.00 C ATOM 287 O ILE A 19 17.420 -14.965 -4.924 1.00 0.00 O ATOM 288 CB ILE A 19 14.653 -14.061 -3.881 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.570 -12.845 -4.025 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.610 -13.819 -2.800 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.829 -11.559 -4.318 1.00 0.00 C ATOM 0 H ILE A 19 17.157 -14.727 -2.446 1.00 0.00 H new ATOM 0 HA ILE A 19 14.801 -16.158 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 19 14.137 -14.218 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.144 -12.723 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.286 -13.033 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 19 13.034 -12.926 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.941 -14.677 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.107 -13.680 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.543 -10.740 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.277 -11.662 -5.252 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.133 -11.347 -3.506 1.00 0.00 H new ATOM 303 N SER A 20 16.031 -16.632 -5.519 1.00 0.00 N ATOM 304 CA SER A 20 16.825 -17.029 -6.676 1.00 0.00 C ATOM 305 C SER A 20 16.799 -15.945 -7.750 1.00 0.00 C ATOM 306 O SER A 20 15.829 -15.817 -8.497 1.00 0.00 O ATOM 307 CB SER A 20 16.303 -18.346 -7.253 1.00 0.00 C ATOM 308 OG SER A 20 17.365 -19.250 -7.503 1.00 0.00 O ATOM 0 H SER A 20 15.187 -17.187 -5.376 1.00 0.00 H new ATOM 0 HA SER A 20 17.855 -17.168 -6.348 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.595 -18.796 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.761 -18.152 -8.179 1.00 0.00 H new ATOM 0 HG SER A 20 17.922 -19.330 -6.701 1.00 0.00 H new ATOM 314 N LEU A 21 17.873 -15.165 -7.820 1.00 0.00 N ATOM 315 CA LEU A 21 17.975 -14.091 -8.802 1.00 0.00 C ATOM 316 C LEU A 21 17.620 -14.593 -10.197 1.00 0.00 C ATOM 317 O LEU A 21 16.859 -13.954 -10.923 1.00 0.00 O ATOM 318 CB LEU A 21 19.389 -13.507 -8.801 1.00 0.00 C ATOM 319 CG LEU A 21 20.485 -14.401 -8.221 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.750 -14.307 -9.059 1.00 0.00 C ATOM 321 CD2 LEU A 21 20.771 -14.023 -6.775 1.00 0.00 C ATOM 0 H LEU A 21 18.685 -15.256 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 21 17.266 -13.311 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.658 -13.257 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.374 -12.573 -8.239 1.00 0.00 H new ATOM 0 HG LEU A 21 20.136 -15.433 -8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.519 -14.950 -8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.536 -14.627 -10.079 1.00 0.00 H new ATOM 0 HD13 LEU A 21 22.104 -13.276 -9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.554 -14.669 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 21 21.100 -12.985 -6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.865 -14.144 -6.181 1.00 0.00 H new ATOM 333 N SER A 22 18.176 -15.743 -10.566 1.00 0.00 N ATOM 334 CA SER A 22 17.920 -16.331 -11.876 1.00 0.00 C ATOM 335 C SER A 22 16.423 -16.371 -12.170 1.00 0.00 C ATOM 336 O SER A 22 16.005 -16.289 -13.324 1.00 0.00 O ATOM 337 CB SER A 22 18.503 -17.743 -11.948 1.00 0.00 C ATOM 338 OG SER A 22 18.788 -18.110 -13.286 1.00 0.00 O ATOM 0 H SER A 22 18.807 -16.286 -9.976 1.00 0.00 H new ATOM 0 HA SER A 22 18.404 -15.707 -12.628 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.414 -17.794 -11.352 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.798 -18.453 -11.515 1.00 0.00 H new ATOM 0 HG SER A 22 19.161 -19.016 -13.304 1.00 0.00 H new ATOM 344 N GLU A 23 15.623 -16.498 -11.116 1.00 0.00 N ATOM 345 CA GLU A 23 14.173 -16.550 -11.261 1.00 0.00 C ATOM 346 C GLU A 23 13.572 -15.147 -11.229 1.00 0.00 C ATOM 347 O GLU A 23 12.555 -14.881 -11.870 1.00 0.00 O ATOM 348 CB GLU A 23 13.558 -17.405 -10.151 1.00 0.00 C ATOM 349 CG GLU A 23 13.587 -18.895 -10.444 1.00 0.00 C ATOM 350 CD GLU A 23 14.986 -19.407 -10.726 1.00 0.00 C ATOM 351 OE1 GLU A 23 15.454 -19.252 -11.873 1.00 0.00 O ATOM 352 OE2 GLU A 23 15.613 -19.963 -9.800 1.00 0.00 O ATOM 0 H GLU A 23 15.954 -16.567 -10.154 1.00 0.00 H new ATOM 0 HA GLU A 23 13.946 -17.002 -12.227 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.092 -17.216 -9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.525 -17.094 -9.994 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.170 -19.437 -9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.947 -19.105 -11.301 1.00 0.00 H new ATOM 359 N LEU A 24 14.208 -14.255 -10.479 1.00 0.00 N ATOM 360 CA LEU A 24 13.738 -12.879 -10.362 1.00 0.00 C ATOM 361 C LEU A 24 13.986 -12.107 -11.654 1.00 0.00 C ATOM 362 O LEU A 24 13.064 -11.535 -12.236 1.00 0.00 O ATOM 363 CB LEU A 24 14.434 -12.178 -9.194 1.00 0.00 C ATOM 364 CG LEU A 24 13.923 -10.779 -8.850 1.00 0.00 C ATOM 365 CD1 LEU A 24 14.141 -10.479 -7.375 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.608 -9.732 -9.716 1.00 0.00 C ATOM 0 H LEU A 24 15.051 -14.460 -9.942 1.00 0.00 H new ATOM 0 HA LEU A 24 12.664 -12.903 -10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.336 -12.807 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.498 -12.109 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 24 12.853 -10.745 -9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.771 -9.479 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.603 -11.210 -6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.205 -10.533 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.231 -8.742 -9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.684 -9.767 -9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.400 -9.936 -10.766 1.00 0.00 H new ATOM 378 N THR A 25 15.239 -12.096 -12.100 1.00 0.00 N ATOM 379 CA THR A 25 15.609 -11.396 -13.324 1.00 0.00 C ATOM 380 C THR A 25 14.729 -11.827 -14.491 1.00 0.00 C ATOM 381 O THR A 25 14.537 -11.076 -15.447 1.00 0.00 O ATOM 382 CB THR A 25 17.084 -11.645 -13.689 1.00 0.00 C ATOM 383 OG1 THR A 25 17.422 -10.927 -14.881 1.00 0.00 O ATOM 384 CG2 THR A 25 17.349 -13.129 -13.892 1.00 0.00 C ATOM 0 H THR A 25 16.015 -12.564 -11.631 1.00 0.00 H new ATOM 0 HA THR A 25 15.463 -10.332 -13.136 1.00 0.00 H new ATOM 0 HB THR A 25 17.703 -11.292 -12.865 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.822 -10.159 -14.981 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.398 -13.280 -14.149 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.119 -13.669 -12.973 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.720 -13.504 -14.700 1.00 0.00 H new ATOM 392 N ASP A 26 14.195 -13.041 -14.407 1.00 0.00 N ATOM 393 CA ASP A 26 13.333 -13.572 -15.457 1.00 0.00 C ATOM 394 C ASP A 26 11.862 -13.374 -15.104 1.00 