USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 635 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 23 THR OG1 : rot -8:sc= 1.31 USER MOD Set 1.2: A 26 THR OG1 : rot -61:sc= 1.55 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 8 THR OG1 : rot 65:sc= 1.21 USER MOD Single : A 13 GLN : amide:sc= -0.395 X(o=-0.4,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00137 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 102:sc= 0.694 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -1.99 F(o=-2.5!,f=-2) USER MOD Single : A 40 MET CE :methyl -173:sc=-0.00576 (180deg=-0.0974) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 45 SER OG : rot 80:sc= 1.15 USER MOD Single : A 49 HIS : no HE2:sc= 0.806 K(o=0.81,f=-2.8!) USER MOD Single : A 50 TYR OH : rot -138:sc= -1.13 USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= 1.18 (180deg=0.996) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.112 F(o=-3.3!,f=-0.11) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc=-0.00352 (180deg=-0.133) USER MOD Single : A 64 ASN : amide:sc= -4.3! C(o=-4.3!,f=-5.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= 1.51 (180deg=1.19) USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= 1.26 (180deg=0.623) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -10.124 3.736 7.095 1.00 0.00 N ATOM 21 CA PRO A 2 -9.749 5.149 7.308 1.00 0.00 C ATOM 22 C PRO A 2 -8.774 5.641 6.227 1.00 0.00 C ATOM 23 O PRO A 2 -7.951 6.495 6.486 1.00 0.00 O ATOM 24 CB PRO A 2 -9.072 5.055 8.693 1.00 0.00 C ATOM 25 CG PRO A 2 -8.304 3.759 8.644 1.00 0.00 C ATOM 26 CD PRO A 2 -9.053 2.856 7.663 1.00 0.00 C ATOM 0 HA PRO A 2 -10.578 5.855 7.258 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.411 5.903 8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.809 5.051 9.497 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.279 3.926 8.314 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.250 3.301 9.632 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.391 2.481 6.883 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.477 1.987 8.166 1.00 0.00 H new ATOM 34 N THR A 3 -8.942 5.120 5.009 1.00 0.00 N ATOM 35 CA THR A 3 -7.925 5.177 3.949 1.00 0.00 C ATOM 36 C THR A 3 -7.615 6.623 3.480 1.00 0.00 C ATOM 37 O THR A 3 -6.600 7.188 3.895 1.00 0.00 O ATOM 38 CB THR A 3 -8.371 4.284 2.761 1.00 0.00 C ATOM 39 OG1 THR A 3 -9.630 4.738 2.251 1.00 0.00 O ATOM 40 CG2 THR A 3 -8.508 2.817 3.180 1.00 0.00 C ATOM 0 H THR A 3 -9.797 4.641 4.725 1.00 0.00 H new ATOM 0 HA THR A 3 -6.992 4.797 4.364 1.00 0.00 H new ATOM 0 HB THR A 3 -7.603 4.358 1.991 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.903 4.170 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.822 2.222 2.323 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.548 2.451 3.544 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.252 2.733 3.972 1.00 0.00 H new ATOM 48 N LEU A 4 -8.527 7.227 2.674 1.00 0.00 N ATOM 49 CA LEU A 4 -8.362 8.595 2.132 1.00 0.00 C ATOM 50 C LEU A 4 -8.280 9.605 3.283 1.00 0.00 C ATOM 51 O LEU A 4 -7.491 10.546 3.232 1.00 0.00 O ATOM 52 CB LEU A 4 -9.549 8.977 1.195 1.00 0.00 C ATOM 53 CG LEU A 4 -9.748 8.108 -0.087 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.987 8.573 -0.889 1.00 0.00 C ATOM 55 CD2 LEU A 4 -8.481 8.108 -0.972 1.00 0.00 C ATOM 0 H LEU A 4 -9.395 6.777 2.384 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.440 8.618 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.469 8.935 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.416 10.013 0.885 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.923 7.082 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.101 7.950 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.877 8.484 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.857 9.613 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.654 7.494 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.252 9.128 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.642 7.702 -0.407 1.00 0.00 H new ATOM 67 N ASP A 5 -9.097 9.347 4.324 1.00 0.00 N ATOM 68 CA ASP A 5 -9.227 10.204 5.518 1.00 0.00 C ATOM 69 C ASP A 5 -7.873 10.409 6.215 1.00 0.00 C ATOM 70 O ASP A 5 -7.479 11.538 6.486 1.00 0.00 O ATOM 71 CB ASP A 5 -10.249 9.576 6.505 1.00 0.00 C ATOM 72 CG ASP A 5 -10.566 10.487 7.705 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.494 11.312 7.604 1.00 0.00 O ATOM 74 OD2 ASP A 5 -9.892 10.391 8.759 1.00 0.00 O ATOM 0 H ASP A 5 -9.696 8.522 4.358 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.585 11.182 5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.173 9.354 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.857 8.627 6.870 1.00 0.00 H new ATOM 79 N ALA A 6 -7.176 9.295 6.473 1.00 0.00 N ATOM 80 CA ALA A 6 -5.863 9.293 7.144 1.00 0.00 C ATOM 81 C ALA A 6 -4.792 9.941 6.252 1.00 0.00 C ATOM 82 O ALA A 6 -3.888 10.620 6.743 1.00 0.00 O ATOM 83 CB ALA A 6 -5.458 7.859 7.516 1.00 0.00 C ATOM 0 H ALA A 6 -7.506 8.363 6.222 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.944 9.882 8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.487 7.872 8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.202 7.434 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.397 7.252 6.613 1.00 0.00 H new ATOM 89 N LEU A 7 -4.916 9.721 4.937 1.00 0.00 N ATOM 90 CA LEU A 7 -4.008 10.293 3.932 1.00 0.00 C ATOM 91 C LEU A 7 -4.160 11.832 3.859 1.00 0.00 C ATOM 92 O LEU A 7 -3.176 12.531 3.681 1.00 0.00 O ATOM 93 CB LEU A 7 -4.284 9.670 2.536 1.00 0.00 C ATOM 94 CG LEU A 7 -4.039 8.137 2.377 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.536 7.639 1.001 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.558 7.789 2.600 1.00 0.00 C ATOM 0 H LEU A 7 -5.652 9.139 4.537 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.986 10.060 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.322 9.875 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.663 10.189 1.806 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.616 7.620 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.354 6.568 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.604 7.834 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.001 8.163 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.415 6.715 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.946 8.318 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.262 8.087 3.606 1.00 0.00 H new ATOM 108 N THR A 8 -5.397 12.343 4.044 1.00 0.00 N ATOM 109 CA THR A 8 -5.730 13.776 3.817 1.00 0.00 C ATOM 110 C THR A 8 -4.798 14.777 4.600 1.00 0.00 C ATOM 111 O THR A 8 -4.234 15.666 3.956 1.00 0.00 O ATOM 112 CB THR A 8 -7.249 14.057 4.093 1.00 0.00 C ATOM 113 OG1 THR A 8 -8.057 13.177 3.291 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.651 15.504 3.772 1.00 0.00 C ATOM 0 H THR A 8 -6.191 11.782 4.353 1.00 0.00 H new ATOM 0 HA THR A 8 -5.534 13.966 2.762 1.00 0.00 H new ATOM 0 HB THR A 8 -7.412 13.886 