USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 534 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 63 CYS SG : rot 159:sc= 0.413 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl -149:sc= -0.502 (180deg=-2.83!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= 0.0568 (180deg=0.0196) USER MOD Single : A 20 SER OG : rot 180:sc= 0.108 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 47:sc= -1.23 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -140:sc= -0.25 USER MOD Single : A 34 THR OG1 : rot -46:sc= 1.02 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 42 MET CE :methyl 151:sc= 0 (180deg=-0.389) USER MOD Single : A 43 MET CE :methyl 169:sc= -1.1 (180deg=-1.23) USER MOD Single : A 48 THR OG1 : rot -25:sc= 0.0757 USER MOD Single : A 57 ASN : amide:sc= -0.56 X(o=-0.56,f=-0.17) USER MOD Single : A 61 SER OG : rot -160:sc= -0.594 USER MOD Single : A 64 ASN : amide:sc= -0.0726 X(o=-0.073,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 70 MET CE :methyl 175:sc= -0.018 (180deg=-0.0594) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 3.075 -4.628 -5.054 1.00 0.00 N ATOM 24 CA ASP A 3 3.845 -4.237 -6.229 1.00 0.00 C ATOM 25 C ASP A 3 2.946 -4.128 -7.457 1.00 0.00 C ATOM 26 O ASP A 3 3.197 -3.323 -8.353 1.00 0.00 O ATOM 27 CB ASP A 3 4.965 -5.246 -6.490 1.00 0.00 C ATOM 28 CG ASP A 3 6.125 -5.084 -5.528 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.480 -3.928 -5.215 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.678 -6.113 -5.087 1.00 0.00 O ATOM 0 HA ASP A 3 4.285 -3.259 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.566 -6.257 -6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.325 -5.129 -7.512 1.00 0.00 H new ATOM 35 N MET A 4 1.898 -4.946 -7.491 1.00 0.00 N ATOM 36 CA MET A 4 0.962 -4.941 -8.609 1.00 0.00 C ATOM 37 C MET A 4 0.442 -3.532 -8.877 1.00 0.00 C ATOM 38 O MET A 4 0.099 -3.193 -10.009 1.00 0.00 O ATOM 39 CB MET A 4 -0.210 -5.883 -8.325 1.00 0.00 C ATOM 40 CG MET A 4 0.213 -7.215 -7.726 1.00 0.00 C ATOM 41 SD MET A 4 1.586 -7.972 -8.617 1.00 0.00 S ATOM 42 CE MET A 4 0.957 -7.946 -10.294 1.00 0.00 C ATOM 0 H MET A 4 1.676 -5.620 -6.758 1.00 0.00 H new ATOM 0 HA MET A 4 1.493 -5.289 -9.495 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.904 -5.391 -7.643 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.751 -6.067 -9.253 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.499 -7.066 -6.685 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.637 -7.897 -7.729 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.356 -8.797 -10.845 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.131 -8.003 -10.275 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.263 -7.021 -10.783 1.00 0.00 H new ATOM 52 N GLU A 5 0.388 -2.716 -7.829 1.00 0.00 N ATOM 53 CA GLU A 5 -0.091 -1.345 -7.953 1.00 0.00 C ATOM 54 C GLU A 5 0.875 -0.504 -8.783 1.00 0.00 C ATOM 55 O GLU A 5 0.460 0.386 -9.525 1.00 0.00 O ATOM 56 CB GLU A 5 -0.271 -0.716 -6.569 1.00 0.00 C ATOM 57 CG GLU A 5 -1.446 0.243 -6.484 1.00 0.00 C ATOM 58 CD GLU A 5 -2.112 0.229 -5.122 1.00 0.00 C ATOM 59 OE1 GLU A 5 -1.422 0.516 -4.122 1.00 0.00 O ATOM 60 OE2 GLU A 5 -3.324 -0.068 -5.057 1.00 0.00 O ATOM 0 H GLU A 5 0.670 -2.981 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.055 -1.369 -8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.406 -1.509 -5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.641 -0.184 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.103 1.253 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.180 -0.019 -7.246 1.00 0.00 H new ATOM 67 N ARG A 6 2.165 -0.794 -8.652 1.00 0.00 N ATOM 68 CA ARG A 6 3.191 -0.065 -9.389 1.00 0.00 C ATOM 69 C ARG A 6 3.072 -0.324 -10.888 1.00 0.00 C ATOM 70 O ARG A 6 2.972 0.610 -11.683 1.00 0.00 O ATOM 71 CB ARG A 6 4.583 -0.467 -8.900 1.00 0.00 C ATOM 72 CG ARG A 6 4.885 -0.015 -7.480 1.00 0.00 C ATOM 73 CD ARG A 6 4.928 1.502 -7.376 1.00 0.00 C ATOM 74 NE ARG A 6 5.453 1.947 -6.088 1.00 0.00 N ATOM 75 CZ ARG A 6 6.748 1.997 -5.800 1.00 0.00 C ATOM 76 NH1 ARG A 6 7.647 1.631 -6.703 1.00 0.00 N ATOM 77 NH2 ARG A 6 7.148 2.414 -4.605 1.00 0.00 N ATOM 0 H ARG A 6 2.525 -1.528 -8.043 1.00 0.00 H new ATOM 0 HA ARG A 6 3.044 1.000 -9.209 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.679 -1.551 -8.955 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.330 -0.046 -9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.125 -0.406 -6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.841 -0.430 -7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.547 1.903 -8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.925 1.904 -7.517 1.00 0.00 H new ATOM 0 HE ARG A 6 4.788 2.235 -5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.345 1.310 -7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.641 1.671 -6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.460 2.696 -3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.143 2.452 -4.385 1.00 0.00 H new ATOM 91 N ILE A 7 3.084 -1.598 -11.265 1.00 0.00 N ATOM 92 CA ILE A 7 2.977 -1.980 -12.668 1.00 0.00 C ATOM 93 C ILE A 7 1.672 -1.478 -13.276 1.00 0.00 C ATOM 94 O ILE A 7 1.655 -0.952 -14.389 1.00 0.00 O ATOM 95 CB ILE A 7 3.058 -3.508 -12.843 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.270 -4.066 -12.094 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.129 -3.868 -14.320 1.00 0.00 C ATOM 98 CD1 ILE A 7 3.919 -4.703 -10.768 1.00 0.00 C ATOM 0 H ILE A 7 3.167 -2.383 -10.619 1.00 0.00 H new ATOM 0 HA ILE A 7 3.818 -1.518 -13.186 1.00 0.00 H new ATOM 0 HB ILE A 7 2.158 -3.956 -12.422 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.767 -4.805 -12.723 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.984 -3.260 -11.923 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.186 -4.951 -14.428 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.238 -3.499 -14.828 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.014 -3.412 -14.763 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.826 -5.077 -10.292 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.449 -3.962 -10.121 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.229 -5.530 -10.933 1.00 0.00 H new ATOM 110 N PHE A 8 0.580 -1.642 -12.537 1.00 0.00 N ATOM 111 CA PHE A 8 -0.731 -1.205 -13.003 1.00 0.00 C ATOM 112 C PHE A 8 -0.697 0.260 -13.428 1.00 0.00 C ATOM 113 O PHE A 8 -1.331 0.649 -14.409 1.00 0.00 O ATOM 114 CB PHE A 8 -1.779 -1.405 -11.906 1.00 0.00 C ATOM 115 CG PHE A 8 -3.119 -0.816 -12.242 1.00 0.00 C ATOM 116 CD1 PHE A 8 -4.069 -1.563 -12.920 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.428 0.486 -11.881 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.303 -1.024 -13.230 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.661 1.030 -12.188 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.599 0.275 -12.865 1.00 0.00 C ATOM 0 H PHE A 8 0.577 -2.074 -11.613 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.001 -1.810 -13.869 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.897 -2.472 -11.718 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.416 -0.957 -10.981 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.842 -2.578 -13.210 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.697 1.082 -11.354 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.035 -1.618 -13.757 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.891 2.045 -11.899 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.562 0.699 -13.108 1.00 0.00 H new ATOM 130 N LYS A 9 0.049 1.068 -12.683 1.00 0.00 N ATOM 131 CA LYS A 9 0.169 2.491 -12.981 1.00 0.00 C ATOM 132 C LYS A 9 1.206 2.733 -14.073 1.00 0.00 C ATOM 133 O LYS A 9 1.210 3.782 -14.716 1.00 0.00 O ATOM 134 CB LYS A 9 0.551 3.267 -11.718 1.00 0.00 C ATOM 135 CG LYS A 9 -0.513 3.229 -10.635 1.00 0.00 C ATOM 136 CD LYS A 9 -0.074 3.990 -9.395 1.00 0.00 C ATOM 137 CE LYS A 9 -0.996 3.715 -8.217 1.00 0.00 C ATOM 138 NZ LYS A 9 -1.200 4.928 -7.378 1.00 0.00 N ATOM 0 H LYS A 9 0.580 0.762 -11.868 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.798 2.845 -13.339 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.479 2.859 -11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.748 4.305 -11.985 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.439 3.659 -11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.728 2.194 -10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.946 3.706 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.063 5.059 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.959 3.361 -8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.576 2.917 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.834 