0.00 C ATOM 395 O ASP A 26 10.997 -13.381 -15.979 1.00 0.00 O ATOM 396 CB ASP A 26 13.621 -15.057 -15.681 1.00 0.00 C ATOM 397 CG ASP A 26 13.242 -15.517 -17.074 1.00 0.00 C ATOM 398 OD1 ASP A 26 12.426 -14.830 -17.725 1.00 0.00 O ATOM 399 OD2 ASP A 26 13.761 -16.563 -17.515 1.00 0.00 O ATOM 0 H ASP A 26 14.344 -13.676 -13.623 1.00 0.00 H new ATOM 0 HA ASP A 26 13.544 -13.027 -16.377 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.681 -15.247 -15.515 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.072 -15.645 -14.946 1.00 0.00 H new ATOM 404 N ALA A 27 11.586 -13.199 -13.816 1.00 0.00 N ATOM 405 CA ALA A 27 10.221 -12.998 -13.347 1.00 0.00 C ATOM 406 C ALA A 27 9.892 -11.514 -13.233 1.00 0.00 C ATOM 407 O ALA A 27 8.948 -11.128 -12.543 1.00 0.00 O ATOM 408 CB ALA A 27 10.015 -13.691 -12.008 1.00 0.00 C ATOM 0 H ALA A 27 12.290 -13.192 -13.078 1.00 0.00 H new ATOM 0 HA ALA A 27 9.544 -13.438 -14.079 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.991 -13.532 -11.670 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.199 -14.760 -12.119 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.707 -13.278 -11.274 1.00 0.00 H new ATOM 414 N LEU A 28 10.676 -10.685 -13.913 1.00 0.00 N ATOM 415 CA LEU A 28 10.469 -9.241 -13.888 1.00 0.00 C ATOM 416 C LEU A 28 9.699 -8.780 -15.121 1.00 0.00 C ATOM 417 O LEU A 28 8.656 -8.136 -15.009 1.00 0.00 O ATOM 418 CB LEU A 28 11.812 -8.514 -13.810 1.00 0.00 C ATOM 419 CG LEU A 28 12.344 -8.236 -12.404 1.00 0.00 C ATOM 420 CD1 LEU A 28 13.863 -8.303 -12.385 1.00 0.00 C ATOM 421 CD2 LEU A 28 11.863 -6.879 -11.911 1.00 0.00 C ATOM 0 H LEU A 28 11.461 -10.988 -14.489 1.00 0.00 H new ATOM 0 HA LEU A 28 9.880 -8.999 -13.003 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.554 -9.105 -14.347 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.719 -7.564 -14.336 1.00 0.00 H new ATOM 0 HG LEU A 28 11.958 -9.003 -11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.223 -8.102 -11.376 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.187 -9.296 -12.695 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.269 -7.558 -13.070 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.251 -6.698 -10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.220 -6.100 -12.585 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.773 -6.866 -11.886 1.00 0.00 H new ATOM 433 N ARG A 29 10.219 -9.116 -16.297 1.00 0.00 N ATOM 434 CA ARG A 29 9.580 -8.737 -17.552 1.00 0.00 C ATOM 435 C ARG A 29 8.101 -9.111 -17.543 1.00 0.00 C ATOM 436 O ARG A 29 7.266 -8.402 -18.107 1.00 0.00 O ATOM 437 CB ARG A 29 10.281 -9.414 -18.731 1.00 0.00 C ATOM 438 CG ARG A 29 10.627 -10.873 -18.477 1.00 0.00 C ATOM 439 CD ARG A 29 11.128 -11.554 -19.741 1.00 0.00 C ATOM 440 NE ARG A 29 10.340 -12.738 -20.074 1.00 0.00 N ATOM 441 CZ ARG A 29 9.192 -12.693 -20.740 1.00 0.00 C ATOM 442 NH1 ARG A 29 8.700 -11.529 -21.143 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.533 -13.814 -21.005 1.00 0.00 N ATOM 0 H ARG A 29 11.081 -9.650 -16.407 1.00 0.00 H new ATOM 0 HA ARG A 29 9.663 -7.656 -17.661 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.640 -9.349 -19.610 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.195 -8.867 -18.962 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.389 -10.938 -17.701 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.747 -11.397 -18.104 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.091 -10.849 -20.571 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.172 -11.838 -19.610 1.00 0.00 H new ATOM 0 HE ARG A 29 10.691 -13.649 -19.779 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.204 -10.665 -20.942 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.818 -11.498 -21.654 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.908 -14.711 -20.697 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.651 -13.778 -21.517 1.00 0.00 H new ATOM 457 N THR A 30 7.782 -10.229 -16.898 1.00 0.00 N ATOM 458 CA THR A 30 6.404 -10.698 -16.817 1.00 0.00 C ATOM 459 C THR A 30 5.523 -9.691 -16.087 1.00 0.00 C ATOM 460 O THR A 30 4.389 -9.432 -16.494 1.00 0.00 O ATOM 461 CB THR A 30 6.315 -12.057 -16.098 1.00 0.00 C ATOM 462 OG1 THR A 30 4.950 -12.482 -16.021 1.00 0.00 O ATOM 463 CG2 THR A 30 6.904 -11.968 -14.698 1.00 0.00 C ATOM 0 H THR A 30 8.459 -10.826 -16.424 1.00 0.00 H new ATOM 0 HA THR A 30 6.048 -10.813 -17.841 1.00 0.00 H new ATOM 0 HB THR A 30 6.890 -12.785 -16.671 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.902 -13.348 -15.564 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.830 -12.940 -14.210 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.951 -11.673 -14.762 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.353 -11.228 -14.118 1.00 0.00 H new ATOM 471 N LEU A 31 6.050 -9.124 -15.007 1.00 0.00 N ATOM 472 CA LEU A 31 5.310 -8.144 -14.219 1.00 0.00 C ATOM 473 C LEU A 31 5.091 -6.860 -15.014 1.00 0.00 C ATOM 474 O LEU A 31 4.122 -6.136 -14.789 1.00 0.00 O ATOM 475 CB LEU A 31 6.059 -7.832 -12.922 1.00 0.00 C ATOM 476 CG LEU A 31 6.633 -9.036 -12.173 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.471 -8.578 -10.990 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.515 -9.959 -11.712 1.00 0.00 C ATOM 0 H LEU A 31 6.987 -9.326 -14.657 1.00 0.00 H new ATOM 0 HA LEU A 31 4.337 -8.570 -13.976 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.877 -7.149 -13.153 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.381 -7.302 -12.253 1.00 0.00 H new ATOM 0 HG LEU A 31 7.277 -9.591 -12.855 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.871 -9.448 -10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.294 -7.958 -11.345 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.850 -8.000 -10.306 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.941 -10.810 -11.181 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.845 -9.415 -11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.956 -10.314 -12.578 1.00 0.00 H new ATOM 490 N GLY A 32 5.998 -6.586 -15.947 1.00 0.00 N ATOM 491 CA GLY A 32 5.885 -5.391 -16.763 1.00 0.00 C ATOM 492 C GLY A 32 7.067 -4.457 -16.590 1.00 0.00 C ATOM 493 O GLY A 32 6.893 -3.266 -16.334 1.00 0.00 O ATOM 0 H GLY A 32 6.809 -7.170 -16.152 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.802 -5.677 -17.812 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.967 -4.863 -16.503 1.00 0.00 H new ATOM 497 N SER A 33 8.273 -4.999 -16.728 1.00 0.00 N ATOM 498 CA SER A 33 9.488 -4.207 -16.580 1.00 0.00 C ATOM 499 C SER A 33 10.323 -4.250 -17.856 1.00 0.00 C ATOM 500 O SER A 33 9.932 -4.864 -18.849 1.00 0.00 O ATOM 501 CB SER A 33 10.314 -4.718 -15.399 1.00 0.00 C ATOM 502 