USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=17 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 Single : A 4 MET CE :methyl -126:sc= -0.0442 (180deg=-0.505) USER MOD Single : A 9 LYS NZ :NH3+ -154:sc= -0.229 (180deg=-1.08) USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= 0.249 (180deg=0.146) USER MOD Single : A 20 SER OG : rot 46:sc= 0.0376 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 51:sc= -0.986 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -150:sc= -0.238 USER MOD Single : A 34 THR OG1 : rot -46:sc= 0.77 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc=-0.00576 F(o=-0.58,f=-0.0058) USER MOD Single : A 42 MET CE :methyl -152:sc= 0 (180deg=-0.0228) USER MOD Single : A 43 MET CE :methyl -150:sc= -3.62! (180deg=-5.43!) USER MOD Single : A 48 THR OG1 : rot -25:sc= 0.0591 USER MOD Single : A 57 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.061) USER MOD Single : A 61 SER OG : rot 81:sc= 0.134 USER MOD Single : A 63 CYS SG : rot 175:sc= 0 USER MOD Single : A 64 ASN : amide:sc=-0.00898 X(o=-0.009,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 70 MET CE :methyl 167:sc= -0.524 (180deg=-0.767) 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 3.387 -4.538 -4.945 1.00 0.00 N ATOM 24 CA ASP A 3 4.072 -4.624 -6.229 1.00 0.00 C ATOM 25 C ASP A 3 3.095 -4.413 -7.382 1.00 0.00 C ATOM 26 O ASP A 3 3.339 -3.604 -8.276 1.00 0.00 O ATOM 27 CB ASP A 3 4.765 -5.980 -6.373 1.00 0.00 C ATOM 28 CG ASP A 3 3.826 -7.140 -6.110 1.00 0.00 C ATOM 29 OD1 ASP A 3 3.401 -7.309 -4.948 1.00 0.00 O ATOM 30 OD2 ASP A 3 3.515 -7.880 -7.067 1.00 0.00 O ATOM 0 HA ASP A 3 4.824 -3.835 -6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.176 -6.070 -7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.604 -6.031 -5.680 1.00 0.00 H new ATOM 35 N MET A 4 1.988 -5.149 -7.354 1.00 0.00 N ATOM 36 CA MET A 4 0.974 -5.042 -8.396 1.00 0.00 C ATOM 37 C MET A 4 0.658 -3.581 -8.700 1.00 0.00 C ATOM 38 O MET A 4 0.508 -3.198 -9.860 1.00 0.00 O ATOM 39 CB MET A 4 -0.301 -5.774 -7.973 1.00 0.00 C ATOM 40 CG MET A 4 -0.089 -7.253 -7.695 1.00 0.00 C ATOM 41 SD MET A 4 -0.444 -8.288 -9.128 1.00 0.00 S ATOM 42 CE MET A 4 1.183 -8.418 -9.864 1.00 0.00 C ATOM 0 H MET A 4 1.771 -5.825 -6.622 1.00 0.00 H new ATOM 0 HA MET A 4 1.368 -5.506 -9.300 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.703 -5.299 -7.078 1.00 0.00 H new ATOM 0 HB3 MET A 4 -1.050 -5.664 -8.757 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.942 -7.415 -7.381 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.727 -7.558 -6.865 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.136 -8.109 -10.908 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.878 -7.774 -9.326 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.527 -9.451 -9.806 1.00 0.00 H new ATOM 52 N GLU A 5 0.558 -2.771 -7.651 1.00 0.00 N ATOM 53 CA GLU A 5 0.259 -1.352 -7.808 1.00 0.00 C ATOM 54 C GLU A 5 1.261 -0.686 -8.747 1.00 0.00 C ATOM 55 O GLU A 5 0.878 -0.005 -9.698 1.00 0.00 O ATOM 56 CB GLU A 5 0.274 -0.652 -6.448 1.00 0.00 C ATOM 57 CG GLU A 5 -0.722 0.491 -6.341 1.00 0.00 C ATOM 58 CD GLU A 5 -1.706 0.302 -5.202 1.00 0.00 C ATOM 59 OE1 GLU A 5 -1.291 -0.200 -4.137 1.00 0.00 O ATOM 60 OE2 GLU A 5 -2.891 0.655 -5.377 1.00 0.00 O ATOM 0 H GLU A 5 0.679 -3.072 -6.684 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.736 -1.262 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.059 -1.384 -5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.276 -0.269 -6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.182 1.427 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.270 0.580 -7.279 1.00 0.00 H new ATOM 67 N ARG A 6 2.545 -0.886 -8.471 1.00 0.00 N ATOM 68 CA ARG A 6 3.602 -0.303 -9.288 1.00 0.00 C ATOM 69 C ARG A 6 3.360 -0.582 -10.769 1.00 0.00 C ATOM 70 O ARG A 6 3.192 0.342 -11.565 1.00 0.00 O ATOM 71 CB ARG A 6 4.965 -0.858 -8.870 1.00 0.00 C ATOM 72 CG ARG A 6 5.366 -0.484 -7.452 1.00 0.00 C ATOM 73 CD ARG A 6 5.849 0.955 -7.371 1.00 0.00 C ATOM 74 NE ARG A 6 6.404 1.273 -6.059 1.00 0.00 N ATOM 75 CZ ARG A 6 7.013 2.420 -5.776 1.00 0.00 C ATOM 76 NH1 ARG A 6 7.144 3.352 -6.710 1.00 0.00 N ATOM 77 NH2 ARG A 6 7.493 2.635 -4.558 1.00 0.00 N ATOM 0 H ARG A 6 2.879 -1.448 -7.688 1.00 0.00 H new ATOM 0 HA ARG A 6 3.594 0.776 -9.132 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.948 -1.944 -8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.724 -0.493 -9.562 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.516 -0.622 -6.784 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.154 -1.153 -7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.606 1.127 -8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.019 1.628 -7.587 1.00 0.00 H new ATOM 0 HE ARG A 6 6.320 0.577 -5.319 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.777 3.189 -7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.612 4.232 -6.491 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.395 1.920 -3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.960 3.516 -4.342 1.00 0.00 H new ATOM 91 N ILE A 7 3.346 -1.861 -11.130 1.00 0.00 N ATOM 92 CA ILE A 7 3.124 -2.261 -12.514 1.00 0.00 C ATOM 93 C ILE A 7 1.806 -1.706 -13.042 1.00 0.00 C ATOM 94 O ILE A 7 1.749 -1.147 -14.138 1.00 0.00 O ATOM 95 CB ILE A 7 3.120 -3.794 -12.663 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.346 -4.398 -11.976 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.084 -4.182 -14.134 1.00 0.00 C ATOM 98 CD1 ILE A 7 4.036 -5.034 -10.639 1.00 0.00 C ATOM 0 H ILE A 7 3.486 -2.637 -10.483 1.00 0.00 H new ATOM 0 HA ILE A 7 3.948 -1.850 -13.098 1.00 0.00 H new ATOM 0 HB ILE A 7 2.226 -4.190 -12.181 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.788 -5.148 -12.632 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.094 -3.618 -11.834 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.082 -5.268 -14.224 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.183 -3.778 -14.595 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.962 -3.778 -14.638 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.951 -5.442 -10.209 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.622 -4.283 -9.966 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.311 -5.836 -10.777 1.00 0.00 H new ATOM 110 N PHE A 8 0.746 -1.862 -12.255 1.00 0.00 N ATOM 111 CA PHE A 8 -0.573 -1.376 -12.643 1.00 0.00 C ATOM 112 C PHE A 8 -0.515 0.097 -13.035 1.00 0.00 C ATOM 113 O PHE A 8 -1.150 0.519 -14.002 1.00 0.00 O ATOM 114 CB PHE A 8 -1.569 -1.572 -11.498 1.00 0.00 C ATOM 115 CG PHE A 8 -2.923 -0.984 -11.774 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.872 -1.700 -12.486 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.246 0.285 -11.322 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.119 -1.162 -12.741 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.492 0.828 -11.574 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.429 0.105 -12.286 1.00 0.00 C ATOM 0 H PHE A 8 0.775 -2.321 -11.345 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.906 -1.951 -13.507 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.678 -2.638 -11.301 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.163 -1.120 -10.593 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.634 -2.690 -12.846 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.517 0.856 -10.767 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.850 -1.731 -13.295 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.733 1.817 -11.214 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.402 0.529 -12.487 1.00 0.00 H new ATOM 130 N LYS A 9 0.249 0.876 -12.277 1.00 0.00 N ATOM 131 CA LYS A 9 0.391 2.302 -12.544 1.00 0.00 C ATOM 132 C LYS A 9 1.382 2.548 -13.677 1.00 0.00 C ATOM 133 O LYS A 9 1.377 3.609 -14.300 1.00 0.00 O ATOM 134 CB LYS A 9 0.852 3.035 -11.282 1.00 0.00 C ATOM 135 CG LYS A 9 -0.082 2.854 -10.098 1.00 0.00 C ATOM 136 CD LYS A 9 0.688 2.723 -8.795 1.00 0.00 C ATOM 137 CE LYS A 9 1.213 4.070 -8.321 1.00 0.00 C ATOM 138 NZ LYS A 9 2.440 4.478 -9.061 1.00 0.00 N ATOM 0 H LYS A 9 0.780 0.543 -11.472 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.583 2.688 -12.846 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.845 2.680 -11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.943 4.099 -11.503 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.761 3.704 -10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.696 1.966 -10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.041 2.294 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.521 2.034 -8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.441 4.828 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.432 