4.700 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.284 5.251 -7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.625 5.682 -7.955 1.00 0.00 H new ATOM 152 N ARG A 10 2.083 1.755 -14.277 1.00 0.00 N ATOM 153 CA ARG A 10 3.124 1.862 -15.291 1.00 0.00 C ATOM 154 C ARG A 10 2.523 2.180 -16.657 1.00 0.00 C ATOM 155 O ARG A 10 3.028 3.032 -17.387 1.00 0.00 O ATOM 156 CB ARG A 10 3.929 0.563 -15.366 1.00 0.00 C ATOM 157 CG ARG A 10 5.256 0.709 -16.091 1.00 0.00 C ATOM 158 CD ARG A 10 5.732 -0.620 -16.657 1.00 0.00 C ATOM 159 NE ARG A 10 6.985 -0.484 -17.394 1.00 0.00 N ATOM 160 CZ ARG A 10 8.167 -0.318 -16.810 1.00 0.00 C ATOM 161 NH1 ARG A 10 8.256 -0.267 -15.488 1.00 0.00 N ATOM 162 NH2 ARG A 10 9.263 -0.202 -17.549 1.00 0.00 N ATOM 0 H ARG A 10 2.093 0.880 -13.753 1.00 0.00 H new ATOM 0 HA ARG A 10 3.789 2.678 -15.007 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.115 0.202 -14.354 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.331 -0.196 -15.870 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.152 1.433 -16.899 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.005 1.102 -15.404 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.866 -1.333 -15.844 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.966 -1.028 -17.316 1.00 0.00 H new ATOM 0 HE ARG A 10 6.951 -0.518 -18.413 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.416 -0.355 -14.917 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.165 -0.140 -15.043 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.199 -0.240 -18.566 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.170 -0.075 -17.100 1.00 0.00 H new ATOM 176 N PHE A 11 1.440 1.487 -16.996 1.00 0.00 N ATOM 177 CA PHE A 11 0.770 1.694 -18.275 1.00 0.00 C ATOM 178 C PHE A 11 -0.239 2.835 -18.182 1.00 0.00 C ATOM 179 O PHE A 11 -0.433 3.586 -19.138 1.00 0.00 O ATOM 180 CB PHE A 11 0.066 0.411 -18.719 1.00 0.00 C ATOM 181 CG PHE A 11 0.967 -0.791 -18.742 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.323 -0.651 -18.991 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.459 -2.059 -18.515 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.155 -1.755 -19.014 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.286 -3.167 -18.536 1.00 0.00 C ATOM 186 CZ PHE A 11 2.635 -3.014 -18.785 1.00 0.00 C ATOM 0 H PHE A 11 1.008 0.778 -16.403 1.00 0.00 H new ATOM 0 HA PHE A 11 1.526 1.960 -19.014 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.771 0.215 -18.049 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.351 0.561 -19.715 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.735 0.332 -19.169 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.596 -2.184 -18.319 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.210 -1.633 -19.211 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.877 -4.151 -18.358 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.283 -3.878 -18.801 1.00 0.00 H new ATOM 196 N ASP A 12 -0.879 2.958 -17.024 1.00 0.00 N ATOM 197 CA ASP A 12 -1.868 4.007 -16.804 1.00 0.00 C ATOM 198 C ASP A 12 -1.237 5.388 -16.953 1.00 0.00 C ATOM 199 O ASP A 12 -0.179 5.664 -16.386 1.00 0.00 O ATOM 200 CB ASP A 12 -2.494 3.865 -15.416 1.00 0.00 C ATOM 201 CG ASP A 12 -3.981 4.158 -15.419 1.00 0.00 C ATOM 202 OD1 ASP A 12 -4.451 4.833 -16.359 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.675 3.711 -14.482 1.00 0.00 O ATOM 0 H ASP A 12 -0.730 2.344 -16.223 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.648 3.901 -17.558 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.327 2.853 -15.047 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.994 4.543 -14.724 1.00 0.00 H new ATOM 262 N LYS A 18 -8.143 2.356 -15.628 1.00 0.00 N ATOM 263 CA LYS A 18 -7.919 1.090 -16.316 1.00 0.00 C ATOM 264 C LYS A 18 -6.677 1.162 -17.198 1.00 0.00 C ATOM 265 O LYS A 18 -6.109 2.236 -17.399 1.00 0.00 O ATOM 266 CB LYS A 18 -9.139 0.723 -17.164 1.00 0.00 C ATOM 267 CG LYS A 18 -10.343 0.294 -16.343 1.00 0.00 C ATOM 268 CD LYS A 18 -11.389 -0.393 -17.205 1.00 0.00 C ATOM 269 CE LYS A 18 -11.895 0.527 -18.306 1.00 0.00 C ATOM 270 NZ LYS A 18 -12.922 -0.138 -19.155 1.00 0.00 N ATOM 0 HA LYS A 18 -7.763 0.319 -15.562 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.415 1.580 -17.778 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.868 -0.084 -17.845 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.022 -0.382 -15.551 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.784 1.166 -15.859 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.963 -1.293 -17.648 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.225 -0.710 -16.581 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.319 1.427 -17.861 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.058 0.843 -18.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.445 0.581 -19.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.456 -0.795 -19.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.584 -0.665 -18.550 1.00 0.00 H new ATOM 284 N ILE A 19 -6.262 0.014 -17.723 1.00 0.00 N ATOM 285 CA ILE A 19 -5.089 -0.051 -18.586 1.00 0.00 C ATOM 286 C ILE A 19 -5.313 -1.015 -19.746 1.00 0.00 C ATOM 287 O ILE A 19 -5.968 -2.046 -19.593 1.00 0.00 O ATOM 288 CB ILE A 19 -3.837 -0.491 -17.803 1.00 0.00 C ATOM 289 CG1 ILE A 19 -4.029 -1.901 -17.241 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.540 0.495 -16.683 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.773 -2.486 -16.635 1.00 0.00 C ATOM 0 H ILE A 19 -6.721 -0.883 -17.566 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.929 0.954 -18.977 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.987 -0.505 -18.485 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.812 -1.878 -16.483 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.377 -2.557 -18.039 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.653 0.171 -16.139 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.365 1.484 -17.106 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.389 0.537 -16.001 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.983 -3.486 -16.257 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.994 -2.542 -17.395 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.435 -1.852 -15.815 1.00 0.00 H new ATOM 303 N SER A 20 -4.763 -0.673 -20.907 1.00 0.00 N ATOM 304 CA SER A 20 -4.904 -1.507 -22.095 1.00 0.00 C ATOM 305 C SER A 20 -4.237 -2.863 -21.889 1.00 0.00 C ATOM 306 O SER A 20 -3.058 -2.942 -21.540 1.00 0.00 O ATOM 307 CB SER A 20 -4.296 -0.806 -23.311 1.00 0.00 C ATOM 308 OG SER A 20 -3.387 0.206 -22.915 1.00 0.00 O ATOM 0 H SER A 20 -4.216 0.176 -21.050 1.00 0.00 H new ATOM 0 HA SER A 20 -5.967 -1.668 -22.272 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.782 -1.536 -23.936 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.090 -0.369 -23.917 1.00 0.00 H new ATOM 0 HG SER A 20 -3.011 0.638 -23.710 1.00 0.00 H new ATOM 314 N LEU A 21 -4.999 -3.929 -22.108 1.00 0.00 N ATOM 315 CA LEU A 21 -4.483 -5.284 -21.947 1.00 0.00 C ATOM 316 C LEU A 21 -3.875 -5.794 -23.250 1.00 0.00 C ATOM 317 O LEU A 21 -3.131 -6.775 -23.257 1.00 0.00 O ATOM 318 CB LEU A 21 -5.599 -6.225 -21.489 1.00 0.00 C ATOM 319 CG LEU A 21 -6.979 -5.977 -22.100 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.927 -6.122 -23.613 1.00 0.00 C ATOM 321 CD2 LEU A 21 -8.005 -6.931 -21.506 1.00 0.00 C ATOM 0 H LEU A 21 -5.976 -3.881 -22.397 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.701 -5.261 -21.188 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.301 -7.248 -21.718 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.685 -6.153 -20.405 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.281 -4.957 -21.864 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.918 -5.942 -24.030 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.223 -5.398 -24.024 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.602 -7.130 -23.871 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.981 -6.740 -21.952 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.707 -7.959 -21.711 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.063 -6.778 -20.428 1.00 0.00 H new ATOM 333 N SER A 22 -4.195 -5.120 -24.350 1.00 0.00 N ATOM 334 CA SER A 22 -3.681 -5.505 -25.659 1.00 0.00 C ATOM 335 C SER A 22 -2.270 -4.966 -25.869 1.00 0.00 C ATOM 336 O SER A 22 -1.390 -5.675 -26.357 1.00 0.00 O ATOM 337 CB SER A 22 -4.606 -4.991 -26.764 1.00 0.00 C ATOM 338 OG SER A 22 -5.724 -5.845 -26.933 1.00 0.00 O ATOM 0 H SER A 22 -4.808 -4.305 -24.361 1.00 0.00 H new ATOM 0 HA SER A 22 -3.645 -6.594 -25.702 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.947 -3.985 -26.518 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.054 -4.920 -27.701 1.00 0.00 H new ATOM 0 HG SER A 22 -6.300 -5.493 -27.644 1.00 0.00 H new ATOM 344 N GLU A 23 -2.062 -3.707 -25.497 1.00 0.00 N ATOM 345 CA GLU A 23 -0.758 -3.072 -25.646 1.00 0.00 C ATOM 346 C GLU A 23 0.248 -3.659 -24.660 1.00 0.00 C ATOM 347 O GLU A 23 1.456 -3.633 -24.899 1.00 0.00 O ATOM 348 CB GLU A 23 -0.874 -1.561 -25.433 1.00 0.00 C ATOM 349 CG GLU A 23 -1.842 -0.884 -26.390 1.00 0.00 C ATOM 350 CD GLU A 23 -1.172 -0.425 -27.670 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.437 0.583 -27.626 1.00 0.00 O ATOM 352 OE2 GLU A 23 -1.382 -1.074 -28.716 1.00 0.00 O ATOM 0 H GLU A 23 -2.780 -3.107 -25.090 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.403 -3.263 -26.659 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.196 -1.370 -24.409 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.112 -1.110 -25.547 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.649 -1.575 -26.634 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.297 -0.026 -25.894 1.00 0.00 H new ATOM 359 N LEU A 24 -0.258 -4.188 -23.552 1.00 0.00 N ATOM 360 CA LEU A 24 0.595 -4.781 -22.528 1.00 0.00 C ATOM 361 C LEU A 24 1.365 -5.975 -23.086 1.00 0.00 C ATOM 362 O LEU A 24 2.596 -5.968 -23.131 1.00 0.00 O ATOM 363 CB LEU A 24 -0.244 -5.218 -21.327 1.00 0.00 C ATOM 364 CG LEU A 24 0.414 -6.218 -20.376 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.166 -7.644 -20.845 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.907 -5.944 -20.263 1.00 0.00 C ATOM 0 H LEU A 24 -1.255 -4.219 -23.339 1.00 0.00 H new ATOM 0 HA LEU A 24 1.313 -4.026 -22.206 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.516 -4.330 -20.757 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.171 -5.655 -21.697 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.033 -6.099 -19.389 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.642 -8.342 -20.156 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.907 -7.836 -20.873 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.585 -7.777 -21.843 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.359 -6.665 -19.582 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.369 -6.034 -21.246 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.064 -4.936 -19.880 1.00 0.00 H new ATOM 378 N THR A 25 0.632 -6.998 -23.513 1.00 0.00 N ATOM 379 CA THR A 25 1.245 -8.198 -24.069 1.00 0.00 C ATOM 380 C THR A 25 2.197 -7.852 -25.208 1.00 0.00 C ATOM 381 O THR A 25 3.229 -8.499 -25.385 1.00 0.00 O ATOM 382 CB THR A 25 0.180 -9.184 -24.587 1.00 0.00 C ATOM 383 OG1 THR A 25 0.799 -10.196 -25.389 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.877 -8.458 -25.405 1.00 0.00 C ATOM 0 H THR A 25 -0.387 -7.020 -23.484 1.00 0.00 H new ATOM 0 HA THR A 25 1.805 -8.670 -23.262 1.00 0.00 H new ATOM 0 HB THR A 25 -0.304 -9.647 -23.727 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.587 -10.547 -24.923 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.618 -9.174 -25.760 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.366 -7.708 -24.784 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.405 -7.971 -26.258 1.00 0.00 H new ATOM 392 N ASP A 26 1.845 -6.827 -25.977 1.00 0.00 N ATOM 393 CA ASP A 26 2.670 -6.394 -27.098 1.00 0.00 C ATOM 394 C ASP A 26 3.835 -5.536 -26.615 1.00 0.00 C ATOM 395 O ASP A 26 4.827 -5.364 -27.323 1.00 0.00 O ATOM 396 CB ASP A 26 1.827 -5.610 -28.106 1.00 0.00 C ATOM 397 CG ASP A 26 2.382 -5.694 -29.514 1.00 0.00 C ATOM 398 OD1 ASP A 26 2.385 -6.805 -30.086 1.00 0.00 O ATOM 399 OD2 ASP A 26 2.813 -4.650 -30.045 1.00 0.00 O ATOM 0 H ASP A 26 0.994 -6.281 -25.844 1.00 0.00 H new ATOM 0 HA ASP A 26 3.073 -7.282 -27.585 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.806 -5.993 -28.097 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.778 -4.565 -27.800 1.00 0.00 H new ATOM 404 N ALA A 27 3.708 -4.999 -25.406 1.00 0.00 N ATOM 405 CA ALA A 27 4.750 -4.161 -24.829 1.00 0.00 C ATOM 406 C ALA A 27 5.766 -4.999 -24.060 1.00 0.00 C ATOM 407 O ALA A 27 6.955 -4.677 -24.028 1.00 0.00 O ATOM 408 CB ALA A 27 4.137 -3.107 -23.919 1.00 0.00 C ATOM 0 H ALA A 27 2.893 -5.130 -24.807 1.00 0.00 H new ATOM 0 HA ALA A 27 5.273 -3.662 -25.645 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.928 -2.488 -23.495 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.456 -2.481 -24.495 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.588 -3.596 -23.114 1.00 0.00 H new ATOM 414 N LEU A 28 5.292 -6.074 -23.441 1.00 0.00 N ATOM 415 CA LEU A 28 6.159 -6.959 -22.672 1.00 0.00 C ATOM 416 C LEU A 28 7.378 -7.375 -23.490 1.00 0.00 C ATOM 417 O LEU A 28 8.492 -7.447 -22.971 1.00 0.00 O ATOM 418 CB LEU A 28 5.386 -8.200 -22.222 1.00 0.00 C ATOM 419 CG LEU A 28 4.773 -8.138 -20.823 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.893 -9.352 -20.571 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.863 -8.039 -19.766 1.00 0.00 C ATOM 0 H LEU A 28 4.311 -6.354 -23.457 1.00 0.00 H new ATOM 0 HA LEU A 28 6.503 -6.414 -21.793 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.586 -8.385 -22.939 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.058 -9.057 -22.265 1.00 0.00 H new ATOM 0 HG LEU A 28 4.151 -7.245 -20.760 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.466 -9.290 -19.570 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.090 -9.378 -21.308 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.492 -10.259 -20.654 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.408 -7.996 -18.777 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.512 -8.913 -19.829 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.452 -7.137 -19.934 1.00 0.00 H new ATOM 433 N ARG A 29 7.158 -7.644 -24.773 1.00 0.00 N ATOM 434 CA ARG A 29 8.238 -8.052 -25.664 1.00 0.00 C ATOM 435 C ARG A 29 9.364 -7.022 -25.659 1.00 0.00 C ATOM 436 O ARG A 29 10.537 -7.366 -25.810 1.00 0.00 O ATOM 437 CB ARG A 29 7.710 -8.239 -27.087 1.00 0.00 C ATOM 438 CG ARG A 29 7.321 -6.938 -27.769 1.00 0.00 C ATOM 439 CD ARG A 29 6.381 -7.182 -28.939 1.00 0.00 C ATOM 440 NE ARG A 29 6.493 -6.141 -29.958 1.00 0.00 N ATOM 441 CZ ARG A 29 6.061 -6.284 -31.205 1.00 0.00 C ATOM 442 NH1 ARG A 29 5.491 -7.418 -31.587 1.00 0.00 N ATOM 443 NH2 ARG A 29 6.199 -5.291 -32.074 1.00 0.00 N ATOM 0 H ARG A 29 6.242 -7.587 -25.219 1.00 0.00 H new ATOM 0 HA ARG A 29 8.635 -9.001 -25.303 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.472 -8.739 -27.685 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.842 -8.898 -27.060 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.841 -6.277 -27.047 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.218 -6.428 -28.121 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.602 -8.151 -29.385 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.354 -7.225 -28.576 1.00 0.00 H new ATOM 0 HE ARG A 29 6.927 -5.256 -29.697 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.383 -8.184 -30.922 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.160 -7.525 -32.546 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.637 -4.417 -31.784 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.867 -5.402 -33.032 1.00 0.00 H new ATOM 457 N THR A 30 9.000 -5.755 -25.484 1.00 0.00 N ATOM 458 CA THR A 30 9.978 -4.675 -25.462 1.00 0.00 C ATOM 459 C THR A 30 10.830 -4.731 -24.199 1.00 0.00 C ATOM 460 O THR A 30 11.955 -4.231 -24.174 1.00 0.00 O ATOM 461 CB THR A 30 9.295 -3.297 -25.546 1.00 0.00 C ATOM 462 OG1 THR A 30 10.075 -2.412 -26.357 1.00 0.00 O ATOM 463 CG2 THR A 30 9.116 -2.696 -24.159 1.00 0.00 C ATOM 0 H THR A 30 8.035 -5.452 -25.355 1.00 0.00 H new ATOM 0 HA THR A 30 10.617 -4.809 -26.335 1.00 0.00 H new ATOM 0 HB THR A 30 8.312 -3.431 -25.997 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.633 -1.539 -26.407 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.632 -1.723 -24.244 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.497 -3.358 -23.553 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.091 -2.576 -23.686 1.00 0.00 H new ATOM 471 N LEU A 31 10.288 -5.343 -23.152 1.00 0.00 N ATOM 472 CA LEU A 31 10.999 -5.465 -21.884 1.00 0.00 C ATOM 473 C LEU A 31 11.898 -6.698 -21.881 1.00 0.00 C ATOM 474 O LEU A 31 12.633 -6.940 -20.925 1.00 0.00 O ATOM 475 CB LEU A 31 10.005 -5.542 -20.724 1.00 0.00 C ATOM 476 CG LEU A 31 9.768 -4.241 -19.957 1.00 0.00 C ATOM 477 CD1 LEU A 31 11.075 -3.710 -19.389 1.00 0.00 C ATOM 478 CD2 LEU A 31 9.115 -3.202 -20.857 1.00 0.00 C ATOM 0 H LEU A 31 9.358 -5.763 -23.156 1.00 0.00 H new ATOM 0 HA LEU A 31 11.624 -4.581 -21.760 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.048 -5.890 -21.114 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.356 -6.297 -20.020 1.00 0.00 H new ATOM 0 HG LEU A 31 9.093 -4.450 -19.127 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.886 -2.784 -18.847 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.503 -4.447 -18.710 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.774 -3.518 -20.203 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.954 -2.283 -20.294 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.765 -2.997 -21.708 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.158 -3.581 -21.215 1.00 0.00 H new ATOM 490 N GLY A 32 11.834 -7.473 -22.959 1.00 0.00 N ATOM 491 CA GLY A 32 12.648 -8.670 -23.061 1.00 0.00 C ATOM 492 C GLY A 32 11.870 -9.930 -22.739 1.00 0.00 C ATOM 493 O GLY A 32 12.372 -11.040 -22.915 1.00 0.00 O ATOM 0 H GLY A 32 11.233 -7.293 -23.763 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.053 -8.745 -24.070 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.497 -8.587 -22.382 1.00 0.00 H new ATOM 497 N SER A 33 10.640 -9.759 -22.265 1.00 0.00 N ATOM 498 CA SER A 33 9.792 -10.892 -21.912 1.00 0.00 C ATOM 499 C SER A 33 9.703 -11.884 -23.068 1.00 0.00 C ATOM 500 O SER A 33 9.426 -11.506 -24.207 1.00 0.00 O ATOM 501 CB SER A 33 8.392 -10.409 -21.530 1.00 0.00 C ATOM 502 OG SER A 33 8.115 -10.675 -20.166 1.00 0.00 O ATOM 0 H SER A 33 10.208 -8.847 -22.117 1.00 0.00 H new ATOM 0 HA SER A 33 10.240 -11.397 -21.056 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.309 -9.339 -21.719 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.650 -10.902 -22.158 1.00 0.00 H new ATOM 0 HG SER A 33 7.186 -10.974 -20.073 1.00 0.00 H new ATOM 508 N THR A 34 9.939 -13.157 -22.766 1.00 0.00 N ATOM 509 CA THR A 34 9.886 -14.205 -23.778 1.00 0.00 C ATOM 510 C THR A 34 8.583 -14.990 -23.689 1.00 0.00 C ATOM 511 O THR A 34 8.527 -16.163 -24.059 1.00 0.00 O ATOM 512 CB THR A 34 11.070 -15.180 -23.638 1.00 0.00 C ATOM 513 OG1 THR A 34 11.059 -16.122 -24.717 1.00 0.00 O ATOM 514 CG2 THR A 34 11.008 -15.921 -22.311 1.00 0.00 C ATOM 0 H THR A 34 10.169 -13.487 -21.829 1.00 0.00 H new ATOM 0 HA THR A 34 9.943 -13.711 -24.748 1.00 0.00 H new ATOM 0 HB THR A 34 11.993 -14.602 -23.670 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.151 -16.471 -24.838 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.855 -16.604 -22.235 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.046 -15.203 -21.491 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.079 -16.488 -22.254 1.00 0.00 H new ATOM 522 N SER A 35 7.535 -14.336 -23.198 1.00 0.00 N ATOM 523 CA SER A 35 6.232 -14.975 -23.059 1.00 0.00 C ATOM 524 C SER A 35 5.117 -14.040 -23.519 1.00 0.00 C ATOM 525 O SER A 35 3.949 -14.237 -23.183 1.00 0.00 O ATOM 526 CB SER A 35 5.997 -15.389 -21.605 1.00 0.00 C ATOM 527 OG SER A 35 6.527 -16.679 -21.351 1.00 0.00 O ATOM 0 H SER A 35 7.563 -13.364 -22.890 1.00 0.00 H new ATOM 0 HA SER A 35 6.221 -15.864 -23.690 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.461 -14.663 -20.937 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.929 -15.382 -21.390 1.00 0.00 H new ATOM 0 HG SER A 35 6.366 -16.920 -20.415 1.00 0.00 H new ATOM 533 N ALA A 36 5.487 -13.024 -24.291 1.00 0.00 N ATOM 534 CA ALA A 36 4.519 -12.060 -24.800 1.00 0.00 C ATOM 535 C ALA A 36 3.376 -12.761 -25.526 1.00 0.00 C ATOM 536 O ALA A 36 2.267 -12.233 -25.613 1.00 0.00 O ATOM 537 CB ALA A 36 5.203 -11.064 -25.726 1.00 0.00 C ATOM 0 H ALA A 36 6.450 -12.847 -24.578 1.00 0.00 H new ATOM 0 HA ALA A 36 4.099 -11.521 -23.951 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.469 -10.350 -26.099 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.980 -10.532 -25.178 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.651 -11.596 -26.566 1.00 0.00 H new ATOM 543 N ASP A 37 3.653 -13.951 -26.045 1.00 0.00 N ATOM 544 CA ASP A 37 2.647 -14.725 -26.764 1.00 0.00 C ATOM 545 C ASP A 37 1.766 -15.506 -25.793 1.00 0.00 C ATOM 546 O ASP A 37 0.593 -15.753 -26.067 1.00 0.00 O ATOM 547 CB ASP A 37 3.317 -15.684 -27.748 1.00 0.00 C ATOM 548 CG ASP A 37 4.547 -15.081 -28.398 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.389 -14.328 -29.382 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.668 -15.362 -27.924 1.00 0.00 O ATOM 0 H ASP A 37 4.566 -14.402 -25.982 1.00 0.00 H new ATOM 0 HA ASP A 37 2.018 -14.029 -27.319 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.597 -16.599 -27.226 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.602 -15.965 -28.521 1.00 0.00 H new ATOM 555 N GLU A 38 2.343 -15.892 -24.659 1.00 0.00 N ATOM 556 CA GLU A 38 1.610 -16.646 -23.649 1.00 0.00 C ATOM 557 C GLU A 38 0.800 -15.713 -22.753 1.00 0.00 C ATOM 558 O GLU A 38 -0.242 -16.094 -22.221 1.00 0.00 O ATOM 559 CB GLU A 38 2.576 -17.475 -22.799 1.00 0.00 C ATOM 560 CG GLU A 38 1.881 -18.363 -21.780 1.00 0.00 C ATOM 561 CD GLU A 38 2.695 -19.593 -21.427 1.00 0.00 C ATOM 562 OE1 GLU A 38 3.223 -20.242 -22.354 1.00 0.00 O ATOM 563 OE2 GLU A 38 2.804 -19.905 -20.223 1.00 0.00 O ATOM 0 H GLU A 38 3.314 -15.695 -24.417 1.00 0.00 H new ATOM 0 HA GLU A 38 0.921 -17.316 -24.163 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.183 -18.097 -23.457 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.257 -16.802 -22.278 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.687 -17.788 -20.875 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.913 -18.673 -22.174 1.00 0.00 H new ATOM 570 N VAL A 39 1.289 -14.487 -22.590 1.00 0.00 N ATOM 571 CA VAL A 39 0.612 -13.498 -21.760 1.00 0.00 C ATOM 572 C VAL A 39 -0.634 -12.958 -22.454 1.00 0.00 C ATOM 573 O VAL A 39 -1.629 -12.642 -21.804 1.00 0.00 O ATOM 574 CB VAL A 39 1.545 -12.322 -21.415 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.896 -11.534 -22.667 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.902 -11.422 -20.370 1.00 0.00 C ATOM 0 H VAL A 39 2.151 -14.156 -23.022 1.00 0.00 H new ATOM 0 HA VAL A 39 0.321 -14.003 -20.839 1.00 0.00 H new ATOM 0 HB VAL A 39 2.468 -12.723 -20.997 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.556 -10.707 -22.404 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.400 -12.188 -23.379 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.984 -11.141 -23.117 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.574 -10.596 -20.138 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.037 -11.027 -20.758 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.707 -11.997 -19.465 1.00 0.00 H new ATOM 586 N GLN A 40 -0.570 -12.857 -23.778 1.00 0.00 N ATOM 587 CA GLN A 40 -1.693 -12.355 -24.560 1.00 0.00 C ATOM 588 C GLN A 40 -2.943 -13.196 -24.320 1.00 0.00 C ATOM 589 O GLN A 40 -4.047 -12.665 -24.201 1.00 0.00 O ATOM 590 CB GLN A 40 -1.344 -12.352 -26.049 1.00 0.00 C ATOM 591 CG GLN A 40 -2.548 -12.549 -26.956 1.00 0.00 C ATOM 592 CD GLN A 40 -2.174 -12.569 -28.426 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.101 -13.278 -28.754 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.842 -11.953 -29.256 1.00 0.00 N flip ATOM 0 H GLN A 40 0.247 -13.116 -24.331 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.898 -11.333 -24.240 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.862 -11.407 -26.299 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.619 -13.141 -26.245 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.043 -13.485 -26.698 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.267 -11.749 -26.779 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.660 -11.421 -28.959 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.578 -11.975 -30.241 1.00 0.00 H new ATOM 603 N ARG A 41 -2.760 -14.511 -24.250 1.00 0.00 N ATOM 604 CA ARG A 41 -3.873 -15.425 -24.026 1.00 0.00 C ATOM 605 C ARG A 41 -4.264 -15.455 -22.552 1.00 0.00 C ATOM 606 O ARG A 41 -5.379 -15.842 -22.203 1.00 0.00 O ATOM 607 CB ARG A 41 -3.506 -16.834 -24.496 1.00 0.00 C ATOM 608 CG ARG A 41 -2.224 -17.367 -23.878 1.00 0.00 C ATOM 609 CD ARG A 41 -1.874 -18.744 -24.421 1.00 0.00 C ATOM 610 NE ARG A 41 -2.028 -18.815 -25.872 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.173 -19.954 -26.541 1.00 0.00 C ATOM 612 NH1 ARG A 41 -2.185 -21.110 -25.892 1.00 0.00 N ATOM 613 NH2 ARG A 41 -2.307 -19.937 -27.861 1.00 0.00 N ATOM 0 H ARG A 41 -1.852 -14.966 -24.345 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.726 -15.067 -24.603 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.325 -17.513 -24.256 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.402 -16.831 -25.581 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.406 -16.676 -24.081 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.335 -17.419 -22.795 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.846 -18.989 -24.153 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.513 -19.492 -23.951 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.024 -17.943 -26.401 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.083 -21.126 -24.877 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.296 -21.983 -26.407 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.299 -19.049 -28.363 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.418 -20.812 -28.374 1.00 0.00 H new ATOM 627 N MET A 42 -3.339 -15.045 -21.691 1.00 0.00 N ATOM 628 CA MET A 42 -3.587 -15.024 -20.254 1.00 0.00 C ATOM 629 C MET A 42 -4.395 -13.791 -19.860 1.00 0.00 C ATOM 630 O MET A 42 -5.405 -13.896 -19.165 1.00 0.00 O ATOM 631 CB MET A 42 -2.265 -15.049 -19.486 1.00 0.00 C ATOM 632 CG MET A 42 -1.507 -16.359 -19.623 1.00 0.00 C ATOM 633 SD MET A 42 -2.041 -17.599 -18.428 1.00 0.00 S ATOM 634 CE MET A 42 -1.198 -19.053 -19.048 1.00 0.00 C ATOM 0 H MET A 42 -2.410 -14.723 -21.963 1.00 0.00 H new ATOM 0 HA MET A 42 -4.164 -15.912 -19.997 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.633 -14.234 -19.840 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.464 -14.862 -18.431 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.644 -16.749 -20.631 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.441 -16.172 -19.495 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.986 -19.731 -18.221 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.832 -19.558 -19.777 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.263 -18.757 -19.523 1.00 0.00 H new ATOM 644 N MET A 43 -3.942 -12.625 -20.307 1.00 0.00 N ATOM 645 CA MET A 43 -4.624 -11.372 -20.001 1.00 0.00 C ATOM 646 C MET A 43 -6.088 -11.434 -20.423 1.00 0.00 C ATOM 647 O MET A 43 -6.929 -10.714 -19.885 1.00 0.00 O ATOM 648 CB MET A 43 -3.928 -10.203 -20.701 1.00 0.00 C ATOM 649 CG MET A 43 -3.697 -10.434 -22.186 1.00 0.00 C ATOM 650 SD MET A 43 -5.062 -9.837 -23.202 1.00 0.00 S ATOM 651 CE MET A 43 -4.223 -9.546 -24.757 1.00 0.00 C ATOM 0 H MET A 43 -3.106 -12.521 -20.882 1.00 0.00 H new ATOM 0 HA MET A 43 -4.581 -11.217 -18.923 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.529 -9.303 -20.571 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.969 -10.019 -20.217 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.777 -9.933 -22.489 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.554 -11.499 -22.366 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.960 -9.362 -25.539 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.571 -8.678 -24.662 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.627 -10.421 -25.018 1.00 0.00 H new ATOM 661 N ALA A 44 -6.386 -12.297 -21.389 1.00 0.00 N ATOM 662 CA ALA A 44 -7.749 -12.452 -21.881 1.00 0.00 C ATOM 663 C ALA A 44 -8.640 -13.106 -20.831 1.00 0.00 C ATOM 664 O ALA A 44 -9.864 -12.983 -20.879 1.00 0.00 O ATOM 665 CB ALA A 44 -7.756 -13.269 -23.165 1.00 0.00 C ATOM 0 H ALA A 44 -5.701 -12.899 -21.846 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.149 -11.460 -22.092 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.780 -13.377 -23.522 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.160 -12.761 -23.923 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.333 -14.255 -22.971 1.00 0.00 H new ATOM 671 N GLU A 45 -8.019 -13.802 -19.884 1.00 0.00 N ATOM 672 CA GLU A 45 -8.758 -14.476 -18.823 1.00 0.00 C ATOM 673 C GLU A 45 -9.318 -13.468 -17.824 1.00 0.00 C ATOM 674 O GLU A 45 -10.486 -13.540 -17.441 1.00 0.00 O ATOM 675 CB GLU A 45 -7.856 -15.479 -18.101 1.00 0.00 C ATOM 676 CG GLU A 45 -7.390 -16.625 -18.984 1.00 0.00 C ATOM 677 CD GLU A 45 -7.055 -17.873 -18.191 1.00 0.00 C ATOM 678 OE1 GLU A 45 -6.859 -17.761 -16.963 1.00 0.00 O ATOM 679 OE2 GLU A 45 -6.987 -18.962 -18.799 1.00 0.00 O ATOM 0 H GLU A 45 -7.007 -13.914 -19.830 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.592 -15.010 -19.279 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.984 -14.955 -17.710 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.393 -15.887 -17.244 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.168 -16.859 -19.711 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.512 -16.311 -19.548 1.00 0.00 H new ATOM 686 N ILE A 46 -8.476 -12.529 -17.405 1.00 0.00 N ATOM 687 CA ILE A 46 -8.886 -11.506 -16.451 1.00 0.00 C ATOM 688 C ILE A 46 -9.919 -10.566 -17.064 1.00 0.00 C ATOM 689 O ILE A 46 -10.789 -10.046 -16.367 1.00 0.00 O ATOM 690 CB ILE A 46 -7.683 -10.679 -15.961 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.904 -10.116 -17.152 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.777 -11.530 -15.083 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.836 -9.120 -16.759 1.00 0.00 C ATOM 0 H ILE A 46 -7.506 -12.456 -17.711 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.329 -12.026 -15.602 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.053 -9.844 -15.366 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.439 -10.940 -17.694 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.602 -9.636 -17.838 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.931 -10.931 -14.745 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.338 -11.887 -14.219 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.412 -12.383 -15.656 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.325 -8.763 -17.653 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.296 -8.277 -16.243 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.116 -9.601 -16.097 1.00 0.00 H new ATOM 705 N ASP A 47 -9.817 -10.355 -18.372 1.00 0.00 N ATOM 706 CA ASP A 47 -10.744 -9.479 -19.079 1.00 0.00 C ATOM 707 C ASP A 47 -12.105 -10.147 -19.245 1.00 0.00 C ATOM 708 O ASP A 47 -12.245 -11.123 -19.983 1.00 0.00 O ATOM 709 CB ASP A 47 -10.177 -9.103 -20.450 1.00 0.00 C ATOM 710 CG ASP A 47 -10.882 -7.907 -21.057 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.629 -7.178 -20.235 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.757 -7.640 -22.252 1.00 0.00 O ATOM 0 H ASP A 47 -9.102 -10.778 -18.964 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.874 -8.574 -18.486 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.114 -8.884 -20.353 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.267 -9.955 -21.124 1.00 0.00 H new ATOM 717 N THR A 48 -13.108 -9.615 -18.553 1.00 0.00 N ATOM 718 CA THR A 48 -14.458 -10.159 -18.623 1.00 0.00 C ATOM 719 C THR A 48 -15.299 -9.413 -19.653 1.00 0.00 C ATOM 720 O THR A 48 -16.344 -9.901 -20.086 1.00 0.00 O ATOM 721 CB THR A 48 -15.163 -10.091 -17.255 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.358 -10.879 -17.280 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.505 -8.653 -16.893 1.00 0.00 C ATOM 0 H THR A 48 -13.010 -8.808 -17.938 1.00 0.00 H new ATOM 0 HA THR A 48 -14.363 -11.203 -18.923 1.00 0.00 H new ATOM 0 HB THR A 48 -14.483 -10.487 -16.501 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.681 -10.955 -18.202 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.002 -8.630 -15.923 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.590 -8.062 -16.846 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.168 -8.235 -17.650 1.00 0.00 H new ATOM 731 N ASP A 49 -14.838 -8.230 -20.041 1.00 0.00 N ATOM 732 CA ASP A 49 -15.547 -7.417 -21.022 1.00 0.00 C ATOM 733 C ASP A 49 -14.874 -7.503 -22.388 1.00 0.00 C ATOM 734 O ASP A 49 -15.303 -6.859 -23.345 1.00 0.00 O ATOM 735 CB ASP A 49 -15.608 -5.960 -20.561 1.00 0.00 C ATOM 736 CG ASP A 49 -15.038 -5.769 -19.169 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.809 -5.876 -18.193 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.821 -5.512 -19.056 1.00 0.00 O ATOM 0 H ASP A 49 -13.976 -7.812 -19.691 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.562 -7.804 -21.112 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.057 -5.336 -21.265 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.644 -5.620 -20.576 1.00 0.00 H new ATOM 743 N GLY A 50 -13.814 -8.302 -22.471 1.00 0.00 N ATOM 744 CA GLY A 50 -13.097 -8.457 -23.724 1.00 0.00 C ATOM 745 C GLY A 50 -12.783 -7.127 -24.380 1.00 0.00 C ATOM 746 O GLY A 50 -12.746 -7.025 -25.606 1.00 0.00 O ATOM 0 H GLY A 50 -13.439 -8.845 -21.693 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.168 -8.998 -23.543 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.692 -9.064 -24.407 1.00 0.00 H new ATOM 750 N ASP A 51 -12.558 -6.104 -23.562 1.00 0.00 N ATOM 751 CA ASP A 51 -12.246 -4.773 -24.070 1.00 0.00 C ATOM 752 C ASP A 51 -10.754 -4.481 -23.949 1.00 0.00 C ATOM 753 O ASP A 51 -10.013 -5.232 -23.315 1.00 0.00 O ATOM 754 