OG SER A 33 11.369 -5.557 -15.839 1.00 0.00 O ATOM 0 H SER A 33 8.434 -5.983 -16.942 1.00 0.00 H new ATOM 0 HA SER A 33 9.198 -3.173 -16.391 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.724 -3.873 -14.845 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.671 -5.268 -14.712 1.00 0.00 H new ATOM 0 HG SER A 33 12.124 -5.486 -15.219 1.00 0.00 H new ATOM 508 N THR A 34 11.478 -3.592 -17.822 1.00 0.00 N ATOM 509 CA THR A 34 12.369 -3.553 -18.975 1.00 0.00 C ATOM 510 C THR A 34 13.768 -4.032 -18.605 1.00 0.00 C ATOM 511 O THR A 34 14.680 -4.013 -19.431 1.00 0.00 O ATOM 512 CB THR A 34 12.464 -2.133 -19.564 1.00 0.00 C ATOM 513 OG1 THR A 34 11.407 -1.317 -19.047 1.00 0.00 O ATOM 514 CG2 THR A 34 12.386 -2.171 -21.083 1.00 0.00 C ATOM 0 H THR A 34 11.818 -3.079 -17.009 1.00 0.00 H new ATOM 0 HA THR A 34 11.945 -4.221 -19.724 1.00 0.00 H new ATOM 0 HB THR A 34 13.425 -1.707 -19.276 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.475 -0.415 -19.425 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.455 -1.157 -21.476 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.209 -2.769 -21.475 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.438 -2.614 -21.388 1.00 0.00 H new ATOM 522 N SER A 35 13.931 -4.461 -17.357 1.00 0.00 N ATOM 523 CA SER A 35 15.221 -4.942 -16.876 1.00 0.00 C ATOM 524 C SER A 35 15.142 -6.417 -16.493 1.00 0.00 C ATOM 525 O SER A 35 15.197 -6.766 -15.314 1.00 0.00 O ATOM 526 CB SER A 35 15.682 -4.115 -15.675 1.00 0.00 C ATOM 527 OG SER A 35 14.805 -4.281 -14.575 1.00 0.00 O ATOM 0 H SER A 35 13.186 -4.485 -16.661 1.00 0.00 H new ATOM 0 HA SER A 35 15.946 -4.832 -17.683 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.690 -4.414 -15.389 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.729 -3.062 -15.951 1.00 0.00 H new ATOM 0 HG SER A 35 14.701 -5.236 -14.381 1.00 0.00 H new ATOM 533 N ALA A 36 15.013 -7.277 -17.497 1.00 0.00 N ATOM 534 CA ALA A 36 14.928 -8.714 -17.267 1.00 0.00 C ATOM 535 C ALA A 36 16.067 -9.450 -17.964 1.00 0.00 C ATOM 536 O ALA A 36 16.340 -10.613 -17.668 1.00 0.00 O ATOM 537 CB ALA A 36 13.584 -9.246 -17.741 1.00 0.00 C ATOM 0 H ALA A 36 14.965 -7.004 -18.479 1.00 0.00 H new ATOM 0 HA ALA A 36 15.018 -8.891 -16.195 1.00 0.00 H new ATOM 0 HB1 ALA A 36 13.535 -10.320 -17.563 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.783 -8.750 -17.193 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.470 -9.049 -18.807 1.00 0.00 H new ATOM 543 N ASP A 37 16.728 -8.765 -18.891 1.00 0.00 N ATOM 544 CA ASP A 37 17.838 -9.354 -19.630 1.00 0.00 C ATOM 545 C ASP A 37 19.145 -8.635 -19.312 1.00 0.00 C ATOM 546 O ASP A 37 20.213 -9.247 -19.299 1.00 0.00 O ATOM 547 CB ASP A 37 17.564 -9.297 -21.134 1.00 0.00 C ATOM 548 CG ASP A 37 16.675 -10.432 -21.604 1.00 0.00 C ATOM 549 OD1 ASP A 37 15.562 -10.577 -21.058 1.00 0.00 O ATOM 550 OD2 ASP A 37 17.093 -11.175 -22.516 1.00 0.00 O ATOM 0 H ASP A 37 16.514 -7.801 -19.148 1.00 0.00 H new ATOM 0 HA ASP A 37 17.933 -10.396 -19.324 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.093 -8.345 -21.379 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.510 -9.333 -21.674 1.00 0.00 H new ATOM 555 N GLU A 38 19.052 -7.334 -19.055 1.00 0.00 N ATOM 556 CA GLU A 38 20.229 -6.533 -18.739 1.00 0.00 C ATOM 557 C GLU A 38 20.956 -7.092 -17.520 1.00 0.00 C ATOM 558 O GLU A 38 22.168 -7.308 -17.550 1.00 0.00 O ATOM 559 CB GLU A 38 19.829 -5.078 -18.484 1.00 0.00 C ATOM 560 CG GLU A 38 18.702 -4.924 -17.477 1.00 0.00 C ATOM 561 CD GLU A 38 18.134 -3.518 -17.447 1.00 0.00 C ATOM 562 OE1 GLU A 38 17.481 -3.122 -18.436 1.00 0.00 O ATOM 563 OE2 GLU A 38 18.341 -2.814 -16.437 1.00 0.00 O ATOM 0 H GLU A 38 18.175 -6.813 -19.059 1.00 0.00 H new ATOM 0 HA GLU A 38 20.904 -6.573 -19.594 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.700 -4.528 -18.129 1.00 0.00 H new ATOM 0 HB3 GLU A 38 19.527 -4.622 -19.427 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.906 -5.628 -17.718 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.069 -5.185 -16.484 1.00 0.00 H new ATOM 570 N VAL A 39 20.207 -7.325 -16.446 1.00 0.00 N ATOM 571 CA VAL A 39 20.779 -7.859 -15.216 1.00 0.00 C ATOM 572 C VAL A 39 20.899 -9.378 -15.281 1.00 0.00 C ATOM 573 O VAL A 39 21.664 -9.982 -14.529 1.00 0.00 O ATOM 574 CB VAL A 39 19.932 -7.474 -13.989 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.479 -7.874 -14.197 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.495 -8.116 -12.730 1.00 0.00 C ATOM 0 H VAL A 39 19.203 -7.152 -16.404 1.00 0.00 H new ATOM 0 HA VAL A 39 21.772 -7.422 -15.113 1.00 0.00 H new ATOM 0 HB VAL A 39 19.972 -6.392 -13.866 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.895 -7.594 -13.320 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.083 -7.363 -15.074 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.416 -8.952 -14.346 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.884 -7.833 -11.873 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.486 -9.200 -12.840 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.519 -7.775 -12.574 1.00 0.00 H new ATOM 586 N GLN A 40 20.139 -9.988 -16.184 1.00 0.00 N ATOM 587 CA GLN A 40 20.161 -11.437 -16.347 1.00 0.00 C ATOM 588 C GLN A 40 21.586 -11.940 -16.554 1.00 0.00 C ATOM 589 O GLN A 40 21.892 -13.099 -16.272 1.00 0.00 O ATOM 590 CB GLN A 40 19.284 -11.852 -17.529 1.00 0.00 C ATOM 591 CG GLN A 40 18.593 -13.192 -17.333 1.00 0.00 C ATOM 592 CD GLN A 40 18.846 -14.152 -18.478 1.00 0.00 C ATOM 593 OE1 GLN A 40 18.920 -13.747 -19.639 1.00 0.00 O ATOM 594 NE2 GLN A 40 18.982 -15.434 -18.158 1.00 0.00 N ATOM 0 H GLN A 40 19.501 -9.502 -16.814 1.00 0.00 H new ATOM 0 HA GLN A 40 19.766 -11.886 -15.436 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.529 -11.084 -17.697 1.00 0.00 H new ATOM 0 HB3 GLN A 40 19.898 -11.897 -18.428 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.940 -13.643 -16.403 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.520 -13.031 -17.229 1.00 0.00 H new ATOM 0 HE21 GLN A 40 18.914 -15.726 -17.183 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.155 -16.126 -18.887 1.00 0.00 H new ATOM 603 N ARG A 41 22.452 -11.062 -17.048 1.00 0.00 N ATOM 604 CA ARG A 41 23.844 -11.419 -17.295 1.00 0.00 C ATOM 605 C ARG A 41 24.784 -10.538 -16.475 1.00 0.00 C ATOM 606 O ARG A 41 25.987 -10.492 -16.731 1.00 0.00 O ATOM 607 CB ARG A 41 24.171 -11.285 -18.783 1.00 0.00 C ATOM 608 CG ARG A 41 24.105 -9.855 -19.295 1.00 0.00 C ATOM 609 CD ARG A 41 25.290 -9.529 -20.191 1.00 0.00 C ATOM 610 NE ARG A 41 24.887 -9.326 -21.579 1.00 0.00 N ATOM 611 CZ ARG A 41 24.694 -10.318 -22.441 1.00 0.00 C ATOM 612 NH1 ARG A 41 24.865 -11.576 -22.058 