4.020 -7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.006 5.119 -8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.002 3.634 -9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.170 4.966 -9.939 1.00 0.00 H new ATOM 152 N ARG A 10 2.231 1.559 -13.940 1.00 0.00 N ATOM 153 CA ARG A 10 3.227 1.668 -14.998 1.00 0.00 C ATOM 154 C ARG A 10 2.571 2.028 -16.328 1.00 0.00 C ATOM 155 O ARG A 10 2.983 2.973 -17.000 1.00 0.00 O ATOM 156 CB ARG A 10 4.000 0.355 -15.138 1.00 0.00 C ATOM 157 CG ARG A 10 5.390 0.527 -15.729 1.00 0.00 C ATOM 158 CD ARG A 10 5.776 -0.660 -16.598 1.00 0.00 C ATOM 159 NE ARG A 10 6.336 -0.241 -17.880 1.00 0.00 N ATOM 160 CZ ARG A 10 7.533 0.319 -18.011 1.00 0.00 C ATOM 161 NH1 ARG A 10 8.292 0.526 -16.944 1.00 0.00 N ATOM 162 NH2 ARG A 10 7.973 0.673 -19.212 1.00 0.00 N ATOM 0 H ARG A 10 2.248 0.673 -13.434 1.00 0.00 H new ATOM 0 HA ARG A 10 3.921 2.464 -14.728 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.087 -0.112 -14.157 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.429 -0.328 -15.767 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.424 1.440 -16.323 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.117 0.642 -14.925 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.503 -1.275 -16.069 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.898 -1.282 -16.772 1.00 0.00 H new ATOM 0 HE ARG A 10 5.777 -0.386 -18.721 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.957 0.255 -16.019 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.211 0.956 -17.048 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.392 0.515 -20.035 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.892 1.103 -19.312 1.00 0.00 H new ATOM 176 N PHE A 11 1.547 1.268 -16.701 1.00 0.00 N ATOM 177 CA PHE A 11 0.834 1.506 -17.951 1.00 0.00 C ATOM 178 C PHE A 11 -0.217 2.599 -17.778 1.00 0.00 C ATOM 179 O PHE A 11 -0.849 3.025 -18.745 1.00 0.00 O ATOM 180 CB PHE A 11 0.169 0.216 -18.437 1.00 0.00 C ATOM 181 CG PHE A 11 1.099 -0.963 -18.469 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.451 -0.788 -18.718 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.622 -2.245 -18.251 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.309 -1.871 -18.749 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.476 -3.332 -18.281 1.00 0.00 C ATOM 186 CZ PHE A 11 2.821 -3.144 -18.529 1.00 0.00 C ATOM 0 H PHE A 11 1.192 0.482 -16.156 1.00 0.00 H new ATOM 0 HA PHE A 11 1.558 1.837 -18.696 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.675 -0.015 -17.787 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.233 0.379 -19.437 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.838 0.205 -18.890 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.429 -2.397 -18.055 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.361 -1.722 -18.945 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.091 -4.327 -18.111 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.491 -3.991 -18.551 1.00 0.00 H new ATOM 196 N ASP A 12 -0.398 3.047 -16.541 1.00 0.00 N ATOM 197 CA ASP A 12 -1.371 4.091 -16.240 1.00 0.00 C ATOM 198 C ASP A 12 -0.853 5.458 -16.677 1.00 0.00 C ATOM 199 O ASP A 12 -0.557 6.316 -15.845 1.00 0.00 O ATOM 200 CB ASP A 12 -1.689 4.106 -14.744 1.00 0.00 C ATOM 201 CG ASP A 12 -2.932 4.913 -14.425 1.00 0.00 C ATOM 202 OD1 ASP A 12 -3.521 5.490 -15.362 1.00 0.00 O ATOM 203 OD2 ASP A 12 -3.314 4.968 -13.237 1.00 0.00 O ATOM 0 H ASP A 12 0.116 2.704 -15.730 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.284 3.874 -16.795 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.824 3.083 -14.394 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.841 4.520 -14.199 1.00 0.00 H new ATOM 262 N LYS A 18 -8.000 2.213 -15.114 1.00 0.00 N ATOM 263 CA LYS A 18 -7.742 0.970 -15.830 1.00 0.00 C ATOM 264 C LYS A 18 -6.521 1.106 -16.734 1.00 0.00 C ATOM 265 O LYS A 18 -6.012 2.208 -16.942 1.00 0.00 O ATOM 266 CB LYS A 18 -8.964 0.572 -16.661 1.00 0.00 C ATOM 267 CG LYS A 18 -10.158 0.149 -15.824 1.00 0.00 C ATOM 268 CD LYS A 18 -11.234 -0.502 -16.676 1.00 0.00 C ATOM 269 CE LYS A 18 -11.778 0.461 -17.720 1.00 0.00 C ATOM 270 NZ LYS A 18 -12.802 -0.183 -18.589 1.00 0.00 N ATOM 0 HA LYS A 18 -7.542 0.191 -15.094 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.253 1.412 -17.292 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.689 -0.246 -17.326 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.833 -0.548 -15.051 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.573 1.019 -15.315 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.824 -1.383 -17.171 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.048 -0.845 -16.037 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.216 1.326 -17.223 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.958 0.829 -18.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.360 0.551 -19.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.330 -0.780 -19.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.432 -0.771 -18.006 1.00 0.00 H new ATOM 284 N ILE A 19 -6.058 -0.018 -17.269 1.00 0.00 N ATOM 285 CA ILE A 19 -4.899 -0.022 -18.153 1.00 0.00 C ATOM 286 C ILE A 19 -5.116 -0.956 -19.339 1.00 0.00 C ATOM 287 O ILE A 19 -5.628 -2.064 -19.185 1.00 0.00 O ATOM 288 CB ILE A 19 -3.622 -0.449 -17.405 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.815 -1.826 -16.767 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.257 0.584 -16.349 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.597 -2.320 -16.017 1.00 0.00 C ATOM 0 H ILE A 19 -6.467 -0.938 -17.106 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.774 0.999 -18.515 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.803 -0.513 -18.121 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.662 -1.785 -16.082 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.069 -2.546 -17.545 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.353 0.269 -15.829 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.083 1.548 -16.828 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.074 0.677 -15.633 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.805 -3.301 -15.591 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.753 -2.394 -16.703 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.354 -1.621 -15.217 1.00 0.00 H new ATOM 303 N SER A 20 -4.720 -0.500 -20.524 1.00 0.00 N ATOM 304 CA SER A 20 -4.873 -1.294 -21.738 1.00 0.00 C ATOM 305 C SER A 20 -4.208 -2.658 -21.582 1.00 0.00 C ATOM 306 O SER A 20 -3.010 -2.751 -21.309 1.00 0.00 O ATOM 307 CB SER A 20 -4.271 -0.555 -22.934 1.00 0.00 C ATOM 308 OG SER A 20 -4.951 -0.886 -24.133 1.00 0.00 O ATOM 0 H SER A 20 -4.291 0.414 -20.669 1.00 0.00 H new ATOM 0 HA SER A 20 -5.938 -1.446 -21.912 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.326 0.521 -22.766 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.215 -0.809 -23.029 1.00 0.00 H new ATOM 0 HG SER A 20 -5.918 -0.848 -23.981 1.00 0.00 H new ATOM 314 N LEU A 21 -4.994 -3.715 -21.756 1.00 0.00 N ATOM 315 CA LEU A 21 -4.483 -5.076 -21.635 1.00 0.00 C ATOM 316 C LEU A 21 -3.886 -5.553 -22.955 1.00 0.00 C ATOM 317 O LEU A 21 -3.147 -6.537 -22.995 1.00 0.00 O ATOM 318 CB LEU A 21 -5.601 -6.024 -21.196 1.00 0.00 C ATOM 319 CG LEU A 21 -6.979 -5.764 -21.805 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.917 -5.849 -23.322 1.00 0.00 C ATOM 321 CD2 LEU A 21 -7.999 -6.750 -21.255 1.00 0.00 C ATOM 0 H LEU A 21 -5.987 -3.656 -21.981 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.696 -5.077 -20.880 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.303 -7.043 -21.442 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.690 -5.971 -20.111 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.292 -4.757 -21.531 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.907 -5.661 -23.738 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.217 -5.103 -23.700 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.582 -6.843 -23.617 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.974 -6.550 -21.699 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.690 -7.767 -21.499 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.064 -6.640 -20.172 1.00 0.00 H new ATOM 333 N SER A 22 -4.210 -4.848 -24.034 1.00 0.00 N ATOM 334 CA SER A 22 -3.707 -5.200 -25.357 1.00 0.00 C ATOM 335 C SER A 22 -2.296 -4.657 -25.564 1.00 0.00 C ATOM 336 O SER A 22 -1.419 -5.357 -26.070 1.00 0.00 O ATOM 337 CB SER A 22 -4.638 -4.656 -26.442 1.00 0.00 C ATOM 338 OG SER A 22 -5.734 -5.528 -26.657 1.00 0.00 O ATOM 0 H SER A 22 -4.819 -4.030 -24.018 1.00 0.00 H new ATOM 0 HA SER A 22 -3.674 -6.287 -25.428 