CB ASP A 51 -13.048 -3.714 -23.312 1.00 0.00 C ATOM 755 CG ASP A 51 -12.517 -3.476 -21.912 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.208 -4.468 -21.219 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.409 -2.299 -21.511 1.00 0.00 O ATOM 0 H ASP A 51 -12.586 -6.171 -22.545 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.520 -4.740 -25.124 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.026 -2.778 -23.870 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.091 -4.025 -23.254 1.00 0.00 H new ATOM 762 N GLY A 52 -10.318 -3.385 -24.563 1.00 0.00 N ATOM 763 CA GLY A 52 -8.916 -3.014 -24.513 1.00 0.00 C ATOM 764 C GLY A 52 -8.567 -2.234 -23.262 1.00 0.00 C ATOM 765 O GLY A 52 -7.827 -1.251 -23.321 1.00 0.00 O ATOM 0 H GLY A 52 -10.911 -2.747 -25.094 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.303 -3.914 -24.559 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.670 -2.416 -25.391 1.00 0.00 H new ATOM 769 N PHE A 53 -9.102 -2.669 -22.126 1.00 0.00 N ATOM 770 CA PHE A 53 -8.845 -2.003 -20.855 1.00 0.00 C ATOM 771 C PHE A 53 -9.169 -2.924 -19.682 1.00 0.00 C ATOM 772 O PHE A 53 -10.104 -3.723 -19.748 1.00 0.00 O ATOM 773 CB PHE A 53 -9.670 -0.718 -20.753 1.00 0.00 C ATOM 774 CG PHE A 53 -9.138 0.404 -21.598 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.985 1.079 -21.231 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.792 0.785 -22.758 1.00 0.00 C ATOM 777 CE1 PHE A 53 -7.494 2.112 -22.007 1.00 0.00 C ATOM 778 CE2 PHE A 53 -9.306 1.818 -23.538 1.00 0.00 C ATOM 779 CZ PHE A 53 -8.155 2.481 -23.162 1.00 0.00 C ATOM 0 H PHE A 53 -9.717 -3.480 -22.060 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.785 -1.751 -20.813 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.697 -0.930 -21.050 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.699 -0.396 -19.712 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.464 0.795 -20.329 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.692 0.269 -23.057 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.594 2.630 -21.710 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.826 2.106 -24.440 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.772 3.287 -23.770 1.00 0.00 H new ATOM 789 N ILE A 54 -8.391 -2.806 -18.612 1.00 0.00 N ATOM 790 CA ILE A 54 -8.595 -3.626 -17.425 1.00 0.00 C ATOM 791 C ILE A 54 -8.465 -2.796 -16.153 1.00 0.00 C ATOM 792 O ILE A 54 -7.615 -1.910 -16.062 1.00 0.00 O ATOM 793 CB ILE A 54 -7.592 -4.793 -17.368 1.00 0.00 C ATOM 794 CG1 ILE A 54 -6.159 -4.269 -17.486 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.886 -5.799 -18.470 1.00 0.00 C ATOM 796 CD1 ILE A 54 -5.109 -5.287 -17.100 1.00 0.00 C ATOM 0 H ILE A 54 -7.613 -2.150 -18.543 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.606 -4.029 -17.490 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.697 -5.296 -16.407 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.982 -3.948 -18.512 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.050 -3.388 -16.853 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.168 -6.618 -18.416 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.895 -6.192 -18.344 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.806 -5.309 -19.441 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.118 -4.846 -17.208 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.260 -5.591 -16.064 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.191 -6.159 -17.749 1.00 0.00 H new ATOM 808 N ASP A 55 -9.312 -3.089 -15.172 1.00 0.00 N ATOM 809 CA ASP A 55 -9.290 -2.371 -13.903 1.00 0.00 C ATOM 810 C ASP A 55 -8.397 -3.083 -12.892 1.00 0.00 C ATOM 811 O ASP A 55 -7.859 -4.155 -13.169 1.00 0.00 O ATOM 812 CB ASP A 55 -10.707 -2.236 -13.345 1.00 0.00 C ATOM 813 CG ASP A 55 -11.704 -1.789 -14.396 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.995 -2.584 -15.314 1.00 0.00 O ATOM 815 OD2 ASP A 55 -12.193 -0.644 -14.300 1.00 0.00 O ATOM 0 H ASP A 55 -10.022 -3.819 -15.231 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.883 -1.376 -14.083 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.024 -3.193 -12.932 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.704 -1.520 -12.524 1.00 0.00 H new ATOM 820 N PHE A 56 -8.243 -2.479 -11.718 1.00 0.00 N ATOM 821 CA PHE A 56 -7.413 -3.054 -10.665 1.00 0.00 C ATOM 822 C PHE A 56 -7.789 -4.511 -10.411 1.00 0.00 C ATOM 823 O PHE A 56 -6.921 -5.373 -10.281 1.00 0.00 O ATOM 824 CB PHE A 56 -7.558 -2.245 -9.374 1.00 0.00 C ATOM 825 CG PHE A 56 -6.378 -2.371 -8.453 1.00 0.00 C ATOM 826 CD1 PHE A 56 -5.088 -2.197 -8.930 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.558 -2.664 -7.111 1.00 0.00 C ATOM 828 CE1 PHE A 56 -4.001 -2.312 -8.085 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.474 -2.780 -6.261 1.00 0.00 C ATOM 830 CZ PHE A 56 -4.194 -2.605 -6.749 1.00 0.00 C ATOM 0 H PHE A 56 -8.682 -1.592 -11.472 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.374 -3.017 -10.994 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.701 -1.194 -9.627 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.456 -2.571 -8.849 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.931 -1.969 -9.974 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.557 -2.803 -6.724 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.001 -2.173 -8.469 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.628 -3.007 -5.216 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.345 -2.697 -6.087 1.00 0.00 H new ATOM 840 N ASN A 57 -9.089 -4.777 -10.342 1.00 0.00 N ATOM 841 CA ASN A 57 -9.581 -6.128 -10.102 1.00 0.00 C ATOM 842 C ASN A 57 -9.181 -7.063 -11.240 1.00 0.00 C ATOM 843 O ASN A 57 -8.822 -8.217 -11.011 1.00 0.00 O ATOM 844 CB ASN A 57 -11.103 -6.120 -9.946 1.00 0.00 C ATOM 845 CG ASN A 57 -11.553 -6.717 -8.626 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.514 -7.484 -8.575 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.857 -6.365 -7.551 1.00 0.00 N ATOM 0 H ASN A 57 -9.821 -4.075 -10.449 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.130 -6.493 -9.179 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.468 -5.096 -10.021 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.552 -6.679 -10.766 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.112 -6.734 -6.635 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.067 -5.726 -7.642 1.00 0.00 H new ATOM 854 N GLU A 58 -9.246 -6.554 -12.467 1.00 0.00 N ATOM 855 CA GLU A 58 -8.890 -7.344 -13.640 1.00 0.00 C ATOM 856 C GLU A 58 -7.393 -7.639 -13.663 1.00 0.00 C ATOM 857 O GLU A 58 -6.978 -8.797 -13.719 1.00 0.00 O ATOM 858 CB GLU A 58 -9.296 -6.609 -14.919 1.00 0.00 C ATOM 859 CG GLU A 58 -10.783 -6.687 -15.220 1.00 0.00 C ATOM 860 CD GLU A 58 -11.122 -6.203 -16.616 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.437 -6.624 -17.572 1.00 0.00 O ATOM 862 OE2 GLU A 58 -12.071 -5.403 -16.754 1.00 0.00 O ATOM 0 H GLU A 58 -9.541 -5.600 -12.674 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.428 -8.290 -13.587 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.006 -5.562 -14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.741 -7.026 -15.759 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.119 -7.717 -15.105 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.329 -6.090 -14.490 1.00 0.00 H new ATOM 869 N PHE A 59 -6.587 -6.584 -13.621 1.00 0.00 N ATOM 870 CA PHE A 59 -5.136 -6.729 -13.639 1.00 0.00 C ATOM 871 C PHE A 59 -4.662 -7.598 -12.478 1.00 0.00 C ATOM 872 O PHE A 59 -3.733 -8.393 -12.623 1.00 0.00 O ATOM 873 CB PHE A 59 -4.464 -5.356 -13.572 1.00 0.00 C ATOM 874 CG PHE A 59 -2.995 -5.391 -13.885 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.534 -5.998 -15.042 1.00 0.00 C ATOM 876 CD2 PHE A 59 -2.076 -4.818 -13.021 1.00 0.00 C ATOM 877 CE1 PHE A 59 -1.183 -6.032 -15.333 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.724 -4.849 -13.307 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.277 -5.458 -14.463 1.00 0.00 C ATOM 0 H PHE A 59 -6.914 -5.619 -13.574 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.856 -7.217 -14.573 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.960 -4.683 -14.271 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.605 -4.940 -12.575 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.238 -6.450 -15.725 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.420 -4.342 -12.114 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.837 -6.507 -16.239 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.017 -4.397 -12.627 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.779 -5.485 -14.686 1.00 0.00 H new ATOM 889 N ILE A 60 -5.305 -7.438 -11.326 1.00 0.00 N ATOM 890 CA ILE A 60 -4.950 -8.207 -10.140 1.00 0.00 C ATOM 891 C ILE A 60 -5.241 -9.691 -10.340 1.00 0.00 C ATOM 892 O ILE A 60 -4.404 -10.543 -10.045 1.00 0.00 O ATOM 893 CB ILE A 60 -5.711 -7.709 -8.898 1.00 0.00 C ATOM 894 CG1 ILE A 60 -5.054 -6.444 -8.343 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.760 -8.797 -7.835 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.790 -6.714 -7.557 1.00 0.00 C ATOM 0 H ILE A 60 -6.075 -6.783 -11.189 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.881 -8.067 -9.981 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.733 -7.467 -9.190 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.822 -5.773 -9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.767 -5.925 -7.702 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.301 -8.430 -6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.269 -9.674 -8.235 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.745 -9.068 -7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.379 -5.772 -7.194 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.019 -7.360 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.059 -7.205 -8.200 1.00 0.00 H new ATOM 908 N SER A 61 -6.434 -9.992 -10.844 1.00 0.00 N ATOM 909 CA SER A 61 -6.837 -11.373 -11.082 1.00 0.00 C ATOM 910 C SER A 61 -5.741 -12.140 -11.815 1.00 0.00 C ATOM 911 O SER A 61 -5.621 -13.358 -11.678 1.00 0.00 O ATOM 912 CB SER A 61 -8.134 -11.416 -11.891 1.00 0.00 C ATOM 913 OG SER A 61 -8.382 -12.719 -12.389 1.00 0.00 O ATOM 0 H SER A 61 -7.138 -9.298 -11.095 1.00 0.00 H new ATOM 0 HA SER A 61 -7.005 -11.848 -10.115 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.968 -11.098 -11.265 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.072 -10.712 -12.721 1.00 0.00 H new ATOM 0 HG SER A 61 -9.010 -12.668 -13.140 1.00 0.00 H new ATOM 919 N PHE A 62 -4.942 -11.418 -12.594 1.00 0.00 N ATOM 920 CA PHE A 62 -3.856 -12.030 -13.351 1.00 0.00 C ATOM 921 C PHE A 62 -2.788 -12.588 -12.415 1.00 0.00 C ATOM 922 O PHE A 62 -2.317 -13.712 -12.594 1.00 0.00 O ATOM 923 CB PHE A 62 -3.232 -11.008 -14.304 1.00 0.00 C ATOM 924 CG PHE A 62 -2.512 -11.633 -15.465 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.540 -12.598 -15.256 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.808 -11.256 -16.765 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.876 -13.174 -16.323 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.148 -11.828 -17.835 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.181 -12.789 -17.614 1.00 0.00 C ATOM 0 H PHE A 62 -5.026 -10.409 -12.718 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.270 -12.854 -13.933 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.015 -10.351 -14.683 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.534 -10.383 -13.747 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.298 -12.904 -14.249 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.564 -10.506 -16.944 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.119 -13.924 -16.147 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.388 -11.524 -18.843 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.664 -13.239 -18.449 1.00 0.00 H new ATOM 939 N CYS A 63 -2.411 -11.795 -11.418 1.00 0.00 N ATOM 940 CA CYS A 63 -1.397 -12.208 -10.454 1.00 0.00 C ATOM 941 C CYS A 63 -1.966 -13.225 -9.469 1.00 0.00 C ATOM 942 O CYS A 63 -1.329 -14.232 -9.165 1.00 0.00 O ATOM 943 CB CYS A 63 -0.858 -10.994 -9.698 1.00 0.00 C ATOM 944 SG CYS A 63 0.361 -11.398 -8.425 1.00 0.00 S ATOM 0 H CYS A 63 -2.792 -10.863 -11.256 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.580 -12.677 -11.002 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.407 -10.306 -10.412 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.693 -10.469 -9.233 1.00 0.00 H new ATOM 0 HG CYS A 63 1.070 -10.343 -8.153 1.00 0.00 H new ATOM 950 N ASN A 64 -3.169 -12.951 -8.973 1.00 0.00 N ATOM 951 CA ASN A 64 -3.823 -13.841 -8.020 1.00 0.00 C ATOM 952 C ASN A 64 -3.971 -15.244 -8.600 1.00 0.00 C ATOM 953 O ASN A 64 -4.084 -16.223 -7.862 1.00 0.00 O ATOM 954 CB ASN A 64 -5.197 -13.288 -7.636 1.00 0.00 C ATOM 955 CG ASN A 64 -5.206 -12.677 -6.248 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.686 -13.287 -5.292 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.675 -11.466 -6.132 1.00 0.00 N ATOM 0 H ASN A 64 -3.710 -12.121 -9.215 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.200 -13.900 -7.128 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.499 -12.535 -8.364 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.934 -14.089 -7.682 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.653 -11.004 -5.223 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.289 -10.998 -6.952 1.00 0.00 H new ATOM 964 N ALA A 65 -3.968 -15.335 -9.926 1.00 0.00 N ATOM 965 CA ALA A 65 -4.099 -16.618 -10.604 1.00 0.00 C ATOM 966 C ALA A 65 -2.758 -17.342 -10.673 1.00 0.00 C ATOM 967 O ALA A 65 -2.707 -18.554 -10.880 1.00 0.00 O ATOM 968 CB ALA A 65 -4.667 -16.421 -12.002 1.00 0.00 C ATOM 0 H ALA A 65 -3.876 -14.535 -10.552 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.787 -17.237 -10.028 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.759 -17.388 -12.497 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.649 -15.953 -11.933 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.000 -15.781 -12.579 1.00 0.00 H new ATOM 974 N ASN A 66 -1.676 -16.591 -10.499 1.00 0.00 N ATOM 975 CA ASN A 66 -0.334 -17.162 -10.543 1.00 0.00 C ATOM 976 C ASN A 66 -0.160 -18.048 -11.772 1.00 0.00 C ATOM 977 O ASN A 66 0.210 -19.219 -11.677 1.00 0.00 O ATOM 978 CB ASN A 66 -0.060 -17.971 -9.273 1.00 0.00 C ATOM 979 CG ASN A 66 0.147 -17.087 -8.058 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.268 -16.932 -7.574 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.937 -16.504 -7.560 1.00 0.00 N ATOM 0 H ASN A 66 -1.701 -15.586 -10.326 1.00 0.00 H new ATOM 0 HA ASN A 66 0.381 -16.342 -10.605 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.895 -18.647 -9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.824 -18.590 -9.424 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.861 -15.898 -6.743 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.846 -16.662 -7.995 1.00 0.00 H new ATOM 988 N PRO A 67 -0.433 -17.479 -12.956 1.00 0.00 N ATOM 989 CA PRO A 67 -0.313 -18.199 -14.227 1.00 0.00 C ATOM 990 C PRO A 67 1.138 -18.493 -14.592 1.00 0.00 C ATOM 991 O PRO A 67 1.429 -19.467 -15.284 1.00 0.00 O ATOM 992 CB PRO A 67 -0.935 -17.236 -15.240 1.00 0.00 C ATOM 993 CG PRO A 67 -0.771 -15.886 -14.630 1.00 0.00 C ATOM 994 CD PRO A 67 -0.879 -16.089 -13.144 1.00 0.00 C ATOM 0 HA PRO A 67 -0.800 -19.174 -14.191 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.432 -17.298 -16.205 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.986 -17.467 -15.412 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.193 -15.452 -14.896 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.539 -15.200 -14.987 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.250 -15.388 -12.596 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.900 -15.944 -12.792 1.00 0.00 H new ATOM 1002 N GLY A 68 2.046 -17.643 -14.121 1.00 0.00 N ATOM 1003 CA GLY A 68 3.456 -17.830 -14.408 1.00 0.00 C ATOM 1004 C GLY A 68 4.002 -16.771 -15.345 1.00 0.00 C ATOM 1005 O GLY A 68 5.126 -16.885 -15.836 1.00 0.00 O ATOM 0 H GLY A 68 1.830 -16.829 -13.546 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.019 -17.811 -13.475 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.606 -18.815 -14.851 1.00 0.00 H new ATOM 1009 N LEU A 69 3.205 -15.738 -15.597 1.00 0.00 N ATOM 1010 CA LEU A 69 3.614 -14.654 -16.484 1.00 0.00 C ATOM 1011 C LEU A 69 4.065 -13.437 -15.684 1.00 0.00 C ATOM 1012 O LEU A 69 5.209 -12.998 -15.796 1.00 0.00 O ATOM 1013 CB LEU A 69 2.462 -14.269 -17.414 1.00 0.00 C ATOM 1014 CG LEU A 69 1.987 -15.355 -18.380 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.118 -15.779 -19.304 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.446 -16.552 -17.612 1.00 0.00 C ATOM 0 H LEU A 69 2.272 -15.628 -15.200 1.00 0.00 H new ATOM 0 HA LEU A 69 4.455 -15.004 -17.082 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.615 -13.960 -16.802 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.767 -13.400 -17.997 1.00 0.00 H new ATOM 0 HG LEU A 69 1.182 -14.946 -18.990 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.761 -16.552 -19.984 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.460 -14.919 -19.880 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.945 -16.170 -18.711 