1.00 0.00 N ATOM 613 NH2 ARG A 41 24.328 -10.053 -23.689 1.00 0.00 N ATOM 0 H ARG A 41 22.215 -10.099 -17.285 1.00 0.00 H new ATOM 0 HA ARG A 41 23.987 -12.456 -16.991 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.170 -11.681 -18.964 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.476 -11.899 -19.356 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.178 -9.708 -19.849 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.085 -9.166 -18.451 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.787 -8.631 -19.823 1.00 0.00 H new ATOM 0 HD3 ARG A 41 26.017 -10.339 -20.140 1.00 0.00 H new ATOM 0 HE ARG A 41 24.746 -8.370 -21.905 1.00 0.00 H new ATOM 0 HH11 ARG A 41 25.145 -11.784 -21.100 1.00 0.00 H new ATOM 0 HH12 ARG A 41 24.716 -12.336 -22.722 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.195 -9.087 -23.987 1.00 0.00 H new ATOM 0 HH22 ARG A 41 24.180 -10.816 -24.350 1.00 0.00 H new ATOM 627 N MET A 42 24.226 -9.842 -15.491 1.00 0.00 N ATOM 628 CA MET A 42 25.014 -8.964 -14.634 1.00 0.00 C ATOM 629 C MET A 42 24.507 -9.009 -13.196 1.00 0.00 C ATOM 630 O MET A 42 24.755 -8.093 -12.412 1.00 0.00 O ATOM 631 CB MET A 42 24.968 -7.528 -15.159 1.00 0.00 C ATOM 632 CG MET A 42 25.691 -7.341 -16.483 1.00 0.00 C ATOM 633 SD MET A 42 26.276 -5.653 -16.722 1.00 0.00 S ATOM 634 CE MET A 42 27.603 -5.917 -17.897 1.00 0.00 C ATOM 0 H MET A 42 23.231 -9.869 -15.267 1.00 0.00 H new ATOM 0 HA MET A 42 26.046 -9.315 -14.647 1.00 0.00 H new ATOM 0 HB2 MET A 42 23.927 -7.226 -15.277 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.410 -6.864 -14.416 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.538 -8.025 -16.530 1.00 0.00 H new ATOM 0 HG3 MET A 42 25.020 -7.608 -17.300 1.00 0.00 H new ATOM 0 HE1 MET A 42 28.065 -4.961 -18.144 1.00 0.00 H new ATOM 0 HE2 MET A 42 28.350 -6.579 -17.459 1.00 0.00 H new ATOM 0 HE3 MET A 42 27.202 -6.371 -18.803 1.00 0.00 H new ATOM 644 N MET A 43 23.796 -10.079 -12.857 1.00 0.00 N ATOM 645 CA MET A 43 23.255 -10.243 -11.513 1.00 0.00 C ATOM 646 C MET A 43 24.297 -10.847 -10.577 1.00 0.00 C ATOM 647 O MET A 43 24.171 -10.762 -9.356 1.00 0.00 O ATOM 648 CB MET A 43 22.008 -11.128 -11.546 1.00 0.00 C ATOM 649 CG MET A 43 21.124 -10.980 -10.318 1.00 0.00 C ATOM 650 SD MET A 43 19.396 -10.682 -10.737 1.00 0.00 S ATOM 651 CE MET A 43 18.753 -10.139 -9.157 1.00 0.00 C ATOM 0 H MET A 43 23.581 -10.846 -13.495 1.00 0.00 H new ATOM 0 HA MET A 43 22.982 -9.257 -11.136 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.425 -10.886 -12.435 1.00 0.00 H new ATOM 0 HB3 MET A 43 22.314 -12.170 -11.639 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.196 -11.883 -9.712 1.00 0.00 H new ATOM 0 HG3 MET A 43 21.493 -10.156 -9.707 1.00 0.00 H new ATOM 0 HE1 MET A 43 17.881 -10.737 -8.894 1.00 0.00 H new ATOM 0 HE2 MET A 43 19.520 -10.259 -8.392 1.00 0.00 H new ATOM 0 HE3 MET A 43 18.467 -9.089 -9.222 1.00 0.00 H new ATOM 661 N ALA A 44 25.326 -11.456 -11.158 1.00 0.00 N ATOM 662 CA ALA A 44 26.390 -12.072 -10.376 1.00 0.00 C ATOM 663 C ALA A 44 27.599 -11.148 -10.270 1.00 0.00 C ATOM 664 O ALA A 44 28.625 -11.518 -9.701 1.00 0.00 O ATOM 665 CB ALA A 44 26.793 -13.404 -10.990 1.00 0.00 C ATOM 0 H ALA A 44 25.445 -11.536 -12.168 1.00 0.00 H new ATOM 0 HA ALA A 44 26.012 -12.249 -9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.589 -13.853 -10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.932 -14.072 -11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.148 -13.243 -12.008 1.00 0.00 H new ATOM 671 N GLU A 45 27.470 -9.946 -10.823 1.00 0.00 N ATOM 672 CA GLU A 45 28.554 -8.971 -10.792 1.00 0.00 C ATOM 673 C GLU A 45 28.163 -7.750 -9.964 1.00 0.00 C ATOM 674 O GLU A 45 28.983 -6.864 -9.723 1.00 0.00 O ATOM 675 CB GLU A 45 28.923 -8.541 -12.213 1.00 0.00 C ATOM 676 CG GLU A 45 27.864 -7.684 -12.884 1.00 0.00 C ATOM 677 CD GLU A 45 28.320 -7.132 -14.221 1.00 0.00 C ATOM 678 OE1 GLU A 45 28.507 -7.932 -15.161 1.00 0.00 O ATOM 679 OE2 GLU A 45 28.491 -5.899 -14.326 1.00 0.00 O ATOM 0 H GLU A 45 26.626 -9.624 -11.297 1.00 0.00 H new ATOM 0 HA GLU A 45 29.420 -9.442 -10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.861 -7.987 -12.184 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.096 -9.430 -12.819 1.00 0.00 H new ATOM 0 HG2 GLU A 45 26.961 -8.277 -13.029 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.600 -6.857 -12.225 1.00 0.00 H new ATOM 686 N ILE A 46 26.907 -7.712 -9.533 1.00 0.00 N ATOM 687 CA ILE A 46 26.408 -6.601 -8.733 1.00 0.00 C ATOM 688 C ILE A 46 26.542 -6.894 -7.242 1.00 0.00 C ATOM 689 O ILE A 46 26.764 -5.988 -6.439 1.00 0.00 O ATOM 690 CB ILE A 46 24.934 -6.293 -9.054 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.126 -7.590 -9.138 1.00 0.00 C ATOM 692 CG2 ILE A 46 24.827 -5.511 -10.354 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.797 -7.522 -8.419 1.00 0.00 C ATOM 0 H ILE A 46 26.216 -8.438 -9.724 1.00 0.00 H new ATOM 0 HA ILE A 46 27.015 -5.732 -8.986 1.00 0.00 H new ATOM 0 HB ILE A 46 24.523 -5.682 -8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 46 23.951 -7.832 -10.186 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.716 -8.404 -8.717 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.779 -5.301 -10.567 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.373 -4.572 -10.260 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.252 -6.098 -11.168 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.279 -8.476 -8.521 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.965 -7.311 -7.363 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.188 -6.730 -8.855 1.00 0.00 H new ATOM 705 N ASP A 47 26.407 -8.165 -6.880 1.00 0.00 N ATOM 706 CA ASP A 47 26.516 -8.578 -5.486 1.00 0.00 C ATOM 707 C ASP A 47 26.641 -10.095 -5.377 1.00 0.00 C ATOM 708 O ASP A 47 27.593 -10.610 -4.791 1.00 0.00 O ATOM 709 CB ASP A 47 25.301 -8.096 -4.693 1.00 0.00 C ATOM 710 CG ASP A 47 25.521 -6.732 -4.069 1.00 0.00 C ATOM 711 OD1 ASP A 47 26.253 -6.652 -3.061 1.00 0.00 O ATOM 712 OD2 ASP A 47 24.960 -5.744 -4.588 1.00 0.00 O ATOM 0 H ASP A 47 26.222 -8.927 -7.532 1.00 0.00 H new ATOM 0 HA ASP A 47 27.416 -8.126 -5.068 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.434 -8.055 -5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 47 25.072 -8.818 -3.909 1.00 0.00 H new ATOM 717 N THR A 48 25.673 -10.806 -5.946 1.00 0.00 N ATOM 718 CA THR A 48 25.673 -12.263 -5.912 1.00 0.00 C ATOM 719 C THR A 48 27.033 -12.822 -6.313 1.00 0.00 C ATOM 720 O THR A 48 27.442 -12.714 -7.469 1.00 0.00 O ATOM 721 CB THR A 48 24.595 -12.847 -6.844 1.00 0.00 C ATOM 722 OG1 THR A 48 23.295 -12.429 -6.412 1.00 0.00 O ATOM 723 CG2 THR