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.004 -3.671 -26.151 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.083 -4.528 -27.371 1.00 0.00 H new ATOM 0 HG SER A 22 -6.315 -5.157 -27.354 1.00 0.00 H new ATOM 344 N GLU A 23 -2.086 -3.406 -25.168 1.00 0.00 N ATOM 345 CA GLU A 23 -0.782 -2.769 -25.310 1.00 0.00 C ATOM 346 C GLU A 23 0.238 -3.400 -24.368 1.00 0.00 C ATOM 347 O GLU A 23 1.442 -3.371 -24.627 1.00 0.00 O ATOM 348 CB GLU A 23 -0.889 -1.268 -25.032 1.00 0.00 C ATOM 349 CG GLU A 23 -1.881 -0.551 -25.933 1.00 0.00 C ATOM 350 CD GLU A 23 -1.922 0.944 -25.682 1.00 0.00 C ATOM 351 OE1 GLU A 23 -1.642 1.361 -24.539 1.00 0.00 O ATOM 352 OE2 GLU A 23 -2.233 1.696 -26.629 1.00 0.00 O ATOM 0 H GLU A 23 -2.801 -2.814 -24.747 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.444 -2.918 -26.336 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.182 -1.120 -23.993 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.094 -0.813 -25.154 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.618 -0.734 -26.975 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.876 -0.969 -25.778 1.00 0.00 H new ATOM 359 N LEU A 24 -0.251 -3.970 -23.272 1.00 0.00 N ATOM 360 CA LEU A 24 0.617 -4.609 -22.289 1.00 0.00 C ATOM 361 C LEU A 24 1.382 -5.772 -22.912 1.00 0.00 C ATOM 362 O LEU A 24 2.612 -5.763 -22.967 1.00 0.00 O ATOM 363 CB LEU A 24 -0.206 -5.105 -21.099 1.00 0.00 C ATOM 364 CG LEU A 24 0.460 -6.160 -20.215 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.170 -7.557 -20.740 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.960 -5.918 -20.135 1.00 0.00 C ATOM 0 H LEU A 24 -1.244 -4.003 -23.042 1.00 0.00 H new ATOM 0 HA LEU A 24 1.338 -3.869 -21.942 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.461 -4.247 -20.477 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.143 -5.515 -21.476 1.00 0.00 H new ATOM 0 HG LEU A 24 0.045 -6.079 -19.210 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.652 -8.294 -20.098 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.906 -7.728 -20.744 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.556 -7.652 -21.755 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.418 -6.678 -19.502 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.391 -5.971 -21.135 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.147 -4.932 -19.711 1.00 0.00 H new ATOM 378 N THR A 25 0.645 -6.773 -23.384 1.00 0.00 N ATOM 379 CA THR A 25 1.254 -7.943 -24.004 1.00 0.00 C ATOM 380 C THR A 25 2.201 -7.539 -25.129 1.00 0.00 C ATOM 381 O THR A 25 3.241 -8.165 -25.332 1.00 0.00 O ATOM 382 CB THR A 25 0.186 -8.900 -24.567 1.00 0.00 C ATOM 383 OG1 THR A 25 0.800 -9.871 -25.422 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.874 -8.132 -25.343 1.00 0.00 C ATOM 0 H THR A 25 -0.374 -6.797 -23.349 1.00 0.00 H new ATOM 0 HA THR A 25 1.817 -8.456 -23.225 1.00 0.00 H new ATOM 0 HB THR A 25 -0.294 -9.406 -23.729 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.556 -10.285 -24.956 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.617 -8.829 -25.731 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.360 -7.414 -24.682 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.405 -7.602 -26.172 1.00 0.00 H new ATOM 392 N ASP A 26 1.835 -6.490 -25.856 1.00 0.00 N ATOM 393 CA ASP A 26 2.654 -6.001 -26.959 1.00 0.00 C ATOM 394 C ASP A 26 3.825 -5.172 -26.441 1.00 0.00 C ATOM 395 O ASP A 26 4.821 -4.984 -27.138 1.00 0.00 O ATOM 396 CB ASP A 26 1.806 -5.164 -27.919 1.00 0.00 C ATOM 397 CG ASP A 26 2.356 -5.170 -29.332 1.00 0.00 C ATOM 398 OD1 ASP A 26 2.893 -6.216 -29.755 1.00 0.00 O ATOM 399 OD2 ASP A 26 2.251 -4.130 -30.015 1.00 0.00 O ATOM 0 H ASP A 26 0.976 -5.961 -25.702 1.00 0.00 H new ATOM 0 HA ASP A 26 3.052 -6.863 -27.494 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.786 -5.548 -27.928 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.757 -4.138 -27.556 1.00 0.00 H new ATOM 404 N ALA A 27 3.697 -4.678 -25.214 1.00 0.00 N ATOM 405 CA ALA A 27 4.745 -3.871 -24.602 1.00 0.00 C ATOM 406 C ALA A 27 5.770 -4.748 -23.892 1.00 0.00 C ATOM 407 O ALA A 27 6.959 -4.428 -23.859 1.00 0.00 O ATOM 408 CB ALA A 27 4.139 -2.870 -23.628 1.00 0.00 C ATOM 0 H ALA A 27 2.878 -4.823 -24.624 1.00 0.00 H new ATOM 0 HA ALA A 27 5.259 -3.326 -25.394 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.933 -2.274 -23.178 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.451 -2.214 -24.161 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.599 -3.404 -22.846 1.00 0.00 H new ATOM 414 N LEU A 28 5.303 -5.855 -23.325 1.00 0.00 N ATOM 415 CA LEU A 28 6.180 -6.779 -22.615 1.00 0.00 C ATOM 416 C LEU A 28 7.374 -7.171 -23.480 1.00 0.00 C ATOM 417 O LEU A 28 8.428 -7.548 -22.967 1.00 0.00 O ATOM 418 CB LEU A 28 5.405 -8.031 -22.198 1.00 0.00 C ATOM 419 CG LEU A 28 4.826 -8.021 -20.783 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.923 -9.226 -20.568 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.942 -7.997 -19.750 1.00 0.00 C ATOM 0 H LEU A 28 4.322 -6.134 -23.343 1.00 0.00 H new ATOM 0 HA LEU A 28 6.551 -6.275 -21.723 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.587 -8.179 -22.903 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.067 -8.892 -22.292 1.00 0.00 H new ATOM 0 HG LEU A 28 4.228 -7.118 -20.662 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.520 -9.202 -19.556 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.103 -9.199 -21.286 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.498 -10.141 -20.708 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.511 -7.990 -18.749 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.568 -8.882 -19.870 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.548 -7.102 -19.890 1.00 0.00 H new ATOM 433 N ARG A 29 7.201 -7.078 -24.795 1.00 0.00 N ATOM 434 CA ARG A 29 8.265 -7.422 -25.731 1.00 0.00 C ATOM 435 C ARG A 29 9.503 -6.564 -25.486 1.00 0.00 C ATOM 436 O ARG A 29 10.633 -7.016 -25.677 1.00 0.00 O ATOM 437 CB ARG A 29 7.783 -7.241 -27.172 1.00 0.00 C ATOM 438 CG ARG A 29 7.683 -5.787 -27.603 1.00 0.00 C ATOM 439 CD ARG A 29 7.057 -5.657 -28.982 1.00 0.00 C ATOM 440 NE ARG A 29 8.020 -5.196 -29.979 1.00 0.00 N ATOM 441 CZ ARG A 29 8.841 -6.007 -30.638 1.00 0.00 C ATOM 442 NH1 ARG A 29 8.815 -7.312 -30.407 1.00 0.00 N ATOM 443 NH2 ARG A 29 9.689 -5.513 -31.530 1.00 0.00 N ATOM 0 H ARG A 29 6.335 -6.768 -25.236 1.00 0.00 H new ATOM 0 HA ARG A 29 8.531 -8.467 -25.572 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.465 -7.764 -27.843 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.806 -7.711 -27.281 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.088 -5.232 -26.878 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.677 -5.339 -27.610 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.652 -6.621 -29.288 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.221 -4.960 -28.936 1.00 0.00 H new ATOM 0 HE ARG A 29 8.065 -4.197 -30.180 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.164 -7.696 -29.722 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.446 -7.932 -30.914 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.712 -4.509 -31.711 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.319 -6.137 -32.035 1.00 0.00 H new ATOM 457 N THR A 30 9.283 -5.323 -25.063 1.00 0.00 N ATOM 458 CA THR A 30 10.380 -4.402 -24.793 1.00 0.00 C ATOM 459 C THR A 30 10.987 -4.656 -23.419 1.00 0.00 C ATOM 460 O THR A 30 12.159 -4.362 -23.182 1.00 0.00 O ATOM 461 CB THR A 30 9.914 -2.936 -24.873 1.00 0.00 C ATOM 462 OG1 THR A 30 11.021 -2.087 -25.196 1.00 0.00 O ATOM 463 CG2 THR A 30 9.295 -2.492 -23.556 1.00 0.00 C ATOM 0 H THR A 30 8.355 -4.933 -24.900 1.00 0.00 H new ATOM 0 HA THR A 30 11.136 -4.578 -25.558 1.00 0.00 H new ATOM 0 HB THR A 30 9.158 -2.860 -25.655 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.716 -1.157 -25.246 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.974 -1.454 -23.637 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.435 -3.121 -23.328 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.033 -2.582 -22.759 1.00 0.00 H new ATOM 471 N LEU A 31 10.183 -5.205 -22.515 1.00 0.00 N ATOM 472 CA LEU A 31 10.642 -5.501 -21.162 1.00 0.00 C ATOM 473 C LEU A 31 11.560 -6.718 -21.152 1.00 0.00 C ATOM 474 O LEU A 31 12.157 -7.050 -20.129 1.00 0.00 O ATOM 475 CB LEU A 31 9.446 -5.741 -20.238 1.00 0.00 C ATOM 476 CG LEU A 31 8.995 -4.545 -19.399 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.111 -4.093 -18.470 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.550 -3.401 -20.298 1.00 0.00 C ATOM 0 H LEU A 31 9.210 -5.454 -22.694 1.00 0.00 H new ATOM 0 HA LEU A 31 11.206 -4.642 -20.800 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.604 -6.071 -20.846 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.693 -6.560 -19.563 1.00 0.00 H new ATOM 0 HG LEU A 31 8.146 -4.853 -18.789 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.771 -3.241 -17.881 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.382 -4.911 -17.802 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.980 -3.803 -19.060 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.232 -2.558 -19.684 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.380 -3.094 -20.934 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.718 -3.730 -20.921 1.00 0.00 H new ATOM 490 N GLY A 32 11.669 -7.380 -22.300 1.00 0.00 N ATOM 491 CA GLY A 32 12.518 -8.553 -22.402 1.00 0.00 C ATOM 492 C GLY A 32 11.762 -9.841 -22.141 1.00 0.00 C ATOM 493 O GLY A 32 12.358 -10.915 -22.072 1.00 0.00 O ATOM 0 H GLY A 32 11.185 -7.125 -23.161 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.962 -8.591 -23.397 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.339 -8.467 -21.690 1.00 0.00 H new ATOM 497 N SER A 33 10.446 -9.733 -21.993 1.00 0.00 N ATOM 498 CA SER A 33 9.608 -10.897 -21.733 1.00 0.00 C ATOM 499 C SER A 33 9.547 -11.808 -22.955 1.00 0.00 C ATOM 500 O SER A 33 9.318 -11.350 -24.075 1.00 0.00 O ATOM 501 CB SER A 33 8.196 -10.458 -21.339 1.00 0.00 C ATOM 502 OG SER A 33 7.871 -10.896 -20.031 1.00 0.00 O ATOM 0 H SER A 33 9.937 -8.851 -22.049 1.00 0.00 H new ATOM 0 HA SER A 33 10.051 -11.455 -20.908 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.122 -9.372 -21.391 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.475 -10.861 -22.050 1.00 0.00 H new ATOM 0 HG SER A 33 6.905 -11.046 -19.967 1.00 0.00 H new ATOM 508 N THR A 34 9.755 -13.102 -22.732 1.00 0.00 N ATOM 509 CA THR A 34 9.725 -14.078 -23.814 1.00 0.00 C ATOM 510 C THR A 34 8.407 -14.844 -23.828 1.00 0.00 C ATOM 511 O THR A 34 8.326 -15.950 -24.363 1.00 0.00 O ATOM 512 CB THR A 34 10.888 -15.082 -23.697 1.00 0.00 C ATOM 513 OG1 THR A 34 10.961 -15.887 -24.879 1.00 0.00 O ATOM 514 CG2 THR A 34 10.710 -15.976 -22.478 1.00 0.00 C ATOM 0 H THR A 34 9.946 -13.498 -21.812 1.00 0.00 H new ATOM 0 HA THR A 34 9.828 -13.521 -24.745 1.00 0.00 H new ATOM 0 HB THR A 34 11.815 -14.520 -23.583 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.063 -16.197 -25.119 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.543 -16.677 -22.416 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.684 -15.362 -21.577 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.776 -16.530 -22.567 1.00 0.00 H new ATOM 522 N SER A 35 7.376 -14.249 -23.237 1.00 0.00 N ATOM 523 CA SER A 35 6.061 -14.877 -23.180 1.00 0.00 C ATOM 524 C SER A 35 4.973 -13.901 -23.616 1.00 0.00 C ATOM 525 O SER A 35 3.796 -14.089 -23.310 1.00 0.00 O ATOM 526 CB SER A 35 5.774 -15.378 -21.763 1.00 0.00 C ATOM 527 OG SER A 35 6.657 -16.427 -21.404 1.00 0.00 O ATOM 0 H SER A 35 7.426 -13.333 -22.791 1.00 0.00 H new ATOM 0 HA SER A 35 6.060 -15.724 -23.866 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.875 -14.555 -21.055 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.744 -15.728 -21.699 1.00 0.00 H new ATOM 0 HG SER A 35 6.454 -16.728 -20.494 1.00 0.00 H new ATOM 533 N ALA A 36 5.376 -12.857 -24.334 1.00 0.00 N ATOM 534 CA ALA A 36 4.437 -11.852 -24.815 1.00 0.00 C ATOM 535 C ALA A 36 3.289 -12.497 -25.585 1.00 0.00 C ATOM 536 O ALA A 36 2.189 -11.948 -25.654 1.00 0.00 O ATOM 537 CB ALA A 36 5.154 -10.834 -25.689 1.00 0.00 C ATOM 0 H ALA A 36 6.347 -12.686 -24.595 1.00 0.00 H new ATOM 0 HA ALA A 36 4.017 -11.340 -23.949 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.440 -10.090 -26.041 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.935 -10.342 -25.109 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.602 -11.340 -26.544 1.00 0.00 H new ATOM 543 N ASP A 37 3.552 -13.665 -26.162 1.00 0.00 N ATOM 544 CA ASP A 37 2.541 -14.385 -26.926 1.00 0.00 C ATOM 545 C ASP A 37 1.625 -15.181 -26.002 1.00 0.00 C ATOM 546 O ASP A 37 0.449 -15.385 -26.302 1.00 0.00 O ATOM 547 CB ASP A 37 3.205 -15.321 -27.937 1.00 0.00 C ATOM 548 CG ASP A 37 4.467 -14.728 -28.532 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.359 -13.974 -29.522 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.562 -15.018 -28.008 1.00 0.00 O ATOM 0 H ASP A 37 4.457 -14.133 -26.115 1.00 0.00 H new ATOM 0 HA ASP A 37 1.938 -13.653 -27.463 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.446 -16.266 -27.450 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.500 -15.546 -28.737 1.00 0.00 H new ATOM 555 N GLU A 38 2.174 -15.630 -24.877 1.00 0.00 N ATOM 556 CA GLU A 38 1.407 -16.406 -23.910 1.00 0.00 C ATOM 557 C GLU A 38 0.598 -15.490 -22.996 1.00 0.00 C ATOM 558 O GLU A 38 -0.480 -15.855 -22.528 1.00 0.00 O ATOM 559 CB GLU A 38 2.338 -17.286 -23.074 1.00 0.00 C ATOM 560 CG GLU A 38 1.613 -18.360 -22.281 1.00 0.00 C ATOM 561 CD GLU A 38 2.457 -19.602 -22.073 1.00 0.00 C ATOM 562 OE1 GLU A 38 3.685 -19.461 -21.898 1.00 0.00 O ATOM 563 OE2 GLU A 38 1.890 -20.714 -22.084 1.00 0.00 O ATOM 0 H GLU A 38 3.146 -15.470 -24.613 1.00 0.00 H new ATOM 0 HA GLU A 38 0.716 -17.043 -24.461 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.064 -17.761 -23.734 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.899 -16.655 -22.385 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.322 -17.956 -21.311 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.695 -18.632 -22.801 1.00 0.00 H new ATOM 570 N VAL A 39 1.129 -14.297 -22.744 1.00 0.00 N ATOM 571 CA VAL A 39 0.458 -13.328 -21.886 1.00 0.00 C ATOM 572 C VAL A 39 -0.763 -12.734 -22.579 1.00 0.00 C ATOM 573 O VAL A 39 -1.757 -12.406 -21.931 1.00 0.00 O ATOM 574 CB VAL A 39 1.409 -12.187 -21.478 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.795 -11.354 -22.691 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.768 -11.318 -20.407 1.00 0.00 C ATOM 0 H VAL A 39 2.021 -13.979 -23.122 1.00 0.00 H new ATOM 0 HA VAL A 39 0.140 -13.863 -20.991 1.00 0.00 H new ATOM 0 HB VAL A 39 2.317 -12.625 -21.064 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.467 -10.553 -22.383 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.297 -11.987 -23.423 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.898 -10.924 -23.137 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.453 -10.517 -20.130 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.156 -10.888 -20.793 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.547 -11.926 -19.530 1.00 0.00 H new ATOM 586 N GLN A 40 -0.681 -12.599 -23.898 1.00 0.00 N ATOM 587 CA GLN A 40 -1.781 -12.044 -24.679 1.00 0.00 C ATOM 588 C GLN A 40 -3.048 -12.874 -24.502 1.00 0.00 C ATOM 589 O GLN A 40 -4.151 -12.333 -24.425 1.00 0.00 O ATOM 590 CB GLN A 40 -1.402 -11.980 -26.160 1.00 0.00 C ATOM 591 CG GLN A 40 -2.594 -12.080 -27.098 1.00 0.00 C ATOM 592 CD GLN A 40 -2.189 -12.066 -28.559 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.145 -12.816 -28.892 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.808 -11.388 -29.379 1.00 0.00 N flip ATOM 0 H GLN A 40 0.135 -12.866 -24.449 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.976 -11.035 -24.317 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.877 -11.044 -26.352 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.706 -12.788 -26.383 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.143 -12.998 -26.886 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.274 -11.250 -26.905 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.605 -10.826 -29.079 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.524 -11.388 -30.359 1.00 0.00 H new ATOM 603 N ARG A 41 -2.882 -14.191 -24.437 1.00 0.00 N ATOM 604 CA ARG A 41 -4.012 -15.096 -24.271 1.00 0.00 C ATOM 605 C ARG A 41 -4.392 -15.227 -22.798 1.00 0.00 C ATOM 606 O ARG A 41 -5.512 -15.616 -22.468 1.00 0.00 O ATOM 607 CB ARG A 41 -3.679 -16.474 -24.846 1.00 0.00 C ATOM 608 CG ARG A 41 -2.412 -17.084 -24.271 1.00 0.00 C ATOM 609 CD ARG A 41 -2.102 -18.430 -24.908 1.00 0.00 C ATOM 610 NE ARG A 41 -2.910 -19.505 -24.339 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.714 -20.791 -24.605 1.00 0.00 C ATOM 612 NH1 ARG A 41 -1.741 -21.161 -25.426 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.492 -21.711 -24.048 1.00 0.00 N ATOM 0 H ARG A 41 -1.975 -14.655 -24.497 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.861 -14.679 -24.813 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.514 -17.148 -24.658 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.574 -16.391 -25.928 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.575 -16.404 -24.430 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.523 -17.207 -23.194 