5.157 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.911 12.250 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.712 15.642 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.068 16.189 4.387 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.459 15.710 2.719 1.00 0.00 H new ATOM 122 N PRO A 9 -4.564 14.631 5.968 1.00 0.00 N ATOM 123 CA PRO A 9 -3.610 15.506 6.716 1.00 0.00 C ATOM 124 C PRO A 9 -2.152 15.354 6.225 1.00 0.00 C ATOM 125 O PRO A 9 -1.385 16.314 6.279 1.00 0.00 O ATOM 126 CB PRO A 9 -3.760 15.037 8.197 1.00 0.00 C ATOM 127 CG PRO A 9 -4.279 13.641 8.090 1.00 0.00 C ATOM 128 CD PRO A 9 -5.205 13.660 6.895 1.00 0.00 C ATOM 0 HA PRO A 9 -3.834 16.563 6.575 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.806 15.068 8.723 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.449 15.676 8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.467 12.928 7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.809 13.346 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.294 12.673 6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.211 13.975 7.173 1.00 0.00 H new ATOM 136 N ILE A 10 -1.808 14.150 5.719 1.00 0.00 N ATOM 137 CA ILE A 10 -0.442 13.826 5.248 1.00 0.00 C ATOM 138 C ILE A 10 -0.121 14.620 3.968 1.00 0.00 C ATOM 139 O ILE A 10 0.936 15.236 3.861 1.00 0.00 O ATOM 140 CB ILE A 10 -0.279 12.282 4.972 1.00 0.00 C ATOM 141 CG1 ILE A 10 -0.646 11.441 6.243 1.00 0.00 C ATOM 142 CG2 ILE A 10 1.140 11.932 4.446 1.00 0.00 C ATOM 143 CD1 ILE A 10 0.232 11.683 7.458 1.00 0.00 C ATOM 0 H ILE A 10 -2.467 13.377 5.625 1.00 0.00 H new ATOM 0 HA ILE A 10 0.257 14.106 6.036 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.982 12.017 4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.680 11.655 6.514 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.597 10.383 5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.208 10.859 4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.324 12.466 3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.885 12.226 5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.105 11.054 8.282 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.266 11.439 7.214 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.166 12.731 7.752 1.00 0.00 H new ATOM 155 N PHE A 11 -1.077 14.619 3.027 1.00 0.00 N ATOM 156 CA PHE A 11 -0.938 15.293 1.724 1.00 0.00 C ATOM 157 C PHE A 11 -0.995 16.819 1.912 1.00 0.00 C ATOM 158 O PHE A 11 -0.168 17.549 1.357 1.00 0.00 O ATOM 159 CB PHE A 11 -2.039 14.799 0.742 1.00 0.00 C ATOM 160 CG PHE A 11 -1.794 13.390 0.191 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.805 12.271 1.022 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.528 13.186 -1.155 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.570 11.005 0.526 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.288 11.927 -1.642 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.311 10.834 -0.808 1.00 0.00 C ATOM 0 H PHE A 11 -1.974 14.148 3.148 1.00 0.00 H new ATOM 0 HA PHE A 11 0.030 15.043 1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.002 14.816 1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.108 15.498 -0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.002 12.398 2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.510 14.030 -1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.590 10.152 1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.078 11.792 -2.693 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.126 9.846 -1.203 1.00 0.00 H new ATOM 175 N ARG A 12 -1.962 17.286 2.723 1.00 0.00 N ATOM 176 CA ARG A 12 -2.099 18.720 3.076 1.00 0.00 C ATOM 177 C ARG A 12 -0.830 19.271 3.761 1.00 0.00 C ATOM 178 O ARG A 12 -0.496 20.448 3.590 1.00 0.00 O ATOM 179 CB ARG A 12 -3.341 18.943 3.971 1.00 0.00 C ATOM 180 CG ARG A 12 -4.690 18.714 3.248 1.00 0.00 C ATOM 181 CD ARG A 12 -5.899 18.928 4.169 1.00 0.00 C ATOM 182 NE ARG A 12 -7.172 18.803 3.453 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.394 19.002 3.981 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.537 19.377 5.248 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.462 18.818 3.228 1.00 0.00 N ATOM 0 H ARG A 12 -2.668 16.688 3.152 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.231 19.273 2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.282 18.273 4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.317 19.961 4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.762 19.392 2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.717 17.700 2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.868 18.201 4.981 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.836 19.916 4.624 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.128 18.542 2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.714 19.518 5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.470 19.524 5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.357 18.528 2.256 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.393 18.966 3.618 1.00 0.00 H new ATOM 199 N GLN A 13 -0.142 18.402 4.528 1.00 0.00 N ATOM 200 CA GLN A 13 1.159 18.715 5.153 1.00 0.00 C ATOM 201 C GLN A 13 2.242 18.908 4.068 1.00 0.00 C ATOM 202 O GLN A 13 2.801 20.001 3.921 1.00 0.00 O ATOM 203 CB GLN A 13 1.579 17.576 6.144 1.00 0.00 C ATOM 204 CG GLN A 13 2.988 17.743 6.774 1.00 0.00 C ATOM 205 CD GLN A 13 3.130 18.976 7.684 1.00 0.00 C ATOM 206 OE1 GLN A 13 4.187 19.606 7.736 1.00 0.00 O ATOM 207 NE2 GLN A 13 2.094 19.292 8.453 1.00 0.00 N ATOM 0 H GLN A 13 -0.474 17.460 4.732 1.00 0.00 H new ATOM 0 HA GLN A 13 1.059 19.643 5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.843 17.523 6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.544 16.623 5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.223 16.850 7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.726 17.809 5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.230 18.754 8.390 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.163 20.073 9.106 1.00 0.00 H new ATOM 216 N VAL A 14 2.464 17.835 3.287 1.00 0.00 N ATOM 217 CA VAL A 14 3.570 17.713 2.315 1.00 0.00 C ATOM 218 C VAL A 14 3.524 18.812 1.236 1.00 0.00 C ATOM 219 O VAL A 14 4.534 19.474 0.974 1.00 0.00 O ATOM 220 CB VAL A 14 3.555 16.269 1.676 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.524 16.126 0.473 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.874 15.214 2.768 1.00 0.00 C ATOM 0 H VAL A 14 1.866 17.009 3.314 1.00 0.00 H new ATOM 0 HA VAL A 14 4.510 17.854 2.848 1.00 0.00 H new ATOM 0 HB VAL A 14 2.554 16.099 1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.467 15.111 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.244 16.835 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.543 16.331 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.863 14.218 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.859 15.413 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.124 