A 48 24.663 -14.367 -6.865 1.00 0.00 C ATOM 0 H THR A 48 24.878 -10.396 -6.436 1.00 0.00 H new ATOM 0 HA THR A 48 25.452 -12.555 -4.885 1.00 0.00 H new ATOM 0 HB THR A 48 24.779 -12.477 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 48 22.925 -11.791 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.892 -14.757 -7.530 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.643 -14.682 -7.222 1.00 0.00 H new ATOM 0 HG23 THR A 48 24.502 -14.752 -5.858 1.00 0.00 H new ATOM 731 N ASP A 49 27.728 -13.421 -5.352 1.00 0.00 N ATOM 732 CA ASP A 49 29.042 -14.000 -5.607 1.00 0.00 C ATOM 733 C ASP A 49 28.948 -15.138 -6.618 1.00 0.00 C ATOM 734 O ASP A 49 29.288 -14.971 -7.789 1.00 0.00 O ATOM 735 CB ASP A 49 29.660 -14.509 -4.303 1.00 0.00 C ATOM 736 CG ASP A 49 30.983 -15.214 -4.526 1.00 0.00 C ATOM 737 OD1 ASP A 49 32.004 -14.518 -4.708 1.00 0.00 O ATOM 738 OD2 ASP A 49 30.998 -16.463 -4.518 1.00 0.00 O ATOM 0 H ASP A 49 27.404 -13.518 -4.390 1.00 0.00 H new ATOM 0 HA ASP A 49 29.681 -13.221 -6.023 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.809 -13.670 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 49 28.964 -15.193 -3.817 1.00 0.00 H new ATOM 743 N GLY A 50 28.486 -16.296 -6.157 1.00 0.00 N ATOM 744 CA GLY A 50 28.357 -17.445 -7.034 1.00 0.00 C ATOM 745 C GLY A 50 27.433 -18.505 -6.469 1.00 0.00 C ATOM 746 O GLY A 50 27.730 -19.698 -6.537 1.00 0.00 O ATOM 0 H GLY A 50 28.199 -16.459 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 50 27.980 -17.118 -8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 50 29.342 -17.880 -7.205 1.00 0.00 H new ATOM 750 N ASP A 51 26.311 -18.071 -5.906 1.00 0.00 N ATOM 751 CA ASP A 51 25.340 -18.991 -5.326 1.00 0.00 C ATOM 752 C ASP A 51 24.048 -19.000 -6.136 1.00 0.00 C ATOM 753 O ASP A 51 23.463 -20.055 -6.380 1.00 0.00 O ATOM 754 CB ASP A 51 25.045 -18.606 -3.875 1.00 0.00 C ATOM 755 CG ASP A 51 26.307 -18.348 -3.076 1.00 0.00 C ATOM 756 OD1 ASP A 51 27.279 -19.116 -3.238 1.00 0.00 O ATOM 757 OD2 ASP A 51 26.324 -17.378 -2.289 1.00 0.00 O ATOM 0 H ASP A 51 26.051 -17.087 -5.839 1.00 0.00 H new ATOM 0 HA ASP A 51 25.768 -19.993 -5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.420 -17.713 -3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.474 -19.404 -3.399 1.00 0.00 H new ATOM 762 N GLY A 52 23.606 -17.816 -6.549 1.00 0.00 N ATOM 763 CA GLY A 52 22.385 -17.710 -7.326 1.00 0.00 C ATOM 764 C GLY A 52 21.200 -17.273 -6.488 1.00 0.00 C ATOM 765 O GLY A 52 20.049 -17.511 -6.854 1.00 0.00 O ATOM 0 H GLY A 52 24.072 -16.929 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.535 -16.997 -8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.165 -18.674 -7.785 1.00 0.00 H new ATOM 769 N PHE A 53 21.481 -16.631 -5.358 1.00 0.00 N ATOM 770 CA PHE A 53 20.430 -16.162 -4.463 1.00 0.00 C ATOM 771 C PHE A 53 20.853 -14.880 -3.752 1.00 0.00 C ATOM 772 O PHE A 53 22.005 -14.455 -3.849 1.00 0.00 O ATOM 773 CB PHE A 53 20.088 -17.241 -3.434 1.00 0.00 C ATOM 774 CG PHE A 53 19.474 -18.472 -4.037 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.274 -19.486 -4.539 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.098 -18.615 -4.101 1.00 0.00 C ATOM 777 CE1 PHE A 53 19.713 -20.620 -5.094 1.00 0.00 C ATOM 778 CE2 PHE A 53 17.531 -19.748 -4.655 1.00 0.00 C ATOM 779 CZ PHE A 53 18.339 -20.751 -5.153 1.00 0.00 C ATOM 0 H PHE A 53 22.428 -16.424 -5.041 1.00 0.00 H new ATOM 0 HA PHE A 53 19.545 -15.949 -5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 53 20.995 -17.522 -2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.400 -16.825 -2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.349 -19.389 -4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.461 -17.833 -3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 53 20.348 -21.403 -5.481 1.00 0.00 H new ATOM 0 HE2 PHE A 53 16.457 -19.848 -4.698 1.00 0.00 H new ATOM 0 HZ PHE A 53 17.898 -21.636 -5.588 1.00 0.00 H new ATOM 789 N ILE A 54 19.914 -14.269 -3.038 1.00 0.00 N ATOM 790 CA ILE A 54 20.189 -13.036 -2.310 1.00 0.00 C ATOM 791 C ILE A 54 19.252 -12.882 -1.117 1.00 0.00 C ATOM 792 O ILE A 54 18.040 -13.056 -1.240 1.00 0.00 O ATOM 793 CB ILE A 54 20.050 -11.802 -3.221 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.779 -11.905 -4.066 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.275 -11.661 -4.112 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.594 -10.748 -5.023 1.00 0.00 C ATOM 0 H ILE A 54 18.956 -14.607 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 54 21.217 -13.101 -1.955 1.00 0.00 H new ATOM 0 HB ILE A 54 19.976 -10.913 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.804 -12.835 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.915 -11.960 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.162 -10.784 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.164 -11.546 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.378 -12.551 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.673 -10.888 -5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.536 -9.816 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.439 -10.705 -5.710 1.00 0.00 H new ATOM 808 N ASP A 55 19.822 -12.551 0.036 1.00 0.00 N ATOM 809 CA ASP A 55 19.038 -12.370 1.252 1.00 0.00 C ATOM 810 C ASP A 55 18.140 -11.142 1.141 1.00 0.00 C ATOM 811 O ASP A 55 16.916 -11.260 1.072 1.00 0.00 O ATOM 812 CB ASP A 55 19.961 -12.234 2.464 1.00 0.00 C ATOM 813 CG ASP A 55 19.217 -11.805 3.714 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.163 -12.405 4.012 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.689 -10.871 4.394 1.00 0.00 O ATOM 0 H ASP A 55 20.824 -12.403 0.154 1.00 0.00 H new ATOM 0 HA ASP A 55 18.407 -13.249 1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.456 -13.187 2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.742 -11.507 2.242 1.00 0.00 H new ATOM 820 N PHE A 56 18.755 -9.964 1.126 1.00 0.00 N ATOM 821 CA PHE A 56 18.011 -8.714 1.025 1.00 0.00 C ATOM 822 C PHE A 56 18.930 -7.565 0.621 1.00 0.00 C ATOM 823 O PHE A 56 18.664 -6.855 -0.347 1.00 0.00 O ATOM 824 CB PHE A 56 17.329 -8.393 2.357 1.00 0.00 C ATOM 825 CG PHE A 56 16.559 -7.104 2.341 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.617 -6.857 1.356 1.00 0.00 C ATOM 827 CD2 PHE A 56 16.777 -6.139 3.312 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.907 -5.671 1.338 1.00 0.00 C ATOM 829 CE2 PHE A 56 16.070 -4.952 3.299 1.00 0.00 C ATOM 830 CZ PHE A 56 15.133 -4.718 2.312 1.00 0.00 C ATOM 0 H PHE A 56 19.767 -9.849 1.183 1.00 0.00 H new ATOM 0 HA PHE A 56 17.249 -8.835 0.255 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.653 -9.208 