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.280 -18.372 -25.982 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.045 -18.660 -24.772 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.666 -19.254 -23.702 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.141 -20.457 -25.855 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.593 -22.150 -25.628 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.241 -21.430 -23.415 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.341 -22.699 -24.253 1.00 0.00 H new ATOM 627 N MET A 42 -3.451 -14.899 -21.919 1.00 0.00 N ATOM 628 CA MET A 42 -3.688 -14.979 -20.482 1.00 0.00 C ATOM 629 C MET A 42 -4.474 -13.766 -19.992 1.00 0.00 C ATOM 630 O MET A 42 -5.449 -13.904 -19.254 1.00 0.00 O ATOM 631 CB MET A 42 -2.360 -15.078 -19.730 1.00 0.00 C ATOM 632 CG MET A 42 -1.622 -16.386 -19.968 1.00 0.00 C ATOM 633 SD MET A 42 -2.055 -17.657 -18.764 1.00 0.00 S ATOM 634 CE MET A 42 -3.113 -18.712 -19.751 1.00 0.00 C ATOM 0 H MET A 42 -2.518 -14.576 -22.176 1.00 0.00 H new ATOM 0 HA MET A 42 -4.277 -15.875 -20.285 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.719 -14.249 -20.030 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.547 -14.965 -18.662 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.848 -16.749 -20.971 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.548 -16.205 -19.929 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.831 -19.216 -19.103 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.647 -18.108 -20.484 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.506 -19.456 -20.267 1.00 0.00 H new ATOM 644 N MET A 43 -4.042 -12.580 -20.407 1.00 0.00 N ATOM 645 CA MET A 43 -4.706 -11.344 -20.011 1.00 0.00 C ATOM 646 C MET A 43 -6.189 -11.386 -20.364 1.00 0.00 C ATOM 647 O MET A 43 -7.004 -10.699 -19.749 1.00 0.00 O ATOM 648 CB MET A 43 -4.042 -10.143 -20.688 1.00 0.00 C ATOM 649 CG MET A 43 -3.855 -10.317 -22.186 1.00 0.00 C ATOM 650 SD MET A 43 -4.878 -9.189 -23.150 1.00 0.00 S ATOM 651 CE MET A 43 -4.107 -9.326 -24.761 1.00 0.00 C ATOM 0 H MET A 43 -3.235 -12.449 -21.017 1.00 0.00 H new ATOM 0 HA MET A 43 -4.611 -11.241 -18.930 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.646 -9.254 -20.506 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.070 -9.968 -20.227 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.807 -10.156 -22.438 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.095 -11.344 -22.461 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.222 -8.386 -25.301 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.047 -9.547 -24.639 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.582 -10.129 -25.325 1.00 0.00 H new ATOM 661 N ALA A 44 -6.533 -12.197 -21.360 1.00 0.00 N ATOM 662 CA ALA A 44 -7.918 -12.330 -21.794 1.00 0.00 C ATOM 663 C ALA A 44 -8.768 -12.998 -20.719 1.00 0.00 C ATOM 664 O ALA A 44 -9.991 -12.858 -20.706 1.00 0.00 O ATOM 665 CB ALA A 44 -7.991 -13.118 -23.093 1.00 0.00 C ATOM 0 H ALA A 44 -5.871 -12.772 -21.881 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.317 -11.330 -21.966 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.031 -13.209 -23.405 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.425 -12.599 -23.866 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.569 -14.111 -22.940 1.00 0.00 H new ATOM 671 N GLU A 45 -8.113 -13.726 -19.820 1.00 0.00 N ATOM 672 CA GLU A 45 -8.810 -14.417 -18.742 1.00 0.00 C ATOM 673 C GLU A 45 -9.323 -13.426 -17.701 1.00 0.00 C ATOM 674 O GLU A 45 -10.479 -13.491 -17.284 1.00 0.00 O ATOM 675 CB GLU A 45 -7.884 -15.438 -18.077 1.00 0.00 C ATOM 676 CG GLU A 45 -7.368 -16.502 -19.031 1.00 0.00 C ATOM 677 CD GLU A 45 -8.311 -17.683 -19.154 1.00 0.00 C ATOM 678 OE1 GLU A 45 -8.447 -18.438 -18.168 1.00 0.00 O ATOM 679 OE2 GLU A 45 -8.912 -17.853 -20.235 1.00 0.00 O ATOM 0 H GLU A 45 -7.101 -13.852 -19.817 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.664 -14.939 -19.173 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.036 -14.914 -17.637 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.418 -15.923 -17.260 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.216 -16.059 -20.015 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.395 -16.853 -18.686 1.00 0.00 H new ATOM 686 N ILE A 46 -8.454 -12.510 -17.287 1.00 0.00 N ATOM 687 CA ILE A 46 -8.818 -11.505 -16.296 1.00 0.00 C ATOM 688 C ILE A 46 -9.839 -10.523 -16.859 1.00 0.00 C ATOM 689 O ILE A 46 -10.659 -9.975 -16.124 1.00 0.00 O ATOM 690 CB ILE A 46 -7.584 -10.723 -15.808 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.852 -10.092 -16.994 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.652 -11.637 -15.028 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.765 -9.122 -16.586 1.00 0.00 C ATOM 0 H ILE A 46 -7.493 -12.443 -17.622 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.257 -12.038 -15.452 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.917 -9.925 -15.144 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.413 -10.883 -17.602 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.575 -9.572 -17.622 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.785 -11.070 -14.690 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.179 -12.043 -14.165 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.323 -12.454 -15.670 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.289 -8.713 -17.477 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.201 -8.311 -16.003 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.021 -9.642 -15.983 1.00 0.00 H new ATOM 705 N ASP A 47 -9.784 -10.306 -18.170 1.00 0.00 N ATOM 706 CA ASP A 47 -10.705 -9.390 -18.832 1.00 0.00 C ATOM 707 C ASP A 47 -12.058 -10.055 -19.068 1.00 0.00 C ATOM 708 O ASP A 47 -12.178 -10.976 -19.877 1.00 0.00 O ATOM 709 CB ASP A 47 -10.118 -8.918 -20.164 1.00 0.00 C ATOM 710 CG ASP A 47 -10.874 -7.739 -20.742 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.595 -7.021 -19.890 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.809 -7.476 -21.943 1.00 0.00 O ATOM 0 H ASP A 47 -9.112 -10.752 -18.794 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.852 -8.528 -18.181 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.074 -8.641 -20.020 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.134 -9.742 -20.878 1.00 0.00 H new ATOM 717 N THR A 48 -13.076 -9.582 -18.355 1.00 0.00 N ATOM 718 CA THR A 48 -14.420 -10.130 -18.485 1.00 0.00 C ATOM 719 C THR A 48 -15.260 -9.302 -19.451 1.00 0.00 C ATOM 720 O THR A 48 -16.291 -9.762 -19.944 1.00 0.00 O ATOM 721 CB THR A 48 -15.136 -10.192 -17.123 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.321 -10.988 -17.228 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.498 -8.796 -16.638 1.00 0.00 C ATOM 0 H THR A 48 -12.995 -8.820 -17.681 1.00 0.00 H new ATOM 0 HA THR A 48 -14.312 -11.142 -18.876 1.00 0.00 H new ATOM 0 HB THR A 48 -14.457 -10.646 -16.401 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.635 -10.986 -18.156 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.003 -8.865 -15.674 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.591 -8.201 -16.531 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.160 -8.320 -17.361 1.00 0.00 H new ATOM 731 N ASP A 49 -14.814 -8.080 -19.718 1.00 0.00 N ATOM 732 CA ASP A 49 -15.524 -7.188 -20.627 1.00 0.00 C ATOM 733 C ASP A 49 -14.893 -7.212 -22.015 1.00 0.00 C ATOM 734 O ASP A 49 -15.330 -6.501 -22.920 1.00 0.00 O ATOM 735 CB ASP A 49 -15.525 -5.760 -20.078 1.00 0.00 C ATOM 736 CG ASP A 49 -14.945 -5.678 -18.679 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.705 -5.881 -17.710 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.732 -5.408 -18.555 1.00 0.00 O ATOM 0 H ASP A 49 -13.963 -7.684 -19.318 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.553 -7.538 -20.709 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.951 -5.117 -20.745 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.546 -5.378 -20.068 1.00 0.00 H new ATOM 743 N GLY A 50 -13.860 -8.034 -22.177 1.00 0.00 N ATOM 744 CA GLY A 50 -13.185 -8.134 -23.457 1.00 0.00 C ATOM 745 C GLY A 50 -12.852 -6.777 -24.045 1.00 0.00 C ATOM 746 O GLY A 50 -12.856 -6.602 -25.264 1.00 0.00 O ATOM 0 H GLY A 50 -13.479 -8.632 -21.444 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.267 -8.709 -23.336 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.816 -8.684 -24.155 1.00 0.00 H new ATOM 750 N ASP A 51 -12.565 -5.812 -23.177 1.00 0.00 N ATOM 751 CA ASP A 51 -12.229 -4.463 -23.617 1.00 0.00 C ATOM 752 C ASP A 51 -10.732 -4.205 -23.483 1.00 0.00 C ATOM 753 O ASP A 51 -10.010 -4.986 -22.866 1.00 0.00 O ATOM 754 CB ASP A 51 -13.013 -3.430 -22.806 1.00 0.00 C ATOM 755 