15.269 3.557 1.00 0.00 H new ATOM 232 N PHE A 15 2.342 19.025 0.646 1.00 0.00 N ATOM 233 CA PHE A 15 2.158 20.000 -0.455 1.00 0.00 C ATOM 234 C PHE A 15 1.837 21.411 0.088 1.00 0.00 C ATOM 235 O PHE A 15 1.797 22.370 -0.692 1.00 0.00 O ATOM 236 CB PHE A 15 1.065 19.502 -1.440 1.00 0.00 C ATOM 237 CG PHE A 15 1.345 18.084 -1.943 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.458 17.819 -2.741 1.00 0.00 C ATOM 239 CD2 PHE A 15 0.532 17.017 -1.583 1.00 0.00 C ATOM 240 CE1 PHE A 15 2.743 16.536 -3.148 1.00 0.00 C ATOM 241 CE2 PHE A 15 0.814 15.734 -2.004 1.00 0.00 C ATOM 242 CZ PHE A 15 1.918 15.494 -2.781 1.00 0.00 C ATOM 0 H PHE A 15 1.487 18.535 0.910 1.00 0.00 H new ATOM 0 HA PHE A 15 3.097 20.078 -1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.094 19.525 -0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.006 20.182 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.104 18.630 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.335 17.195 -0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.615 16.345 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.165 14.918 -1.722 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.141 14.488 -3.106 1.00 0.00 H new ATOM 252 N ASP A 16 1.600 21.503 1.426 1.00 0.00 N ATOM 253 CA ASP A 16 1.412 22.780 2.163 1.00 0.00 C ATOM 254 C ASP A 16 0.152 23.516 1.652 1.00 0.00 C ATOM 255 O ASP A 16 0.190 24.692 1.269 1.00 0.00 O ATOM 256 CB ASP A 16 2.713 23.650 2.103 1.00 0.00 C ATOM 257 CG ASP A 16 2.674 24.923 2.972 1.00 0.00 C ATOM 258 OD1 ASP A 16 2.493 24.813 4.205 1.00 0.00 O ATOM 259 OD2 ASP A 16 2.824 26.045 2.430 1.00 0.00 O ATOM 0 H ASP A 16 1.534 20.682 2.028 1.00 0.00 H new ATOM 0 HA ASP A 16 1.238 22.570 3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.559 23.038 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.894 23.938 1.068 1.00 0.00 H new ATOM 264 N ASP A 17 -0.971 22.782 1.637 1.00 0.00 N ATOM 265 CA ASP A 17 -2.257 23.282 1.134 1.00 0.00 C ATOM 266 C ASP A 17 -3.398 22.516 1.813 1.00 0.00 C ATOM 267 O ASP A 17 -3.526 21.305 1.634 1.00 0.00 O ATOM 268 CB ASP A 17 -2.330 23.126 -0.413 1.00 0.00 C ATOM 269 CG ASP A 17 -3.663 23.630 -0.999 1.00 0.00 C ATOM 270 OD1 ASP A 17 -3.838 24.858 -1.135 1.00 0.00 O ATOM 271 OD2 ASP A 17 -4.545 22.808 -1.309 1.00 0.00 O ATOM 0 H ASP A 17 -1.011 21.821 1.975 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.352 24.342 1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.506 23.676 -0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.196 22.076 -0.675 1.00 0.00 H new ATOM 276 N ASP A 18 -4.228 23.235 2.589 1.00 0.00 N ATOM 277 CA ASP A 18 -5.367 22.657 3.336 1.00 0.00 C ATOM 278 C ASP A 18 -6.591 22.419 2.419 1.00 0.00 C ATOM 279 O ASP A 18 -7.525 21.714 2.794 1.00 0.00 O ATOM 280 CB ASP A 18 -5.729 23.596 4.523 1.00 0.00 C ATOM 281 CG ASP A 18 -6.872 23.075 5.416 1.00 0.00 C ATOM 282 OD1 ASP A 18 -6.749 21.953 5.957 1.00 0.00 O ATOM 283 OD2 ASP A 18 -7.903 23.770 5.566 1.00 0.00 O ATOM 0 H ASP A 18 -4.129 24.242 2.719 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.073 21.682 3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.841 23.744 5.138 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.009 24.572 4.127 1.00 0.00 H new ATOM 288 N SER A 19 -6.554 22.960 1.193 1.00 0.00 N ATOM 289 CA SER A 19 -7.691 22.882 0.255 1.00 0.00 C ATOM 290 C SER A 19 -7.719 21.538 -0.503 1.00 0.00 C ATOM 291 O SER A 19 -8.667 21.269 -1.244 1.00 0.00 O ATOM 292 CB SER A 19 -7.638 24.055 -0.742 1.00 0.00 C ATOM 293 OG SER A 19 -7.623 25.294 -0.068 1.00 0.00 O ATOM 0 H SER A 19 -5.745 23.460 0.823 1.00 0.00 H new ATOM 0 HA SER A 19 -8.608 22.948 0.841 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.749 23.966 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.500 24.010 -1.408 1.00 0.00 H new ATOM 0 HG SER A 19 -7.587 26.022 -0.723 1.00 0.00 H new ATOM 299 N ILE A 20 -6.653 20.721 -0.334 1.00 0.00 N ATOM 300 CA ILE A 20 -6.565 19.370 -0.922 1.00 0.00 C ATOM 301 C ILE A 20 -7.746 18.482 -0.453 1.00 0.00 C ATOM 302 O ILE A 20 -7.920 18.231 0.740 1.00 0.00 O ATOM 303 CB ILE A 20 -5.187 18.672 -0.576 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.993 19.490 -1.161 1.00 0.00 C ATOM 305 CG2 ILE A 20 -5.137 17.197 -1.068 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.614 18.924 -0.863 1.00 0.00 C ATOM 0 H ILE A 20 -5.833 20.982 0.213 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.623 19.486 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.099 18.652 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.115 19.558 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.043 20.506 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.173 16.759 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.935 16.627 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.268 17.170 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.854 19.563 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.463 18.883 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.535 17.920 -1.279 1.00 0.00 H new ATOM 318 N VAL A 21 -8.557 18.034 -1.418 1.00 0.00 N ATOM 319 CA VAL A 21 -9.679 17.117 -1.195 1.00 0.00 C ATOM 320 C VAL A 21 -9.381 15.870 -2.033 1.00 0.00 C ATOM 321 O VAL A 21 -9.587 15.875 -3.260 1.00 0.00 O ATOM 322 CB VAL A 21 -11.064 17.751 -1.613 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.243 16.769 -1.374 1.00 0.00 C ATOM 324 CG2 VAL A 21 -11.303 19.096 -0.879 1.00 0.00 C ATOM 0 H VAL A 21 -8.449 18.305 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.770 16.883 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.020 17.951 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.178 17.243 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.089 15.865 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.291 16.509 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.263 19.512 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.307 18.927 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.507 19.796 -1.134 1.00 0.00 H new ATOM 334 N LEU A 22 -8.816 14.846 -1.375 1.00 0.00 N ATOM 335 CA LEU A 22 -8.319 13.641 -2.049 1.00 0.00 C ATOM 336 C LEU A 22 -9.443 12.876 -2.753 1.00 0.00 C ATOM 337 O LEU A 22 -10.480 12.569 -2.159 1.00 0.00 O ATOM 338 CB LEU A 22 -7.568 12.721 -1.050 1.00 0.00 C ATOM 339 CG LEU A 22 -6.196 13.267 -0.536 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.564 12.294 0.473 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.229 13.551 -1.716 1.00 0.00 C ATOM 0 H LEU A 22 -8.692 14.832 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.616 13.965 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.214 12.543 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.400 11.756 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.381 14.211 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.610 12.695 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.233 12.168 