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.112 -17.315 -18.315 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.231 -16.962 -16.977 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.606 -16.237 -16.993 1.00 0.00 H new ATOM 1028 N MET A 70 3.159 -12.898 -14.874 1.00 0.00 N ATOM 1029 CA MET A 70 3.466 -11.733 -14.052 1.00 0.00 C ATOM 1030 C MET A 70 4.617 -12.030 -13.096 1.00 0.00 C ATOM 1031 O MET A 70 5.276 -11.118 -12.598 1.00 0.00 O ATOM 1032 CB MET A 70 2.230 -11.299 -13.263 1.00 0.00 C ATOM 1033 CG MET A 70 1.011 -11.043 -14.134 1.00 0.00 C ATOM 1034 SD MET A 70 0.618 -9.290 -14.281 1.00 0.00 S ATOM 1035 CE MET A 70 1.698 -8.811 -15.627 1.00 0.00 C ATOM 0 H MET A 70 2.207 -13.249 -14.769 1.00 0.00 H new ATOM 0 HA MET A 70 3.768 -10.922 -14.714 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.988 -12.069 -12.531 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.465 -10.392 -12.706 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.186 -11.457 -15.127 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.153 -11.570 -13.716 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.506 -7.772 -15.895 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.737 -8.919 -15.316 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.509 -9.450 -16.490 1.00 0.00 H new ATOM 1045 N LYS A 71 4.852 -13.313 -12.841 1.00 0.00 N ATOM 1046 CA LYS A 71 5.923 -13.732 -11.945 1.00 0.00 C ATOM 1047 C LYS A 71 7.241 -13.064 -12.323 1.00 0.00 C ATOM 1048 O LYS A 71 7.946 -12.531 -11.466 1.00 0.00 O ATOM 1049 CB LYS A 71 6.081 -15.254 -11.982 1.00 0.00 C ATOM 1050 CG LYS A 71 4.809 -16.006 -11.631 1.00 0.00 C ATOM 1051 CD LYS A 71 4.493 -15.906 -10.148 1.00 0.00 C ATOM 1052 CE LYS A 71 3.178 -15.180 -9.907 1.00 0.00 C ATOM 1053 NZ LYS A 71 3.182 -14.442 -8.614 1.00 0.00 N ATOM 0 H LYS A 71 4.314 -14.081 -13.243 1.00 0.00 H new ATOM 0 HA LYS A 71 5.657 -13.425 -10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.407 -15.553 -12.978 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.869 -15.546 -11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.977 -15.605 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.916 -17.054 -11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.442 -16.906 -9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.300 -15.380 -9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.994 -14.482 -10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.359 -15.900 -9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.269 -13.961 -8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.333 -15.112 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.947 -13.738 -8.619 1.00 0.00 H new ATOM 1067 N ASP A 72 7.567 -13.095 -13.610 1.00 0.00 N ATOM 1068 CA ASP A 72 8.800 -12.490 -14.102 1.00 0.00 C ATOM 1069 C ASP A 72 8.606 -11.000 -14.367 1.00 0.00 C ATOM 1070 O ASP A 72 9.551 -10.216 -14.284 1.00 0.00 O ATOM 1071 CB ASP A 72 9.264 -13.192 -15.379 1.00 0.00 C ATOM 1072 CG ASP A 72 9.699 -14.623 -15.128 1.00 0.00 C ATOM 1073 OD1 ASP A 72 9.547 -15.096 -13.982 1.00 0.00 O ATOM 1074 OD2 ASP A 72 10.193 -15.268 -16.076 1.00 0.00 O ATOM 0 H ASP A 72 6.995 -13.533 -14.332 1.00 0.00 H new ATOM 0 HA ASP A 72 9.565 -12.608 -13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.455 -13.184 -16.109 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.093 -12.635 -15.816 1.00 0.00 H new ATOM 1079 N VAL A 73 7.374 -10.617 -14.688 1.00 0.00 N ATOM 1080 CA VAL A 73 7.055 -9.222 -14.966 1.00 0.00 C ATOM 1081 C VAL A 73 7.203 -8.365 -13.714 1.00 0.00 C ATOM 1082 O VAL A 73 8.008 -7.434 -13.678 1.00 0.00 O ATOM 1083 CB VAL A 73 5.623 -9.071 -15.512 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.345 -7.624 -15.890 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.408 -9.992 -16.704 1.00 0.00 C ATOM 0 H VAL A 73 6.581 -11.254 -14.762 1.00 0.00 H new ATOM 0 HA VAL A 73 7.762 -8.881 -15.723 1.00 0.00 H new ATOM 0 HB VAL A 73 4.922 -9.358 -14.728 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.328 -7.537 -16.274 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.456 -6.990 -15.010 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.051 -7.306 -16.657 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.391 -9.873 -17.077 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.116 -9.738 -17.493 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.563 -11.026 -16.397 1.00 0.00 H new ATOM 1095 N ALA A 74 6.421 -8.685 -12.689 1.00 0.00 N ATOM 1096 CA ALA A 74 6.467 -7.946 -11.433 1.00 0.00 C ATOM 1097 C ALA A 74 7.890 -7.875 -10.890 1.00 0.00 C ATOM 1098 O ALA A 74 8.234 -6.962 -10.139 1.00 0.00 O ATOM 1099 CB ALA A 74 5.540 -8.586 -10.410 1.00 0.00 C ATOM 0 H ALA A 74 5.748 -9.451 -12.703 1.00 0.00 H new ATOM 0 HA ALA A 74 6.129 -6.928 -11.626 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.584 -8.024 -9.477 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.518 -8.579 -10.790 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.852 -9.615 -10.229 1.00 0.00 H new ATOM 1105 N LYS A 75 8.714 -8.844 -11.273 1.00 0.00 N ATOM 1106 CA LYS A 75 10.100 -8.892 -10.824 1.00 0.00 C ATOM 1107 C LYS A 75 10.883 -7.691 -11.346 1.00 0.00 C ATOM 1108 O LYS A 75 11.830 -7.230 -10.710 1.00 0.00 O ATOM 1109 CB LYS A 75 10.764 -10.189 -11.292 1.00 0.00 C ATOM 1110 CG LYS A 75 11.784 -9.985 -12.399 1.00 0.00 C ATOM 1111 CD LYS A 75 12.188 -11.305 -13.034 1.00 0.00 C ATOM 1112 CE LYS A 75 12.712 -12.286 -11.996 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.007 -12.894 -12.411 1.00 0.00 N ATOM 0 H LYS A 75 8.446 -9.607 -11.894 1.00 0.00 H new ATOM 0 HA LYS A 75 10.104 -8.861 -9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.253 -10.664 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.994 -10.876 -11.641 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.369 -9.326 -13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.667 -9.489 -11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.331 -11.740 -13.547 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.955 -11.128 -13.788 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.841 -11.772 -11.043 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.976 -13.074 -11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.331 -13.556 -11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.879 -13.406 -13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.717 -12.145 -12.539 1.00 0.00 H new ATOM 1127 N VAL A 76 10.479 -7.187 -12.509 1.00 0.00 N ATOM 1128 CA VAL A 76 11.141 -6.038 -13.115 1.00 0.00 C ATOM 1129 C VAL A 76 10.696 -4.737 -12.456 1.00 0.00 C ATOM 1130 O VAL A 76 11.331 -3.695 -12.623 1.00 0.00 O ATOM 1131 CB VAL A 76 10.855 -5.959 -14.626 1.00 0.00 C ATOM 1132 CG1 VAL A 76 11.859 -5.045 -15.312 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.877 -7.348 -15.245 1.00 0.00 C ATOM 0 H VAL A 76 9.697 -7.557 -13.049 1.00 0.00 H new ATOM 0 HA VAL A 76 12.212 -6.172 -12.962 1.00 0.00 H new ATOM 0 HB VAL A 76 9.860 -5.538 -14.769 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.641 -5.001 -16.379 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.790 -4.044 -14.886 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.866 -5.434 -15.163 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.673 -7.274 -16.313 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.858 -7.798 -15.093 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.116 -7.969 -14.773 1.00 0.00 H new ATOM 1143 N PHE A 77 9.601 -4.804 -11.706 1.00 0.00 N ATOM 1144 CA PHE A 77 9.069 -3.631 -11.022 1.00 0.00 C ATOM 1145 C PHE A 77 8.567 -3.996 -9.628 1.00 0.00 C ATOM 1146 O PHE A 77 7.484 -4.560 -9.477 1.00 0.00 O ATOM 1147 CB PHE A 77 7.936 -3.008 -11.839 1.00 0.00 C ATOM 1148 CG PHE A 77 7.980 -1.507 -11.877 1.00 0.00 C ATOM 1149 CD1 PHE A 77 9.122 -0.845 -12.297 1.00 0.00 C ATOM 1150 CD2 PHE A 77 6.879 -0.758 -11.494 1.00 0.00 C ATOM 1151 CE1 PHE A 77 9.166 0.536 -12.335 1.00 0.00 C ATOM 1152 CE2 PHE A 77 6.917 0.623 -11.530 1.00 0.00 C ATOM 1153 CZ PHE A 77 8.062 1.271 -11.949 1.00 0.00 C ATOM 0 H PHE A 77 9.065 -5.659 -11.556 1.00 0.00 H new ATOM 0 HA PHE A 77 9.875 -2.904 -10.920 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.981 -3.391 -12.859 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.981 -3.325 -11.421 1.00 0.00 H new ATOM 0 HD1 PHE A 77 9.989 -1.415 -12.598 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.981 -1.259 -11.164 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.062 1.040 -12.666 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.051 1.195 -11.230 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.094 2.350 -11.975 1.00 0.00 H new