2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.085 -8.346 3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.435 -7.600 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 56 17.508 -6.317 4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.177 -5.490 0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.250 -4.208 4.060 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.578 -3.792 2.302 1.00 0.00 H new ATOM 840 N ASN A 57 20.012 -7.389 1.372 1.00 0.00 N ATOM 841 CA ASN A 57 20.971 -6.326 1.094 1.00 0.00 C ATOM 842 C ASN A 57 21.403 -6.353 -0.369 1.00 0.00 C ATOM 843 O ASN A 57 21.467 -5.315 -1.026 1.00 0.00 O ATOM 844 CB ASN A 57 22.194 -6.463 2.002 1.00 0.00 C ATOM 845 CG ASN A 57 22.792 -5.120 2.374 1.00 0.00 C ATOM 846 OD1 ASN A 57 23.937 -4.822 2.036 1.00 0.00 O ATOM 847 ND2 ASN A 57 22.016 -4.301 3.075 1.00 0.00 N ATOM 0 H ASN A 57 20.247 -7.969 2.178 1.00 0.00 H new ATOM 0 HA ASN A 57 20.485 -5.371 1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.911 -6.996 2.910 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.950 -7.068 1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.364 -3.384 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.072 -4.589 3.334 1.00 0.00 H new ATOM 854 N GLU A 58 21.699 -7.548 -0.871 1.00 0.00 N ATOM 855 CA GLU A 58 22.126 -7.709 -2.256 1.00 0.00 C ATOM 856 C GLU A 58 20.955 -7.507 -3.213 1.00 0.00 C ATOM 857 O GLU A 58 21.143 -7.142 -4.374 1.00 0.00 O ATOM 858 CB GLU A 58 22.737 -9.096 -2.466 1.00 0.00 C ATOM 859 CG GLU A 58 23.789 -9.461 -1.432 1.00 0.00 C ATOM 860 CD GLU A 58 24.941 -8.475 -1.398 1.00 0.00 C ATOM 861 OE1 GLU A 58 24.707 -7.303 -1.034 1.00 0.00 O ATOM 862 OE2 GLU A 58 26.074 -8.875 -1.735 1.00 0.00 O ATOM 0 H GLU A 58 21.651 -8.418 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 58 22.881 -6.951 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.942 -9.841 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 58 23.185 -9.140 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 58 23.325 -9.505 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 58 24.175 -10.457 -1.648 1.00 0.00 H new ATOM 869 N PHE A 59 19.745 -7.748 -2.718 1.00 0.00 N ATOM 870 CA PHE A 59 18.543 -7.595 -3.529 1.00 0.00 C ATOM 871 C PHE A 59 18.189 -6.121 -3.703 1.00 0.00 C ATOM 872 O PHE A 59 17.714 -5.707 -4.761 1.00 0.00 O ATOM 873 CB PHE A 59 17.371 -8.340 -2.887 1.00 0.00 C ATOM 874 CG PHE A 59 16.027 -7.825 -3.315 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.450 -8.255 -4.499 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.339 -6.911 -2.533 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.213 -7.782 -4.895 1.00 0.00 C ATOM 878 CE2 PHE A 59 14.102 -6.435 -2.924 1.00 0.00 C ATOM 879 CZ PHE A 59 13.538 -6.872 -4.106 1.00 0.00 C ATOM 0 H PHE A 59 19.571 -8.050 -1.759 1.00 0.00 H new ATOM 0 HA PHE A 59 18.741 -8.022 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.442 -9.398 -3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.452 -8.263 -1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.973 -8.968 -5.120 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.775 -6.567 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.775 -8.124 -5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.577 -5.722 -2.306 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.571 -6.503 -4.413 1.00 0.00 H new ATOM 889 N ILE A 60 18.423 -5.335 -2.658 1.00 0.00 N ATOM 890 CA ILE A 60 18.130 -3.908 -2.695 1.00 0.00 C ATOM 891 C ILE A 60 19.191 -3.149 -3.485 1.00 0.00 C ATOM 892 O ILE A 60 18.914 -2.102 -4.070 1.00 0.00 O ATOM 893 CB ILE A 60 18.039 -3.314 -1.277 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.851 -3.916 -0.524 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.919 -1.799 -1.343 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.509 -3.443 -1.036 1.00 0.00 C ATOM 0 H ILE A 60 18.815 -5.662 -1.775 1.00 0.00 H new ATOM 0 HA ILE A 60 17.164 -3.797 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 60 18.952 -3.563 -0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.897 -5.002 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.936 -3.665 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.856 -1.395 -0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.794 -1.386 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.021 -1.529 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.713 -3.910 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.443 -2.360 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.403 -3.718 -2.085 1.00 0.00 H new ATOM 908 N SER A 61 20.407 -3.685 -3.498 1.00 0.00 N ATOM 909 CA SER A 61 21.511 -3.058 -4.215 1.00 0.00 C ATOM 910 C SER A 61 21.121 -2.757 -5.659 1.00 0.00 C ATOM 911 O SER A 61 21.250 -1.625 -6.126 1.00 0.00 O ATOM 912 CB SER A 61 22.745 -3.962 -4.186 1.00 0.00 C ATOM 913 OG SER A 61 23.935 -3.198 -4.088 1.00 0.00 O ATOM 0 H SER A 61 20.653 -4.552 -3.020 1.00 0.00 H new ATOM 0 HA SER A 61 21.747 -2.117 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 61 22.678 -4.647 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 61 22.774 -4.572 -5.089 1.00 0.00 H new ATOM 0 HG SER A 61 24.711 -3.782 -4.220 1.00 0.00 H new ATOM 919 N PHE A 62 20.643 -3.779 -6.361 1.00 0.00 N ATOM 920 CA PHE A 62 20.235 -3.626 -7.752 1.00 0.00 C ATOM 921 C PHE A 62 18.797 -3.123 -7.845 1.00 0.00 C ATOM 922 O PHE A 62 18.403 -2.516 -8.842 1.00 0.00 O ATOM 923 CB PHE A 62 20.370 -4.957 -8.495 1.00 0.00 C ATOM 924 CG PHE A 62 19.099 -5.406 -9.157 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.097 -6.019 -8.421 1.00 0.00 C ATOM 926 CD2 PHE A 62 18.905 -5.215 -10.516 1.00 0.00 C ATOM 927 CE1 PHE A 62 16.926 -6.433 -9.028 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.736 -5.626 -11.127 1.00 0.00 C ATOM 929 CZ PHE A 62 16.746 -6.237 -10.383 1.00 0.00 C ATOM 0 H PHE A 62 20.529 -4.722 -5.989 1.00 0.00 H new ATOM 0 HA PHE A 62 20.890 -2.890 -8.217 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.151 -4.865 -9.250 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.695 -5.725 -7.793 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.233 -6.175 -7.361 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.676 -4.740 -11.104 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.153 -6.909 -8.443 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.596 -5.469 -12.186 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.833 -6.561 -10.860 1.00 0.00 H new ATOM 939 N CYS A 63 18.019 -3.379 -6.799 1.00 0.00 N ATOM 940 CA CYS A 63 16.624 -2.954 -6.762 1.00 0.00 C ATOM 941 C CYS A 63 16.502 -1.537 -6.211 1.00 0.00 C ATOM 942 O CYS A 63 15.670 -1.267 -5.345 1.00 0.00 O ATOM 943 CB CYS