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.400 11.329 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.283 13.930 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.051 12.630 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.673 14.294 -2.379 1.00 0.00 H new ATOM 353 N THR A 23 -9.200 12.586 -4.028 1.00 0.00 N ATOM 354 CA THR A 23 -10.062 11.745 -4.846 1.00 0.00 C ATOM 355 C THR A 23 -9.279 10.467 -5.144 1.00 0.00 C ATOM 356 O THR A 23 -8.045 10.439 -4.987 1.00 0.00 O ATOM 357 CB THR A 23 -10.523 12.460 -6.168 1.00 0.00 C ATOM 358 OG1 THR A 23 -9.393 12.854 -6.968 1.00 0.00 O ATOM 359 CG2 THR A 23 -11.396 13.700 -5.887 1.00 0.00 C ATOM 0 H THR A 23 -8.383 12.936 -4.529 1.00 0.00 H new ATOM 0 HA THR A 23 -10.983 11.522 -4.308 1.00 0.00 H new ATOM 0 HB THR A 23 -11.122 11.732 -6.715 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.566 12.703 -6.464 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.690 14.160 -6.831 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.288 13.400 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.828 14.418 -5.295 1.00 0.00 H new ATOM 367 N ARG A 24 -9.988 9.409 -5.537 1.00 0.00 N ATOM 368 CA ARG A 24 -9.371 8.109 -5.839 1.00 0.00 C ATOM 369 C ARG A 24 -8.299 8.265 -6.941 1.00 0.00 C ATOM 370 O ARG A 24 -7.163 7.836 -6.765 1.00 0.00 O ATOM 371 CB ARG A 24 -10.453 7.063 -6.250 1.00 0.00 C ATOM 372 CG ARG A 24 -11.340 6.514 -5.091 1.00 0.00 C ATOM 373 CD ARG A 24 -12.287 7.560 -4.469 1.00 0.00 C ATOM 374 NE ARG A 24 -13.099 6.998 -3.384 1.00 0.00 N ATOM 375 CZ ARG A 24 -14.072 7.641 -2.718 1.00 0.00 C ATOM 376 NH1 ARG A 24 -14.376 8.911 -2.986 1.00 0.00 N ATOM 377 NH2 ARG A 24 -14.730 6.995 -1.778 1.00 0.00 N ATOM 0 H ARG A 24 -11.001 9.424 -5.656 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.881 7.741 -4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.104 7.516 -6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.954 6.221 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.934 5.681 -5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.692 6.117 -4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.701 8.396 -4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.943 7.959 -5.243 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.908 6.034 -3.111 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.865 9.416 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.119 9.378 -2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.497 6.025 -1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.473 7.465 -1.260 1.00 0.00 H new ATOM 391 N GLU A 25 -8.649 8.988 -8.012 1.00 0.00 N ATOM 392 CA GLU A 25 -7.785 9.166 -9.204 1.00 0.00 C ATOM 393 C GLU A 25 -6.752 10.316 -9.053 1.00 0.00 C ATOM 394 O GLU A 25 -6.118 10.702 -10.049 1.00 0.00 O ATOM 395 CB GLU A 25 -8.651 9.374 -10.488 1.00 0.00 C ATOM 396 CG GLU A 25 -9.677 10.541 -10.431 1.00 0.00 C ATOM 397 CD GLU A 25 -11.049 10.138 -9.856 1.00 0.00 C ATOM 398 OE1 GLU A 25 -11.902 9.658 -10.628 1.00 0.00 O ATOM 399 OE2 GLU A 25 -11.285 10.289 -8.635 1.00 0.00 O ATOM 0 H GLU A 25 -9.544 9.472 -8.084 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.209 8.246 -9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.982 9.545 -11.331 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.192 8.450 -10.692 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.263 11.347 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.818 10.938 -11.436 1.00 0.00 H new ATOM 406 N THR A 26 -6.574 10.858 -7.824 1.00 0.00 N ATOM 407 CA THR A 26 -5.526 11.870 -7.547 1.00 0.00 C ATOM 408 C THR A 26 -4.110 11.263 -7.727 1.00 0.00 C ATOM 409 O THR A 26 -3.603 10.585 -6.843 1.00 0.00 O ATOM 410 CB THR A 26 -5.673 12.482 -6.107 1.00 0.00 C ATOM 411 OG1 THR A 26 -6.949 13.105 -5.976 1.00 0.00 O ATOM 412 CG2 THR A 26 -4.584 13.517 -5.778 1.00 0.00 C ATOM 0 H THR A 26 -7.140 10.612 -7.012 1.00 0.00 H new ATOM 0 HA THR A 26 -5.659 12.676 -8.269 1.00 0.00 H new ATOM 0 HB THR A 26 -5.566 11.654 -5.406 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.026 13.834 -6.627 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.741 13.902 -4.770 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.603 13.045 -5.837 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.635 14.339 -6.493 1.00 0.00 H new ATOM 420 N SER A 27 -3.503 11.467 -8.896 1.00 0.00 N ATOM 421 CA SER A 27 -2.127 11.017 -9.176 1.00 0.00 C ATOM 422 C SER A 27 -1.157 12.212 -9.156 1.00 0.00 C ATOM 423 O SER A 27 -1.549 13.345 -8.841 1.00 0.00 O ATOM 424 CB SER A 27 -2.088 10.300 -10.542 1.00 0.00 C ATOM 425 OG SER A 27 -2.470 11.161 -11.595 1.00 0.00 O ATOM 0 H SER A 27 -3.945 11.948 -9.679 1.00 0.00 H new ATOM 0 HA SER A 27 -1.812 10.317 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.082 9.923 -10.727 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.753 9.436 -10.519 1.00 0.00 H new ATOM 0 HG SER A 27 -2.432 10.675 -12.445 1.00 0.00 H new ATOM 431 N ALA A 28 0.118 11.934 -9.483 1.00 0.00 N ATOM 432 CA ALA A 28 1.158 12.962 -9.673 1.00 0.00 C ATOM 433 C ALA A 28 0.824 13.949 -10.826 1.00 0.00 C ATOM 434 O ALA A 28 1.479 14.989 -10.963 1.00 0.00 O ATOM 435 CB ALA A 28 2.505 12.270 -9.907 1.00 0.00 C ATOM 0 H ALA A 28 0.458 10.983 -9.624 1.00 0.00 H new ATOM 0 HA ALA A 28 1.207 13.569 -8.769 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.281 13.022 -10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.752 11.653 -9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.442 11.642 -10.796 1.00 0.00 H new ATOM 441 N ASN A 29 -0.183 13.599 -11.657 1.00 0.00 N ATOM 442 CA ASN A 29 -0.720 14.495 -12.707 1.00 0.00 C ATOM 443 C ASN A 29 -1.810 15.420 -12.125 1.00 0.00 C ATOM 444 O ASN A 29 -1.930 16.578 -12.536 1.00 0.00 O ATOM 445 CB ASN A 29 -1.292 13.658 -13.888 1.00 0.00 C ATOM 446 CG ASN A 29 -1.815 14.509 -15.060 1.00 0.00 C ATOM 447 OD1 ASN A 29 -3.001 14.835 -15.139 1.00 0.00 O ATOM 448 ND2 ASN A 29 -0.934 14.883 -15.980 1.00 0.00 N ATOM 0 H ASN A 29 -0.645 12.691 -11.620 1.00 0.00 H new ATOM 0 HA ASN A 29 0.093 15.117 -13.081 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.514 12.989 -14.256 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.103 13.031 -13.517 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.234 15.452 -16.772 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.043 14.602 -15.895 1.00 0.00 H new ATOM 455 N ASP A 30 -2.597 14.900 -11.158 1.00 0.00 N ATOM 456 CA ASP A 30 -3.735 15.636 -10.557 1.00 0.00 C ATOM 457 C ASP A 30 -3.243 16.673 -9.526 1.00 0.00 C ATOM 458 O ASP A 30 -3.916 17.674 -9.267 1.00 0.00 O ATOM 459 CB ASP A 30 -4.717 14.632 -9.902 1.00 0.00 C ATOM 460 CG ASP A 30 -6.045 15.268 -9.448 1.00 0.00 C ATOM 461 OD1 ASP A 30 -6.773 15.813 -10.303 1.00 0.00 O ATOM 462 OD2 ASP A 30 -6.378 15.225 -8.247 1.00 0.00 O ATOM 0 H ASP A 30 -2.464 13.965 -10.773 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.256 16.179 -11.346 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.931 