CG ASP A 51 -12.450 -3.241 -21.411 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.149 -4.257 -20.750 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.310 -2.077 -20.981 1.00 0.00 O ATOM 0 H ASP A 51 -12.558 -5.939 -22.165 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.502 -4.371 -24.668 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.002 -2.475 -23.332 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.055 -3.743 -22.735 1.00 0.00 H new ATOM 762 N GLY A 52 -10.272 -3.102 -24.066 1.00 0.00 N ATOM 763 CA GLY A 52 -8.863 -2.761 -24.001 1.00 0.00 C ATOM 764 C GLY A 52 -8.503 -2.027 -22.725 1.00 0.00 C ATOM 765 O GLY A 52 -7.856 -0.979 -22.764 1.00 0.00 O ATOM 0 H GLY A 52 -10.850 -2.439 -24.582 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.268 -3.672 -24.073 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.602 -2.141 -24.859 1.00 0.00 H new ATOM 769 N PHE A 53 -8.923 -2.575 -21.590 1.00 0.00 N ATOM 770 CA PHE A 53 -8.643 -1.964 -20.296 1.00 0.00 C ATOM 771 C PHE A 53 -8.918 -2.945 -19.160 1.00 0.00 C ATOM 772 O PHE A 53 -9.818 -3.781 -19.252 1.00 0.00 O ATOM 773 CB PHE A 53 -9.487 -0.702 -20.110 1.00 0.00 C ATOM 774 CG PHE A 53 -8.860 0.531 -20.696 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.688 1.046 -20.166 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.441 1.174 -21.777 1.00 0.00 C ATOM 777 CE1 PHE A 53 -7.109 2.180 -20.702 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.867 2.308 -22.318 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.698 2.812 -21.780 1.00 0.00 C ATOM 0 H PHE A 53 -9.459 -3.442 -21.540 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.587 -1.693 -20.272 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.463 -0.857 -20.569 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.657 -0.542 -19.045 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.222 0.555 -19.324 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.354 0.784 -22.202 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.196 2.572 -20.278 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.331 2.800 -23.160 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.246 3.698 -22.201 1.00 0.00 H new ATOM 789 N ILE A 54 -8.136 -2.838 -18.091 1.00 0.00 N ATOM 790 CA ILE A 54 -8.296 -3.715 -16.937 1.00 0.00 C ATOM 791 C ILE A 54 -8.163 -2.937 -15.633 1.00 0.00 C ATOM 792 O ILE A 54 -7.259 -2.114 -15.478 1.00 0.00 O ATOM 793 CB ILE A 54 -7.260 -4.855 -16.950 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.853 -4.293 -17.156 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.598 -5.865 -18.036 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.754 -5.258 -16.770 1.00 0.00 C ATOM 0 H ILE A 54 -7.386 -2.153 -18.000 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.296 -4.143 -17.001 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.289 -5.364 -15.986 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.731 -4.016 -18.203 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.746 -3.380 -16.570 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.857 -6.664 -18.033 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.586 -6.285 -17.847 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.594 -5.370 -19.007 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.784 -4.792 -16.943 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.850 -5.516 -15.715 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.835 -6.162 -17.374 1.00 0.00 H new ATOM 808 N ASP A 55 -9.067 -3.203 -14.697 1.00 0.00 N ATOM 809 CA ASP A 55 -9.050 -2.529 -13.403 1.00 0.00 C ATOM 810 C ASP A 55 -8.147 -3.267 -12.419 1.00 0.00 C ATOM 811 O ASP A 55 -7.632 -4.344 -12.720 1.00 0.00 O ATOM 812 CB ASP A 55 -10.467 -2.428 -12.838 1.00 0.00 C ATOM 813 CG ASP A 55 -11.474 -1.976 -13.877 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.758 -2.759 -14.808 1.00 0.00 O ATOM 815 OD2 ASP A 55 -11.979 -0.840 -13.759 1.00 0.00 O ATOM 0 H ASP A 55 -9.821 -3.881 -14.810 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.654 -1.524 -13.549 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.768 -3.399 -12.443 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.473 -1.728 -12.002 1.00 0.00 H new ATOM 820 N PHE A 56 -7.959 -2.680 -11.242 1.00 0.00 N ATOM 821 CA PHE A 56 -7.117 -3.280 -10.214 1.00 0.00 C ATOM 822 C PHE A 56 -7.493 -4.741 -9.988 1.00 0.00 C ATOM 823 O PHE A 56 -6.626 -5.596 -9.810 1.00 0.00 O ATOM 824 CB PHE A 56 -7.243 -2.500 -8.903 1.00 0.00 C ATOM 825 CG PHE A 56 -6.007 -2.558 -8.051 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.778 -2.175 -8.563 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.075 -2.996 -6.738 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.639 -2.226 -7.781 1.00 0.00 C ATOM 829 CE2 PHE A 56 -4.939 -3.049 -5.952 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.720 -2.665 -6.474 1.00 0.00 C ATOM 0 H PHE A 56 -8.379 -1.789 -10.976 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.083 -3.238 -10.556 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.470 -1.458 -9.129 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.086 -2.894 -8.335 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.709 -1.833 -9.585 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.026 -3.299 -6.324 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.687 -1.923 -8.192 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.005 -3.391 -4.930 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.831 -2.708 -5.862 1.00 0.00 H new ATOM 840 N ASN A 57 -8.793 -5.020 -9.996 1.00 0.00 N ATOM 841 CA ASN A 57 -9.285 -6.377 -9.790 1.00 0.00 C ATOM 842 C ASN A 57 -8.904 -7.277 -10.962 1.00 0.00 C ATOM 843 O ASN A 57 -8.559 -8.443 -10.775 1.00 0.00 O ATOM 844 CB ASN A 57 -10.804 -6.370 -9.611 1.00 0.00 C ATOM 845 CG ASN A 57 -11.233 -6.971 -8.287 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.101 -6.431 -7.600 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.625 -8.093 -7.922 1.00 0.00 N ATOM 0 H ASN A 57 -9.524 -4.324 -10.143 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.822 -6.771 -8.886 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.170 -5.345 -9.677 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.266 -6.927 -10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.871 -8.543 -7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.911 -8.505 -8.523 1.00 0.00 H new ATOM 854 N GLU A 58 -8.969 -6.725 -12.170 1.00 0.00 N ATOM 855 CA GLU A 58 -8.631 -7.479 -13.372 1.00 0.00 C ATOM 856 C GLU A 58 -7.139 -7.796 -13.414 1.00 0.00 C ATOM 857 O GLU A 58 -6.743 -8.959 -13.499 1.00 0.00 O ATOM 858 CB GLU A 58 -9.032 -6.693 -14.623 1.00 0.00 C ATOM 859 CG GLU A 58 -10.524 -6.721 -14.907 1.00 0.00 C ATOM 860 CD GLU A 58 -10.863 -6.212 -16.295 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.224 -6.667 -17.266 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.768 -5.359 -16.408 1.00 0.00 O ATOM 0 H GLU A 58 -9.252 -5.760 -12.342 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.184 -8.418 -13.348 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.712 -5.657 -14.509 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.499 -7.099 -15.483 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.892 -7.741 -14.798 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.043 -6.114 -14.165 1.00 0.00 H new ATOM 869 N PHE A 59 -6.317 -6.754 -13.354 1.00 0.00 N ATOM 870 CA PHE A 59 -4.868 -6.921 -13.386 1.00 0.00 C ATOM 871 C PHE A 59 -4.405 -7.868 -12.284 1.00 0.00 C ATOM 872 O PHE A 59 -3.503 -8.681 -12.488 1.00 0.00 O ATOM 873 CB PHE A 59 -4.174 -5.565 -13.234 1.00 0.00 C ATOM 874 CG PHE A 59 -2.725 -5.586 -13.628 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.320 -6.213 -14.796 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.768 -4.980 -12.831 1.00 0.00 C ATOM 877 CE1 PHE A 59 -0.987 -6.234 -15.162 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.434 -4.997 -13.192 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.043 -5.626 -14.358 1.00 0.00 C ATOM 0 H PHE A 59 -6.629 -5.785 -13.283 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.598 -7.354 -14.349 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.697 -4.828 -13.843 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.256 -5.238 -12.197 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.054 -6.691 -15.428 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.068 -4.489 -11.917 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.684 -6.725 -16.075 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.302 -4.519 -12.563 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.999 -5.642 -14.640 1.00 0.00 