A 63 15.797 -3.919 -5.910 1.00 0.00 C ATOM 944 SG CYS A 63 14.011 -3.759 -6.136 1.00 0.00 S ATOM 0 H CYS A 63 18.330 -3.878 -5.966 1.00 0.00 H new ATOM 0 HA CYS A 63 16.240 -2.962 -7.782 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.092 -4.941 -6.148 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.036 -3.755 -4.859 1.00 0.00 H new ATOM 0 HG CYS A 63 13.406 -4.726 -5.513 1.00 0.00 H new ATOM 950 N ASN A 64 17.338 -0.637 -6.717 1.00 0.00 N ATOM 951 CA ASN A 64 17.325 0.752 -6.274 1.00 0.00 C ATOM 952 C ASN A 64 15.974 1.402 -6.557 1.00 0.00 C ATOM 953 O ASN A 64 15.455 2.160 -5.739 1.00 0.00 O ATOM 954 CB ASN A 64 18.438 1.541 -6.967 1.00 0.00 C ATOM 955 CG ASN A 64 19.820 1.088 -6.540 1.00 0.00 C ATOM 956 OD1 ASN A 64 20.627 0.656 -7.364 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.101 1.184 -5.245 1.00 0.00 N ATOM 0 H ASN A 64 18.033 -0.845 -7.434 1.00 0.00 H new ATOM 0 HA ASN A 64 17.495 0.765 -5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.340 1.430 -8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 64 18.321 2.601 -6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.015 0.894 -4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 64 19.402 1.548 -4.597 1.00 0.00 H new ATOM 964 N ALA A 65 15.410 1.097 -7.721 1.00 0.00 N ATOM 965 CA ALA A 65 14.118 1.649 -8.112 1.00 0.00 C ATOM 966 C ALA A 65 14.146 3.173 -8.100 1.00 0.00 C ATOM 967 O ALA A 65 13.175 3.818 -7.707 1.00 0.00 O ATOM 968 CB ALA A 65 13.023 1.132 -7.190 1.00 0.00 C ATOM 0 H ALA A 65 15.827 0.471 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 65 13.905 1.324 -9.130 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.064 1.552 -7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.979 0.045 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.241 1.429 -6.164 1.00 0.00 H new ATOM 974 N ASN A 66 15.266 3.744 -8.533 1.00 0.00 N ATOM 975 CA ASN A 66 15.420 5.193 -8.571 1.00 0.00 C ATOM 976 C ASN A 66 14.688 5.787 -9.771 1.00 0.00 C ATOM 977 O ASN A 66 13.728 6.544 -9.631 1.00 0.00 O ATOM 978 CB ASN A 66 16.902 5.568 -8.627 1.00 0.00 C ATOM 979 CG ASN A 66 17.404 6.138 -7.314 1.00 0.00 C ATOM 980 OD1 ASN A 66 17.998 7.216 -7.279 1.00 0.00 O ATOM 981 ND2 ASN A 66 17.167 5.414 -6.226 1.00 0.00 N ATOM 0 H ASN A 66 16.080 3.225 -8.862 1.00 0.00 H new ATOM 0 HA ASN A 66 14.982 5.604 -7.661 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.488 4.686 -8.885 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.060 6.298 -9.421 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.481 5.746 -5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.671 4.526 -6.302 1.00 0.00 H new ATOM 988 N PRO A 67 15.152 5.436 -10.980 1.00 0.00 N ATOM 989 CA PRO A 67 14.556 5.922 -12.228 1.00 0.00 C ATOM 990 C PRO A 67 13.173 5.330 -12.478 1.00 0.00 C ATOM 991 O PRO A 67 12.468 5.744 -13.397 1.00 0.00 O ATOM 992 CB PRO A 67 15.542 5.448 -13.299 1.00 0.00 C ATOM 993 CG PRO A 67 16.216 4.264 -12.697 1.00 0.00 C ATOM 994 CD PRO A 67 16.293 4.537 -11.221 1.00 0.00 C ATOM 0 HA PRO A 67 14.405 7.001 -12.215 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.026 5.183 -14.222 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.261 6.228 -13.548 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.654 3.352 -12.896 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.211 4.124 -13.120 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.212 3.620 -10.638 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.238 5.006 -10.948 1.00 0.00 H new ATOM 1002 N GLY A 68 12.791 4.359 -11.654 1.00 0.00 N ATOM 1003 CA GLY A 68 11.493 3.728 -11.803 1.00 0.00 C ATOM 1004 C GLY A 68 11.574 2.403 -12.536 1.00 0.00 C ATOM 1005 O GLY A 68 10.843 2.172 -13.499 1.00 0.00 O ATOM 0 H GLY A 68 13.357 3.998 -10.886 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.054 3.569 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.826 4.399 -12.344 1.00 0.00 H new ATOM 1009 N LEU A 69 12.466 1.530 -12.080 1.00 0.00 N ATOM 1010 CA LEU A 69 12.642 0.221 -12.700 1.00 0.00 C ATOM 1011 C LEU A 69 11.994 -0.872 -11.856 1.00 0.00 C ATOM 1012 O LEU A 69 11.529 -1.882 -12.382 1.00 0.00 O ATOM 1013 CB LEU A 69 14.129 -0.079 -12.890 1.00 0.00 C ATOM 1014 CG LEU A 69 14.985 -0.064 -11.623 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.893 -1.283 -11.576 1.00 0.00 C ATOM 1016 CD2 LEU A 69 15.804 1.217 -11.548 1.00 0.00 C ATOM 0 H LEU A 69 13.078 1.705 -11.283 1.00 0.00 H new ATOM 0 HA LEU A 69 12.154 0.239 -13.675 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.224 -1.059 -13.357 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.539 0.649 -13.590 1.00 0.00 H new ATOM 0 HG LEU A 69 14.321 -0.099 -10.759 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.494 -1.254 -10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.287 -2.189 -11.581 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.550 -1.281 -12.446 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.407 1.211 -10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.458 1.282 -12.418 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.134 2.077 -11.533 1.00 0.00 H new ATOM 1028 N MET A 70 11.966 -0.661 -10.544 1.00 0.00 N ATOM 1029 CA MET A 70 11.372 -1.627 -9.628 1.00 0.00 C ATOM 1030 C MET A 70 10.169 -1.026 -8.908 1.00 0.00 C ATOM 1031 O MET A 70 9.307 -1.748 -8.406 1.00 0.00 O ATOM 1032 CB MET A 70 12.409 -2.098 -8.606 1.00 0.00 C ATOM 1033 CG MET A 70 13.747 -2.469 -9.225 1.00 0.00 C ATOM 1034 SD MET A 70 13.838 -4.208 -9.691 1.00 0.00 S ATOM 1035 CE MET A 70 13.602 -4.096 -11.463 1.00 0.00 C ATOM 0 H MET A 70 12.348 0.170 -10.092 1.00 0.00 H new ATOM 0 HA MET A 70 11.033 -2.483 -10.212 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.565 -1.310 -7.869 1.00 0.00 H new ATOM 0 HB3 MET A 70 12.014 -2.961 -8.071 1.00 0.00 H new ATOM 0 HG2 MET A 70 13.919 -1.851 -10.106 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.545 -2.244 -8.517 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.173 -4.882 -11.957 1.00 0.00 H new ATOM 0 HE2 MET A 70 12.544 -4.214 -11.697 1.00 0.00 H new ATOM 0 HE3 MET A 70 13.945 -3.123 -11.815 1.00 0.00 H new ATOM 1045 N LYS A 71 10.115 0.301 -8.862 1.00 0.00 N ATOM 1046 CA LYS A 71 9.017 1.001 -8.205 1.00 0.00 C ATOM 1047 C LYS A 71 7.767 0.995 -9.080 1.00 0.00 C ATOM 1048 O LYS A 71 6.645 1.030 -8.575 1.00 0.00 O ATOM 1049 CB LYS A 71 9.422 2.442 -7.885 1.00 0.00 C ATOM 1050 CG LYS A 71 8.256 3.324 -7.475 1.00 0.00 C ATOM 1051 CD LYS A 71 8.709 4.466 -6.581 1.00 0.00 C ATOM 1052 CE LYS A 71 7.542 5.073 -5.817 1.00 0.00 C ATOM 1053 NZ LYS A 71 6.591 5.775 -6.723 1.00 0.00 N ATOM 0 H LYS A 71 10.820 0.914 -9.272 1.00 0.00 H new