13.833 -10.611 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.232 14.173 -9.041 1.00 0.00 H new ATOM 467 N ILE A 31 -2.050 16.427 -8.956 1.00 0.00 N ATOM 468 CA ILE A 31 -1.348 17.386 -8.076 1.00 0.00 C ATOM 469 C ILE A 31 -0.051 17.757 -8.796 1.00 0.00 C ATOM 470 O ILE A 31 0.850 16.922 -8.913 1.00 0.00 O ATOM 471 CB ILE A 31 -1.034 16.813 -6.634 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.349 16.440 -5.883 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.192 17.815 -5.794 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.169 15.927 -4.451 1.00 0.00 C ATOM 0 H ILE A 31 -1.541 15.554 -9.092 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.991 18.249 -7.902 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.443 15.907 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.993 17.319 -5.857 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.872 15.678 -6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.005 17.389 -4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.753 18.010 -6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.743 18.749 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.144 15.697 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.556 15.026 -4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.679 16.692 -3.849 1.00 0.00 H new ATOM 486 N ASP A 32 0.012 18.995 -9.313 1.00 0.00 N ATOM 487 CA ASP A 32 1.146 19.470 -10.134 1.00 0.00 C ATOM 488 C ASP A 32 2.453 19.513 -9.311 1.00 0.00 C ATOM 489 O ASP A 32 3.531 19.180 -9.810 1.00 0.00 O ATOM 490 CB ASP A 32 0.826 20.862 -10.742 1.00 0.00 C ATOM 491 CG ASP A 32 1.847 21.299 -11.812 1.00 0.00 C ATOM 492 OD1 ASP A 32 1.693 20.902 -12.988 1.00 0.00 O ATOM 493 OD2 ASP A 32 2.805 22.041 -11.489 1.00 0.00 O ATOM 0 H ASP A 32 -0.717 19.695 -9.176 1.00 0.00 H new ATOM 0 HA ASP A 32 1.295 18.763 -10.950 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.170 20.839 -11.185 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.803 21.605 -9.944 1.00 0.00 H new ATOM 498 N ALA A 33 2.327 19.887 -8.030 1.00 0.00 N ATOM 499 CA ALA A 33 3.465 19.998 -7.094 1.00 0.00 C ATOM 500 C ALA A 33 3.997 18.619 -6.637 1.00 0.00 C ATOM 501 O ALA A 33 5.011 18.554 -5.934 1.00 0.00 O ATOM 502 CB ALA A 33 3.047 20.841 -5.879 1.00 0.00 C ATOM 0 H ALA A 33 1.429 20.123 -7.607 1.00 0.00 H new ATOM 0 HA ALA A 33 4.282 20.487 -7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.886 20.924 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.751 21.836 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.207 20.362 -5.375 1.00 0.00 H new ATOM 508 N TRP A 34 3.312 17.527 -7.034 1.00 0.00 N ATOM 509 CA TRP A 34 3.687 16.150 -6.662 1.00 0.00 C ATOM 510 C TRP A 34 4.747 15.608 -7.641 1.00 0.00 C ATOM 511 O TRP A 34 4.470 14.713 -8.442 1.00 0.00 O ATOM 512 CB TRP A 34 2.411 15.252 -6.629 1.00 0.00 C ATOM 513 CG TRP A 34 2.520 13.949 -5.873 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.631 13.383 -5.311 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.436 13.061 -5.582 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.303 12.204 -4.703 1.00 0.00 N ATOM 517 CE2 TRP A 34 1.964 11.984 -4.855 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.074 13.076 -5.872 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.180 10.929 -4.417 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.710 12.027 -5.441 1.00 0.00 C ATOM 521 CH2 TRP A 34 -0.154 10.965 -4.718 1.00 0.00 C ATOM 0 H TRP A 34 2.481 17.577 -7.623 1.00 0.00 H new ATOM 0 HA TRP A 34 4.129 16.142 -5.666 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.598 15.832 -6.193 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.126 15.027 -7.657 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.624 13.807 -5.343 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.953 11.588 -4.215 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.361 13.895 -6.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.606 10.109 -3.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.767 12.025 -5.664 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.792 10.157 -4.391 1.00 0.00 H new ATOM 532 N ASP A 35 5.954 16.200 -7.589 1.00 0.00 N ATOM 533 CA ASP A 35 7.136 15.708 -8.328 1.00 0.00 C ATOM 534 C ASP A 35 7.809 14.574 -7.533 1.00 0.00 C ATOM 535 O ASP A 35 7.441 14.321 -6.384 1.00 0.00 O ATOM 536 CB ASP A 35 8.129 16.865 -8.594 1.00 0.00 C ATOM 537 CG ASP A 35 8.693 17.473 -7.299 1.00 0.00 C ATOM 538 OD1 ASP A 35 8.065 18.391 -6.741 1.00 0.00 O ATOM 539 OD2 ASP A 35 9.755 17.011 -6.819 1.00 0.00 O ATOM 0 H ASP A 35 6.140 17.035 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 35 6.817 15.315 -9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.952 16.498 -9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.627 17.644 -9.168 1.00 0.00 H new ATOM 544 N SER A 36 8.795 13.909 -8.158 1.00 0.00 N ATOM 545 CA SER A 36 9.506 12.732 -7.594 1.00 0.00 C ATOM 546 C SER A 36 10.092 12.959 -6.180 1.00 0.00 C ATOM 547 O SER A 36 10.090 12.045 -5.346 1.00 0.00 O ATOM 548 CB SER A 36 10.598 12.298 -8.589 1.00 0.00 C ATOM 549 OG SER A 36 10.007 11.957 -9.854 1.00 0.00 O ATOM 0 H SER A 36 9.131 14.172 -9.084 1.00 0.00 H new ATOM 0 HA SER A 36 8.770 11.939 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.321 13.103 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.144 11.442 -8.191 1.00 0.00 H new ATOM 0 HG SER A 36 10.710 11.684 -10.480 1.00 0.00 H new ATOM 554 N LEU A 37 10.580 14.169 -5.925 1.00 0.00 N ATOM 555 CA LEU A 37 11.147 14.539 -4.610 1.00 0.00 C ATOM 556 C LEU A 37 10.025 14.770 -3.565 1.00 0.00 C ATOM 557 O LEU A 37 10.206 14.470 -2.377 1.00 0.00 O ATOM 558 CB LEU A 37 12.077 15.777 -4.735 1.00 0.00 C ATOM 559 CG LEU A 37 13.430 15.581 -5.506 1.00 0.00 C ATOM 560 CD1 LEU A 37 14.255 14.419 -4.911 1.00 0.00 C ATOM 561 CD2 LEU A 37 13.221 15.420 -7.031 1.00 0.00 C ATOM 0 H LEU A 37 10.599 14.924 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 37 11.755 13.706 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.518 16.571 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.309 16.129 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 37 14.008 16.495 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.185 14.311 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.481 14.631 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.682 13.494 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.187 15.287 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.595 14.548 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.734 16.311 -7.427 1.00 0.00 H new ATOM 573 N SER A 38 8.866 15.284 -4.022 1.00 0.00 N ATOM 574 CA SER A 38 7.655 15.422 -3.180 1.00 0.00 C ATOM 575 C SER A 38 7.049 14.035 -2.838 1.00 0.00 C ATOM 576 O SER A 38 6.448 13.878 -1.773 1.00 0.00 O ATOM 577 CB SER A 38 6.610 16.316 -3.882 1.00 0.00 C ATOM 578 OG SER A 38 7.129 17.615 -4.118 1.00 0.00 O ATOM 0 H SER A 38 8.740 15.614 -4.979 