H new ATOM 889 N ILE A 60 -5.028 -7.757 -11.116 1.00 0.00 N ATOM 890 CA ILE A 60 -4.681 -8.604 -9.981 1.00 0.00 C ATOM 891 C ILE A 60 -5.031 -10.062 -10.256 1.00 0.00 C ATOM 892 O ILE A 60 -4.228 -10.962 -10.007 1.00 0.00 O ATOM 893 CB ILE A 60 -5.399 -8.148 -8.698 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.711 -6.914 -8.112 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.430 -9.278 -7.679 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.414 -7.227 -7.399 1.00 0.00 C ATOM 0 H ILE A 60 -5.776 -7.089 -10.930 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.604 -8.513 -9.837 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.426 -7.882 -8.949 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.513 -6.203 -8.914 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.391 -6.426 -7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.941 -8.941 -6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.961 -10.132 -8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.410 -9.572 -7.430 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.982 -6.306 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.608 -7.914 -6.575 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.716 -7.688 -8.098 1.00 0.00 H new ATOM 908 N SER A 61 -6.234 -10.289 -10.773 1.00 0.00 N ATOM 909 CA SER A 61 -6.692 -11.639 -11.081 1.00 0.00 C ATOM 910 C SER A 61 -5.636 -12.403 -11.874 1.00 0.00 C ATOM 911 O SER A 61 -5.569 -13.631 -11.817 1.00 0.00 O ATOM 912 CB SER A 61 -8.002 -11.588 -11.871 1.00 0.00 C ATOM 913 OG SER A 61 -9.116 -11.475 -11.003 1.00 0.00 O ATOM 0 H SER A 61 -6.909 -9.555 -10.988 1.00 0.00 H new ATOM 0 HA SER A 61 -6.864 -12.162 -10.140 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.984 -10.741 -12.557 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.100 -12.488 -12.478 1.00 0.00 H new ATOM 0 HG SER A 61 -9.219 -10.542 -10.723 1.00 0.00 H new ATOM 919 N PHE A 62 -4.813 -11.667 -12.613 1.00 0.00 N ATOM 920 CA PHE A 62 -3.760 -12.274 -13.419 1.00 0.00 C ATOM 921 C PHE A 62 -2.696 -12.914 -12.532 1.00 0.00 C ATOM 922 O PHE A 62 -2.229 -14.021 -12.804 1.00 0.00 O ATOM 923 CB PHE A 62 -3.118 -11.227 -14.330 1.00 0.00 C ATOM 924 CG PHE A 62 -2.432 -11.815 -15.530 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.429 -12.759 -15.379 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.792 -11.425 -16.810 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.797 -13.301 -16.482 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.163 -11.964 -17.917 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.165 -12.904 -17.752 1.00 0.00 C ATOM 0 H PHE A 62 -4.855 -10.649 -12.671 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.211 -13.053 -14.034 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.886 -10.530 -14.666 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.394 -10.651 -13.754 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.138 -13.075 -14.388 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.573 -10.691 -16.945 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.016 -14.035 -16.351 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.452 -11.650 -18.909 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.673 -13.328 -18.615 1.00 0.00 H new ATOM 939 N CYS A 63 -2.318 -12.210 -11.471 1.00 0.00 N ATOM 940 CA CYS A 63 -1.308 -12.707 -10.543 1.00 0.00 C ATOM 941 C CYS A 63 -1.889 -13.785 -9.634 1.00 0.00 C ATOM 942 O CYS A 63 -1.261 -14.817 -9.399 1.00 0.00 O ATOM 943 CB CYS A 63 -0.749 -11.559 -9.701 1.00 0.00 C ATOM 944 SG CYS A 63 0.468 -12.073 -8.467 1.00 0.00 S ATOM 0 H CYS A 63 -2.696 -11.293 -11.232 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.499 -13.146 -11.126 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.290 -10.826 -10.365 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.574 -11.058 -9.195 1.00 0.00 H new ATOM 0 HG CYS A 63 0.957 -11.023 -7.877 1.00 0.00 H new ATOM 950 N ASN A 64 -3.091 -13.537 -9.124 1.00 0.00 N ATOM 951 CA ASN A 64 -3.756 -14.486 -8.238 1.00 0.00 C ATOM 952 C ASN A 64 -3.908 -15.846 -8.913 1.00 0.00 C ATOM 953 O ASN A 64 -4.031 -16.871 -8.244 1.00 0.00 O ATOM 954 CB ASN A 64 -5.129 -13.953 -7.824 1.00 0.00 C ATOM 955 CG ASN A 64 -5.140 -13.428 -6.401 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.574 -14.117 -5.477 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.663 -12.202 -6.219 1.00 0.00 N ATOM 0 H ASN A 64 -3.624 -12.687 -9.309 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.138 -14.609 -7.348 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.427 -13.156 -8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.869 -14.748 -7.921 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.646 -11.795 -5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.314 -11.667 -7.014 1.00 0.00 H new ATOM 964 N ALA A 65 -3.898 -15.845 -10.242 1.00 0.00 N ATOM 965 CA ALA A 65 -4.032 -17.078 -11.007 1.00 0.00 C ATOM 966 C ALA A 65 -2.697 -17.809 -11.110 1.00 0.00 C ATOM 967 O ALA A 65 -2.654 -19.002 -11.404 1.00 0.00 O ATOM 968 CB ALA A 65 -4.581 -16.781 -12.395 1.00 0.00 C ATOM 0 H ALA A 65 -3.799 -15.004 -10.811 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.732 -17.727 -10.482 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.676 -17.711 -12.955 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.560 -16.310 -12.306 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.901 -16.109 -12.919 1.00 0.00 H new ATOM 974 N ASN A 66 -1.611 -17.083 -10.866 1.00 0.00 N ATOM 975 CA ASN A 66 -0.274 -17.663 -10.931 1.00 0.00 C ATOM 976 C ASN A 66 -0.087 -18.453 -12.224 1.00 0.00 C ATOM 977 O ASN A 66 0.280 -19.628 -12.215 1.00 0.00 O ATOM 978 CB ASN A 66 -0.030 -18.573 -9.725 1.00 0.00 C ATOM 979 CG ASN A 66 0.230 -17.789 -8.454 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.362 -17.719 -7.974 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.821 -17.194 -7.901 1.00 0.00 N ATOM 0 H ASN A 66 -1.630 -16.093 -10.622 1.00 0.00 H new ATOM 0 HA ASN A 66 0.450 -16.848 -10.915 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.896 -19.219 -9.580 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.822 -19.222 -9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.708 -16.652 -7.044 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.741 -17.279 -8.333 1.00 0.00 H new ATOM 988 N PRO A 67 -0.343 -17.792 -13.363 1.00 0.00 N ATOM 989 CA PRO A 67 -0.209 -18.412 -14.684 1.00 0.00 C ATOM 990 C PRO A 67 1.246 -18.681 -15.053 1.00 0.00 C ATOM 991 O PRO A 67 1.546 -19.616 -15.794 1.00 0.00 O ATOM 992 CB PRO A 67 -0.815 -17.371 -15.628 1.00 0.00 C ATOM 993 CG PRO A 67 -0.657 -16.073 -14.913 1.00 0.00 C ATOM 994 CD PRO A 67 -0.784 -16.390 -13.448 1.00 0.00 C ATOM 0 HA PRO A 67 -0.699 -19.385 -14.729 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.299 -17.359 -16.588 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.864 -17.585 -15.832 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.311 -15.622 -15.132 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.420 -15.360 -15.226 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.160 -15.735 -12.840 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.809 -16.269 -13.098 1.00 0.00 H new ATOM 1002 N GLY A 68 2.147 -17.855 -14.530 1.00 0.00 N ATOM 1003 CA GLY A 68 3.561 -18.022 -14.815 1.00 0.00 C ATOM 1004 C GLY A 68 4.119 -16.890 -15.655 1.00 0.00 C ATOM 1005 O GLY A 68 5.256 -16.959 -16.125 1.00 0.00 O ATOM 0 H GLY A 68 1.923 -17.073 -13.914 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.113 -18.081 -13.877 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.715 -18.967 -15.336 1.00 0.00 H new ATOM 1009 N LEU A 69 3.320 -15.847 -15.847 1.00 0.00 N ATOM 1010 CA LEU A 69 3.740 -14.696 -16.638 1.00 0.00 C ATOM 1011 C LEU A 69 4.144 -13.534 -15.737 1.00 0.00 C ATOM 1012 O LEU A 69 5.276 -13.054 -15.795 1.00 0.00 O ATOM 1013 CB LEU A 69 2.615 -14.260 -17.578 1.00 0.00 C ATOM 1014 CG LEU A 69 2.136 -15.308 -18.583 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.310 -15.869 -19.370 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.386 -16.425 -17.872 1.00 0.00 C ATOM 0 H LEU A 69 2.377 -15.774 -15.465 1.00 0.00 H new ATOM 0 HA LEU A 69 4.606 -14.990 -17.230 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.763 -13.950 -16.973 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.950 -13.382 -18.131 1.00 0.00 H new ATOM 0 HG LEU A 69 1.453 -14.827 -19.283 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.950 -16.613 -20.080 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.805 -15.062 -19.910 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.018 -16.335 -18.685 