ATOM 0 HA LYS A 71 8.791 0.479 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.160 2.434 -7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.906 2.877 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.773 3.727 -8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.511 2.724 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.457 4.103 -5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.188 5.235 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.015 4.288 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.920 5.775 -5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.810 6.175 -6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.088 6.541 -7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.210 5.100 -7.417 1.00 0.00 H new ATOM 1067 N ASP A 72 7.970 0.950 -10.392 1.00 0.00 N ATOM 1068 CA ASP A 72 6.859 0.937 -11.337 1.00 0.00 C ATOM 1069 C ASP A 72 6.630 -0.468 -11.887 1.00 0.00 C ATOM 1070 O ASP A 72 6.226 -0.637 -13.037 1.00 0.00 O ATOM 1071 CB ASP A 72 7.127 1.910 -12.485 1.00 0.00 C ATOM 1072 CG ASP A 72 8.122 1.362 -13.489 1.00 0.00 C ATOM 1073 OD1 ASP A 72 8.926 0.486 -13.108 1.00 0.00 O ATOM 1074 OD2 ASP A 72 8.097 1.809 -14.655 1.00 0.00 O ATOM 0 H ASP A 72 8.893 0.922 -10.825 1.00 0.00 H new ATOM 0 HA ASP A 72 5.960 1.251 -10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 72 6.189 2.135 -12.993 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.504 2.850 -12.081 1.00 0.00 H new ATOM 1079 N VAL A 73 6.891 -1.473 -11.057 1.00 0.00 N ATOM 1080 CA VAL A 73 6.713 -2.863 -11.460 1.00 0.00 C ATOM 1081 C VAL A 73 5.970 -3.654 -10.390 1.00 0.00 C ATOM 1082 O VAL A 73 5.207 -4.569 -10.698 1.00 0.00 O ATOM 1083 CB VAL A 73 8.067 -3.543 -11.739 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.524 -4.341 -10.528 1.00 0.00 C ATOM 1085 CG2 VAL A 73 7.971 -4.434 -12.969 1.00 0.00 C ATOM 0 H VAL A 73 7.226 -1.351 -10.102 1.00 0.00 H new ATOM 0 HA VAL A 73 6.123 -2.855 -12.376 1.00 0.00 H new ATOM 0 HB VAL A 73 8.809 -2.769 -11.935 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.482 -4.814 -10.744 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.633 -3.674 -9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.785 -5.108 -10.298 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.936 -4.907 -13.152 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.216 -5.203 -12.804 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.692 -3.832 -13.834 1.00 0.00 H new ATOM 1095 N ALA A 74 6.198 -3.295 -9.131 1.00 0.00 N ATOM 1096 CA ALA A 74 5.548 -3.970 -8.014 1.00 0.00 C ATOM 1097 C ALA A 74 4.030 -3.879 -8.126 1.00 0.00 C ATOM 1098 O ALA A 74 3.310 -4.776 -7.689 1.00 0.00 O ATOM 1099 CB ALA A 74 6.019 -3.379 -6.694 1.00 0.00 C ATOM 0 H ALA A 74 6.828 -2.540 -8.859 1.00 0.00 H new ATOM 0 HA ALA A 74 5.826 -5.024 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.526 -3.892 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.098 -3.502 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.771 -2.318 -6.661 1.00 0.00 H new ATOM 1105 N LYS A 75 3.550 -2.788 -8.713 1.00 0.00 N ATOM 1106 CA LYS A 75 2.117 -2.578 -8.883 1.00 0.00 C ATOM 1107 C LYS A 75 1.634 -3.164 -10.206 1.00 0.00 C ATOM 1108 O LYS A 75 0.435 -3.340 -10.418 1.00 0.00 O ATOM 1109 CB LYS A 75 1.788 -1.085 -8.824 1.00 0.00 C ATOM 1110 CG LYS A 75 2.349 -0.292 -9.992 1.00 0.00 C ATOM 1111 CD LYS A 75 3.586 0.493 -9.590 1.00 0.00 C ATOM 1112 CE LYS A 75 3.227 1.701 -8.738 1.00 0.00 C ATOM 1113 NZ LYS A 75 3.082 2.935 -9.558 1.00 0.00 N ATOM 0 H LYS A 75 4.133 -2.035 -9.079 1.00 0.00 H new ATOM 0 HA LYS A 75 1.602 -3.089 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.705 -0.961 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.179 -0.672 -7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.597 -0.971 -10.808 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.588 0.393 -10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.265 -0.155 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.116 0.821 -10.484 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.295 1.507 -8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.998 1.855 -7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.837 3.735 -8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.979 3.135 -10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.329 2.798 -10.262 1.00 0.00 H new ATOM 1127 N VAL A 76 2.577 -3.465 -11.094 1.00 0.00 N ATOM 1128 CA VAL A 76 2.249 -4.033 -12.396 1.00 0.00 C ATOM 1129 C VAL A 76 2.222 -5.557 -12.339 1.00 0.00 C ATOM 1130 O VAL A 76 2.623 -6.159 -11.343 1.00 0.00 O ATOM 1131 CB VAL A 76 3.255 -3.588 -13.473 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.604 -3.594 -14.847 1.00 0.00 C ATOM 1133 CG2 VAL A 76 3.813 -2.212 -13.144 1.00 0.00 C ATOM 0 H VAL A 76 3.575 -3.325 -10.935 1.00 0.00 H new ATOM 0 HA VAL A 76 1.258 -3.664 -12.662 1.00 0.00 H new ATOM 0 HB VAL A 76 4.083 -4.297 -13.487 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.330 -3.277 -15.595 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.258 -4.601 -15.081 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.756 -2.909 -14.851 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.522 -1.913 -13.916 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.998 -1.490 -13.101 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.319 -2.246 -12.179 1.00 0.00 H new ATOM 1143 N PHE A 77 1.746 -6.175 -13.415 1.00 0.00 N ATOM 1144 CA PHE A 77 1.666 -7.629 -13.489 1.00 0.00 C ATOM 1145 C PHE A 77 1.958 -8.119 -14.904 1.00 0.00 C ATOM 1146 O PHE A 77 1.803 -7.376 -15.872 1.00 0.00 O ATOM 1147 CB PHE A 77 0.282 -8.108 -13.047 1.00 0.00 C ATOM 1148 CG PHE A 77 0.073 -8.049 -11.561 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -0.276 -6.859 -10.943 1.00 0.00 C ATOM 1150 CD2 PHE A 77 0.227 -9.184 -10.781 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -0.469 -6.801 -9.576 1.00 0.00 C ATOM 1152 CE2 PHE A 77 0.035 -9.133 -9.413 1.00 0.00 C ATOM 1153 CZ PHE A 77 -0.312 -7.940 -8.809 1.00 0.00 C ATOM 0 H PHE A 77 1.410 -5.691 -14.248 1.00 0.00 H new ATOM 0 HA PHE A 77 2.418 -8.044 -12.818 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.478 -7.499 -13.537 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.136 -9.134 -13.386 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.399 -5.966 -11.537 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.500 -10.119 -11.247 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.742 -5.867 -9.108 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.156 -10.025 -8.817 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.460 -7.897 -7.740 1.00 0.00 H new