1.00 0.00 H new ATOM 0 HA SER A 38 7.946 15.898 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.314 15.862 -4.827 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.713 16.385 -3.267 1.00 0.00 H new ATOM 0 HG SER A 38 7.396 17.695 -5.057 1.00 0.00 H new ATOM 584 N HIS A 39 7.202 13.048 -3.761 1.00 0.00 N ATOM 585 CA HIS A 39 6.854 11.624 -3.497 1.00 0.00 C ATOM 586 C HIS A 39 7.617 11.093 -2.270 1.00 0.00 C ATOM 587 O HIS A 39 7.036 10.418 -1.422 1.00 0.00 O ATOM 588 CB HIS A 39 7.147 10.706 -4.724 1.00 0.00 C ATOM 589 CG HIS A 39 6.164 10.832 -5.858 1.00 0.00 C ATOM 590 ND1 HIS A 39 6.239 11.549 -6.999 1.00 0.00 N flip ATOM 591 CD2 HIS A 39 4.992 10.130 -5.859 1.00 0.00 C flip ATOM 592 CE1 HIS A 39 5.108 11.299 -7.712 1.00 0.00 C flip ATOM 593 NE2 HIS A 39 4.392 10.440 -6.991 1.00 0.00 N flip ATOM 0 H HIS A 39 7.566 13.213 -4.699 1.00 0.00 H new ATOM 0 HA HIS A 39 5.782 11.597 -3.302 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.144 10.934 -5.100 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.162 9.669 -4.388 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.632 9.460 -5.092 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.844 11.715 -8.673 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.488 10.066 -7.279 1.00 0.00 H new ATOM 601 N MET A 40 8.914 11.440 -2.177 1.00 0.00 N ATOM 602 CA MET A 40 9.783 10.993 -1.068 1.00 0.00 C ATOM 603 C MET A 40 9.271 11.530 0.279 1.00 0.00 C ATOM 604 O MET A 40 9.158 10.775 1.249 1.00 0.00 O ATOM 605 CB MET A 40 11.252 11.428 -1.304 1.00 0.00 C ATOM 606 CG MET A 40 11.894 10.817 -2.556 1.00 0.00 C ATOM 607 SD MET A 40 11.791 9.011 -2.590 1.00 0.00 S ATOM 608 CE MET A 40 12.727 8.531 -1.128 1.00 0.00 C ATOM 0 H MET A 40 9.387 12.032 -2.860 1.00 0.00 H new ATOM 0 HA MET A 40 9.752 9.904 -1.037 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.289 12.514 -1.383 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.846 11.151 -0.433 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.405 11.221 -3.443 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.941 11.117 -2.605 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.841 7.447 -1.109 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.711 8.999 -1.156 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.196 8.856 -0.233 1.00 0.00 H new ATOM 618 N ASN A 41 8.924 12.832 0.301 1.00 0.00 N ATOM 619 CA ASN A 41 8.385 13.521 1.500 1.00 0.00 C ATOM 620 C ASN A 41 7.019 12.935 1.908 1.00 0.00 C ATOM 621 O ASN A 41 6.738 12.763 3.098 1.00 0.00 O ATOM 622 CB ASN A 41 8.260 15.043 1.230 1.00 0.00 C ATOM 623 CG ASN A 41 9.612 15.723 1.001 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.619 15.354 1.606 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.650 16.701 0.115 1.00 0.00 N ATOM 0 H ASN A 41 9.008 13.441 -0.513 1.00 0.00 H new ATOM 0 HA ASN A 41 9.080 13.363 2.325 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.628 15.201 0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.760 15.516 2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.531 17.174 -0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.798 16.983 -0.370 1.00 0.00 H new ATOM 632 N LEU A 42 6.192 12.623 0.898 1.00 0.00 N ATOM 633 CA LEU A 42 4.851 12.028 1.079 1.00 0.00 C ATOM 634 C LEU A 42 4.949 10.665 1.795 1.00 0.00 C ATOM 635 O LEU A 42 4.258 10.413 2.798 1.00 0.00 O ATOM 636 CB LEU A 42 4.164 11.930 -0.328 1.00 0.00 C ATOM 637 CG LEU A 42 2.620 11.676 -0.386 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.247 10.197 -0.142 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.876 12.622 0.584 1.00 0.00 C ATOM 0 H LEU A 42 6.435 12.777 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 42 4.235 12.657 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.368 12.858 -0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.653 11.129 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 42 2.295 11.902 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.164 10.081 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.716 9.573 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.598 9.891 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.804 12.430 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.224 12.447 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.074 13.657 0.306 1.00 0.00 H new ATOM 651 N ILE A 43 5.850 9.822 1.279 1.00 0.00 N ATOM 652 CA ILE A 43 6.064 8.455 1.772 1.00 0.00 C ATOM 653 C ILE A 43 6.589 8.479 3.217 1.00 0.00 C ATOM 654 O ILE A 43 5.964 7.875 4.087 1.00 0.00 O ATOM 655 CB ILE A 43 7.013 7.637 0.788 1.00 0.00 C ATOM 656 CG1 ILE A 43 6.191 6.956 -0.362 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.886 6.575 1.516 1.00 0.00 C ATOM 658 CD1 ILE A 43 5.275 7.852 -1.177 1.00 0.00 C ATOM 0 H ILE A 43 6.458 10.071 0.499 1.00 0.00 H new ATOM 0 HA ILE A 43 5.108 7.932 1.788 1.00 0.00 H new ATOM 0 HB ILE A 43 7.693 8.372 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.894 6.479 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.586 6.163 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.508 6.054 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.523 7.069 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.240 5.857 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.767 7.258 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.536 8.310 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.864 8.632 -1.660 1.00 0.00 H new ATOM 670 N VAL A 44 7.683 9.230 3.478 1.00 0.00 N ATOM 671 CA VAL A 44 8.330 9.244 4.808 1.00 0.00 C ATOM 672 C VAL A 44 7.374 9.750 5.915 1.00 0.00 C ATOM 673 O VAL A 44 7.503 9.347 7.080 1.00 0.00 O ATOM 674 CB VAL A 44 9.668 10.068 4.819 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.711 9.463 3.843 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.432 11.567 4.519 1.00 0.00 C ATOM 0 H VAL A 44 8.134 9.831 2.788 1.00 0.00 H new ATOM 0 HA VAL A 44 8.581 8.206 5.026 1.00 0.00 H new ATOM 0 HB VAL A 44 10.072 10.001 5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.625 10.056 3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.933 8.438 4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.308 9.470 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.385 12.096 4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.977 11.674 3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.768 11.989 5.274 1.00 0.00 H new ATOM 686 N SER A 45 6.420 10.626 5.534 1.00 0.00 N ATOM 687 CA SER A 45 5.344 11.091 6.429 1.00 0.00 C ATOM 688 C SER A 45 4.407 9.930 6.826 1.00 0.00 C ATOM 689 O SER A 45 4.087 9.759 8.003 1.00 0.00 O ATOM 690 CB SER A 45 4.545 12.234 5.766 1.00 0.00 C ATOM 691 OG SER A 45 5.378 13.336 5.460 1.00 0.00 O ATOM 0 H SER A 45 6.376 11.029 4.598 1.00 0.00 H new ATOM 0 HA SER A 45 5.805 11.473 7.340 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.073 11.869 4.854 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.745 12.555 6.433 1.00 0.00 H