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.052 -17.162 -18.603 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.046 -16.904 -17.149 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.521 -16.010 -17.354 1.00 0.00 H new ATOM 1028 N MET A 70 3.211 -13.087 -14.902 1.00 0.00 N ATOM 1029 CA MET A 70 3.472 -11.983 -13.985 1.00 0.00 C ATOM 1030 C MET A 70 4.608 -12.329 -13.027 1.00 0.00 C ATOM 1031 O MET A 70 5.264 -11.442 -12.481 1.00 0.00 O ATOM 1032 CB MET A 70 2.208 -11.640 -13.194 1.00 0.00 C ATOM 1033 CG MET A 70 1.035 -11.230 -14.070 1.00 0.00 C ATOM 1034 SD MET A 70 0.829 -9.441 -14.161 1.00 0.00 S ATOM 1035 CE MET A 70 1.895 -9.048 -15.546 1.00 0.00 C ATOM 0 H MET A 70 2.268 -13.472 -14.842 1.00 0.00 H new ATOM 0 HA MET A 70 3.769 -11.116 -14.574 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.919 -12.503 -12.595 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.432 -10.831 -12.499 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.181 -11.627 -15.075 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.121 -11.678 -13.680 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.703 -8.027 -15.875 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.937 -9.141 -15.241 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.695 -9.737 -16.366 1.00 0.00 H new ATOM 1045 N LYS A 71 4.834 -13.623 -12.827 1.00 0.00 N ATOM 1046 CA LYS A 71 5.891 -14.086 -11.936 1.00 0.00 C ATOM 1047 C LYS A 71 7.219 -13.414 -12.271 1.00 0.00 C ATOM 1048 O LYS A 71 7.928 -12.942 -11.382 1.00 0.00 O ATOM 1049 CB LYS A 71 6.038 -15.606 -12.032 1.00 0.00 C ATOM 1050 CG LYS A 71 4.926 -16.370 -11.334 1.00 0.00 C ATOM 1051 CD LYS A 71 5.427 -17.688 -10.766 1.00 0.00 C ATOM 1052 CE LYS A 71 5.754 -18.682 -11.869 1.00 0.00 C ATOM 1053 NZ LYS A 71 6.667 -19.758 -11.394 1.00 0.00 N ATOM 0 H LYS A 71 4.299 -14.370 -13.270 1.00 0.00 H new ATOM 0 HA LYS A 71 5.615 -13.817 -10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.062 -15.895 -13.083 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.995 -15.898 -11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.513 -15.760 -10.531 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.116 -16.561 -12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.315 -17.510 -10.160 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.670 -18.112 -10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.831 -19.127 -12.242 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.216 -18.157 -12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.866 -20.415 -12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.558 -19.336 -11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.216 -20.276 -10.613 1.00 0.00 H new ATOM 1067 N ASP A 72 7.548 -13.374 -13.557 1.00 0.00 N ATOM 1068 CA ASP A 72 8.789 -12.757 -14.010 1.00 0.00 C ATOM 1069 C ASP A 72 8.617 -11.251 -14.182 1.00 0.00 C ATOM 1070 O ASP A 72 9.559 -10.482 -13.993 1.00 0.00 O ATOM 1071 CB ASP A 72 9.245 -13.385 -15.328 1.00 0.00 C ATOM 1072 CG ASP A 72 10.010 -14.677 -15.120 1.00 0.00 C ATOM 1073 OD1 ASP A 72 10.009 -15.190 -13.981 1.00 0.00 O ATOM 1074 OD2 ASP A 72 10.609 -15.176 -16.096 1.00 0.00 O ATOM 0 H ASP A 72 6.972 -13.762 -14.305 1.00 0.00 H new ATOM 0 HA ASP A 72 9.551 -12.933 -13.250 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.375 -13.579 -15.955 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.874 -12.676 -15.866 1.00 0.00 H new ATOM 1079 N VAL A 73 7.407 -10.837 -14.544 1.00 0.00 N ATOM 1080 CA VAL A 73 7.110 -9.423 -14.743 1.00 0.00 C ATOM 1081 C VAL A 73 7.283 -8.638 -13.447 1.00 0.00 C ATOM 1082 O VAL A 73 8.080 -7.703 -13.377 1.00 0.00 O ATOM 1083 CB VAL A 73 5.677 -9.218 -15.267 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.402 -7.742 -15.508 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.455 -10.025 -16.538 1.00 0.00 C ATOM 0 H VAL A 73 6.616 -11.461 -14.706 1.00 0.00 H new ATOM 0 HA VAL A 73 7.816 -9.053 -15.486 1.00 0.00 H new ATOM 0 HB VAL A 73 4.978 -9.574 -14.511 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.384 -7.617 -15.878 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.518 -7.193 -14.574 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.106 -7.356 -16.245 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.437 -9.869 -16.895 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.161 -9.701 -17.302 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.607 -11.084 -16.328 1.00 0.00 H new ATOM 1095 N ALA A 74 6.530 -9.026 -12.422 1.00 0.00 N ATOM 1096 CA ALA A 74 6.601 -8.361 -11.128 1.00 0.00 C ATOM 1097 C ALA A 74 8.014 -8.419 -10.557 1.00 0.00 C ATOM 1098 O ALA A 74 8.376 -7.629 -9.685 1.00 0.00 O ATOM 1099 CB ALA A 74 5.611 -8.988 -10.157 1.00 0.00 C ATOM 0 H ALA A 74 5.864 -9.798 -12.464 1.00 0.00 H new ATOM 0 HA ALA A 74 6.338 -7.313 -11.271 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.675 -8.481 -9.194 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.600 -8.889 -10.553 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.848 -10.044 -10.027 1.00 0.00 H new ATOM 1105 N LYS A 75 8.809 -9.360 -11.054 1.00 0.00 N ATOM 1106 CA LYS A 75 10.184 -9.522 -10.595 1.00 0.00 C ATOM 1107 C LYS A 75 11.035 -8.321 -10.992 1.00 0.00 C ATOM 1108 O LYS A 75 11.990 -7.968 -10.300 1.00 0.00 O ATOM 1109 CB LYS A 75 10.789 -10.803 -11.174 1.00 0.00 C ATOM 1110 CG LYS A 75 11.863 -10.550 -12.218 1.00 0.00 C ATOM 1111 CD LYS A 75 12.244 -11.828 -12.946 1.00 0.00 C ATOM 1112 CE LYS A 75 12.744 -12.892 -11.981 1.00 0.00 C ATOM 1113 NZ LYS A 75 13.958 -13.583 -12.498 1.00 0.00 N ATOM 0 H LYS A 75 8.525 -10.023 -11.775 1.00 0.00 H new ATOM 0 HA LYS A 75 10.172 -9.593 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.215 -11.393 -10.362 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.994 -11.401 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.506 -9.813 -12.937 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.745 -10.126 -11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.381 -12.208 -13.492 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.017 -11.611 -13.683 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.970 -12.432 -11.019 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.955 -13.624 -11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.268 -14.301 -11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.736 -14.043 -13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.719 -12.888 -12.640 1.00 0.00 H new ATOM 1127 N VAL A 76 10.682 -7.694 -12.110 1.00 0.00 N ATOM 1128 CA VAL A 76 11.413 -6.530 -12.597 1.00 0.00 C ATOM 1129 C VAL A 76 10.636 -5.245 -12.336 1.00 0.00 C ATOM 1130 O VAL A 76 10.844 -4.233 -13.006 1.00 0.00 O ATOM 1131 CB VAL A 76 11.705 -6.642 -14.105 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.775 -7.692 -14.365 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.432 -6.965 -14.872 1.00 0.00 C ATOM 0 H VAL A 76 9.894 -7.973 -12.695 1.00 0.00 H new ATOM 0 HA VAL A 76 12.357 -6.498 -12.053 1.00 0.00 H new ATOM 0 HB VAL A 76 12.080 -5.681 -14.457 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.968 -7.757 -15.436 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.692 -7.413 -13.847 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.432 -8.660 -13.999 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.657 -7.040 -15.936 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.025 -7.913 -14.519 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.700 -6.174 -14.711 1.00 0.00 H new ATOM 1143 N PHE A 77 9.739 -5.291 -11.356 1.00 0.00 N ATOM 1144 CA PHE A 77 8.930 -4.130 -11.005 1.00 0.00 C ATOM 1145 C PHE A 77 8.127 -4.391 -9.734 1.00 0.00 C ATOM 1146 O PHE A 77 7.085 -5.045 -9.770 1.00 0.00 O ATOM 1147 CB PHE A 77 7.986 -3.773 -12.155 1.00 0.00 C ATOM 1148 CG PHE A 77 7.863 -2.296 -12.393 1.00 0.00 C ATOM 1149 CD1 PHE A 77 6.978 -1.531 -11.649 1.00 0.00 C ATOM 1150 CD2 PHE A 77 8.632 -1.670 -13.362 1.00 0.00 C ATOM 1151 CE1 PHE A 77 6.863 -0.172 -11.868 1.00 0.00 C ATOM 1152 CE2 PHE A 77 8.521 -0.311 -13.584 1.00 0.00 C ATOM 1153 CZ PHE A 77 7.636 0.440 -12.835 1.00 0.00 C ATOM 0 H PHE A 77 9.554 -6.120 -10.791 1.00 0.00 H new ATOM 0 HA PHE A 77 9.602 -3.291 -10.823 1.00 0.00 H new ATOM 0 HB2 PHE A 77 8.341 -4.252 -13.068 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.998 -4.182 -11.944 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.372 -2.003 -10.890 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.326 -2.252 -13.950 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.168 0.412 -11.283 1.00 0.00 H new ATOM 0 HE2 PHE A 77 9.126 0.164 -14.342 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.549 1.503 -13.005 1.00 0.00 H new