new ATOM 0 HG SER A 45 5.869 13.155 4.631 1.00 0.00 H new ATOM 697 N LEU A 46 3.997 9.113 5.842 1.00 0.00 N ATOM 698 CA LEU A 46 3.149 7.916 6.097 1.00 0.00 C ATOM 699 C LEU A 46 3.877 6.887 6.998 1.00 0.00 C ATOM 700 O LEU A 46 3.277 6.316 7.920 1.00 0.00 O ATOM 701 CB LEU A 46 2.732 7.273 4.751 1.00 0.00 C ATOM 702 CG LEU A 46 1.754 8.126 3.883 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.593 7.551 2.461 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.385 8.260 4.585 1.00 0.00 C ATOM 0 H LEU A 46 4.234 9.252 4.860 1.00 0.00 H new ATOM 0 HA LEU A 46 2.254 8.236 6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.631 7.074 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.265 6.310 4.956 1.00 0.00 H new ATOM 0 HG LEU A 46 2.189 9.120 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.904 8.175 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.563 7.534 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.198 6.537 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.284 8.858 3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.046 7.270 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.518 8.747 5.551 1.00 0.00 H new ATOM 716 N GLU A 47 5.180 6.702 6.733 1.00 0.00 N ATOM 717 CA GLU A 47 6.036 5.728 7.442 1.00 0.00 C ATOM 718 C GLU A 47 6.097 6.025 8.951 1.00 0.00 C ATOM 719 O GLU A 47 5.825 5.145 9.769 1.00 0.00 O ATOM 720 CB GLU A 47 7.466 5.743 6.833 1.00 0.00 C ATOM 721 CG GLU A 47 7.526 5.439 5.317 1.00 0.00 C ATOM 722 CD GLU A 47 7.243 3.975 4.932 1.00 0.00 C ATOM 723 OE1 GLU A 47 6.065 3.559 4.915 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.210 3.236 4.623 1.00 0.00 O ATOM 0 H GLU A 47 5.677 7.228 6.014 1.00 0.00 H new ATOM 0 HA GLU A 47 5.599 4.737 7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.912 6.721 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.079 5.012 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.807 6.078 4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.514 5.711 4.947 1.00 0.00 H new ATOM 731 N VAL A 48 6.444 7.275 9.303 1.00 0.00 N ATOM 732 CA VAL A 48 6.621 7.690 10.708 1.00 0.00 C ATOM 733 C VAL A 48 5.288 7.711 11.498 1.00 0.00 C ATOM 734 O VAL A 48 5.247 7.273 12.649 1.00 0.00 O ATOM 735 CB VAL A 48 7.336 9.089 10.820 1.00 0.00 C ATOM 736 CG1 VAL A 48 8.768 9.031 10.245 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.519 10.214 10.138 1.00 0.00 C ATOM 0 H VAL A 48 6.609 8.022 8.628 1.00 0.00 H new ATOM 0 HA VAL A 48 7.262 6.934 11.160 1.00 0.00 H new ATOM 0 HB VAL A 48 7.401 9.328 11.881 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.237 10.011 10.336 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.353 8.296 10.798 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.727 8.745 9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.049 11.161 10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.391 9.981 9.081 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.541 10.293 10.613 1.00 0.00 H new ATOM 747 N HIS A 49 4.212 8.232 10.869 1.00 0.00 N ATOM 748 CA HIS A 49 2.893 8.401 11.521 1.00 0.00 C ATOM 749 C HIS A 49 2.251 7.048 11.897 1.00 0.00 C ATOM 750 O HIS A 49 1.837 6.856 13.041 1.00 0.00 O ATOM 751 CB HIS A 49 1.931 9.247 10.624 1.00 0.00 C ATOM 752 CG HIS A 49 2.132 10.748 10.712 1.00 0.00 C ATOM 753 ND1 HIS A 49 3.113 11.437 10.022 1.00 0.00 N ATOM 754 CD2 HIS A 49 1.445 11.693 11.404 1.00 0.00 C ATOM 755 CE1 HIS A 49 3.021 12.722 10.291 1.00 0.00 C ATOM 756 NE2 HIS A 49 2.014 12.906 11.118 1.00 0.00 N ATOM 0 H HIS A 49 4.232 8.546 9.899 1.00 0.00 H new ATOM 0 HA HIS A 49 3.062 8.944 12.451 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.059 8.938 9.587 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.902 9.016 10.901 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.802 11.014 9.400 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.604 11.520 12.060 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.664 13.496 9.899 1.00 0.00 H new ATOM 765 N TYR A 50 2.172 6.126 10.928 1.00 0.00 N ATOM 766 CA TYR A 50 1.461 4.827 11.104 1.00 0.00 C ATOM 767 C TYR A 50 2.420 3.682 11.478 1.00 0.00 C ATOM 768 O TYR A 50 1.969 2.552 11.709 1.00 0.00 O ATOM 769 CB TYR A 50 0.673 4.486 9.811 1.00 0.00 C ATOM 770 CG TYR A 50 -0.235 5.633 9.358 1.00 0.00 C ATOM 771 CD1 TYR A 50 -1.488 5.834 9.939 1.00 0.00 C ATOM 772 CD2 TYR A 50 0.200 6.559 8.411 1.00 0.00 C ATOM 773 CE1 TYR A 50 -2.265 6.911 9.584 1.00 0.00 C ATOM 774 CE2 TYR A 50 -0.580 7.627 8.048 1.00 0.00 C ATOM 775 CZ TYR A 50 -1.804 7.801 8.639 1.00 0.00 C ATOM 776 OH TYR A 50 -2.563 8.889 8.306 1.00 0.00 O ATOM 0 H TYR A 50 2.590 6.245 10.005 1.00 0.00 H new ATOM 0 HA TYR A 50 0.765 4.935 11.936 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.376 4.247 9.013 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.069 3.595 9.982 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.852 5.134 10.677 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.170 6.433 7.954 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.231 7.059 10.043 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.232 8.326 7.302 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.544 9.016 7.334 1.00 0.00 H new ATOM 786 N LYS A 51 3.738 3.997 11.553 1.00 0.00 N ATOM 787 CA LYS A 51 4.818 3.014 11.824 1.00 0.00 C ATOM 788 C LYS A 51 4.820 1.890 10.768 1.00 0.00 C ATOM 789 O LYS A 51 5.197 0.755 11.054 1.00 0.00 O ATOM 790 CB LYS A 51 4.747 2.453 13.290 1.00 0.00 C ATOM 791 CG LYS A 51 5.383 3.360 14.378 1.00 0.00 C ATOM 792 CD LYS A 51 4.631 4.690 14.620 1.00 0.00 C ATOM 793 CE LYS A 51 3.217 4.493 15.205 1.00 0.00 C ATOM 794 NZ LYS A 51 2.575 5.781 15.550 1.00 0.00 N ATOM 0 H LYS A 51 4.084 4.948 11.426 1.00 0.00 H new ATOM 0 HA LYS A 51 5.770 3.538 11.743 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.701 2.284 13.547 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.242 1.482 13.315 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.427 2.806 15.316 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.410 3.584 14.092 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.215 5.311 15.300 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.555 5.233 13.678 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.597 3.961 14.483 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.277 3.868 16.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.753 5.606 16.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.257 6.386 16.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.263 6.258 14.680 1.00 0.00 H new ATOM 808 N ILE A 52 4.460 2.250 9.523 1.00 0.00 N ATOM 809 CA ILE A 52 4.334 1.295 8.405 1.00 0.00 C ATOM 810 C ILE A 52 5.610 1.331 7.554 1.00 0.00 C ATOM 811 O ILE A 52 6.507 2.140 7.817 1.00 0.00 O ATOM 812 CB ILE A 52 3.059 1.589 7.522 1.00 0.00 C ATOM 813 CG1 ILE A 52 3.097 3.035 6.923 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.763 1.348 8.340 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.939 3.379 5.994 1.00 0.00 C ATOM 0 H ILE A 52 4.248 3.213 9.262 1.00 0.00 H new ATOM 0 HA ILE A 52 4.206 0.296 8.821 1.00 0.00 H new ATOM 0 HB ILE A 52 3.063 0.895 6.682 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.109 3.752 7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.031 3.161 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.894 1.556 7.715 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.731 0.311 8.673 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.752 2.008 9.207 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.055 4.400 5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.935 2.691 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.998 3.292 6.538 1.00 0.00 H new ATOM 827 N LYS A 53 5.680 0.447 6.548 1.00 0.00 N ATOM 828 CA LYS A 53 6.866 0.286 5.697 1.00 0.00 C ATOM 829 C LYS A 53 6.445 -0.055 4.260 1.00 0.00 C ATOM 830 O LYS A 53 5.936 -1.152 4.016 1.00 0.00 O ATOM 831 CB LYS A 53 7.784 -0.831 6.275 1.00 0.00 C ATOM 832 CG LYS A 53 8.984 -1.212 5.372 1.00 0.00 C ATOM 833 CD LYS A 53 9.743 -2.449 5.894 1.00 0.00 C ATOM 834 CE LYS A 53 10.795 -2.960 4.898 1.00 0.00 C ATOM 835 NZ LYS A 53 11.482 -4.173 5.395 1.00 0.00 N ATOM 0 H LYS A 53 4.913 -0.178 6.302 1.00 0.00 H new ATOM 0 HA LYS A 53 7.422 1.223 5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.164 -0.506 7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.182 -1.722 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.627 -1.408 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.670 -0.368 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.231 -2.200 6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.030 -3.246 6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.315 -3.180 3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.530 -2.177 4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.184 -4.486 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.961 -3.957 6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.784 -4.929 5.548 1.00 0.00 H new ATOM 849 N PHE A 54 6.630 0.890 3.324 1.00 0.00 N ATOM 850 CA PHE A 54 6.484 0.620 1.886 1.00 0.00 C ATOM 851 C PHE A 54 7.772 -0.017 1.355 1.00 0.00 C ATOM 852 O PHE A 54 8.877 0.437 1.680 1.00 0.00 O ATOM 853 CB PHE A 54 6.179 1.912 1.064 1.00 0.00 C ATOM 854 CG PHE A 54 4.945 2.678 1.526 1.00 0.00 C ATOM 855 CD1 PHE A 54 3.700 2.053 1.573 1.00 0.00 C ATOM 856 CD2 PHE A 54 5.020 4.016 1.903 1.00 0.00 C ATOM 857 CE1 PHE A 54 2.576 2.738 1.979 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.896 4.700 2.308 1.00 0.00 C ATOM 859 CZ PHE A 54 2.676 4.063 2.346 1.00 0.00 C ATOM 0 H PHE A 54 6.883 1.854 3.541 1.00 0.00 H new ATOM 0 HA PHE A 54 5.638 -0.056 1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.043 2.574 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.051 1.639 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.615 1.015 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.973 4.524 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.619 2.238 2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.971 5.738 2.596 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.796 4.602 2.664 1.00 0.00 H new ATOM 869 N ALA A 55 7.613 -1.083 0.567 1.00 0.00 N ATOM 870 CA ALA A 55 8.700 -1.646 -0.234 1.00 0.00 C ATOM 871 C ALA A 55 8.674 -0.925 -1.591 1.00 0.00 C ATOM 872 O ALA A 55 7.587 -0.723 -2.153 1.00 0.00 O ATOM 873 CB ALA A 55 8.538 -3.169 -0.396 1.00 0.00 C ATOM 0 H ALA A 55 6.727 -1.579 0.467 1.00 0.00 H new ATOM 0 HA ALA A 55 9.662 -1.496 0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.360 -3.561 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.547 -3.642 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.592 -3.383 -0.893 1.00 0.00 H new ATOM 879 N LEU A 56 9.861 -0.534 -2.093 1.00 0.00 N ATOM 880 CA LEU A 56 10.022 0.298 -3.311 1.00 0.00 C ATOM 881 C LEU A 56 9.303 -0.324 -4.538 1.00 0.00 C ATOM 882 O LEU A 56 8.753 0.409 -5.366 1.00 0.00 O ATOM 883 CB LEU A 56 11.553 0.524 -3.568 1.00 0.00 C ATOM 884 CG LEU A 56 11.991 1.744 -4.461 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.781 1.499 -5.965 1.00 0.00 C ATOM 886 CD2 LEU A 56 11.307 3.051 -3.993 1.00 0.00 C ATOM 0 H LEU A 56 10.750 -0.788 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 56 9.544 1.265 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.040 0.631 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.950 -0.382 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 56 13.067 1.857 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.102 2.377 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.367 0.635 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.725 1.311 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.628 3.877 -4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.225 2.940 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.586 3.258 -2.960 1.00 0.00 H new ATOM 898 N GLY A 57 9.272 -1.671 -4.602 1.00 0.00 N ATOM 899 CA GLY A 57 8.568 -2.393 -5.672 1.00 0.00 C ATOM 900 C GLY A 57 7.065 -2.108 -5.697 1.00 0.00 C ATOM 901 O GLY A 57 6.498 -1.802 -6.756 1.00 0.00 O ATOM 0 H GLY A 57 9.729 -2.278 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.000 -2.118 -6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.727 -3.464 -5.546 1.00 0.00 H new ATOM 905 N GLU A 58 6.440 -2.175 -4.499 1.00 0.00 N ATOM 906 CA GLU A 58 5.002 -1.863 -4.297 1.00 0.00 C ATOM 907 C GLU A 58 4.727 -0.386 -4.630 1.00 0.00 C ATOM 908 O GLU A 58 3.705 -0.044 -5.226 1.00 0.00 O ATOM 909 CB GLU A 58 4.584 -2.112 -2.816 1.00 0.00 C ATOM 910 CG GLU A 58 4.925 -3.505 -2.268 1.00 0.00 C ATOM 911 CD GLU A 58 4.639 -3.629 -0.757 1.00 0.00 C ATOM 912 OE1 GLU A 58 5.123 -2.777 0.019 1.00 0.00 O ATOM 913 OE2 GLU A 58 3.922 -4.561 -0.334 1.00 0.00 O ATOM 0 H GLU A 58 6.919 -2.448 -3.641 1.00 0.00 H new ATOM 0 HA GLU A 58 4.427 -2.514 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.067 -1.363 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.509 -1.957 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.347 -4.256 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.978 -3.718 -2.454 1.00 0.00 H new ATOM 920 N LEU A 59 5.695 0.462 -4.251 1.00 0.00 N ATOM 921 CA LEU A 59 5.587 1.915 -4.268 1.00 0.00 C ATOM 922 C LEU A 59 5.499 2.462 -5.710 1.00 0.00 C ATOM 923 O LEU A 59 4.770 3.423 -5.974 1.00 0.00 O ATOM 924 CB LEU A 59 6.815 2.478 -3.479 1.00 0.00 C ATOM 925 CG LEU A 59 6.644 3.834 -2.739 1.00 0.00 C ATOM 926 CD1 LEU A 59 6.804 5.049 -3.666 1.00 0.00 C ATOM 927 CD2 LEU A 59 5.300 3.889 -1.987 1.00 0.00 C ATOM 0 H LEU A 59 6.601 0.137 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 59 4.664 2.241 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.111 1.730 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.644 2.581 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 59 7.454 3.891 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.674 5.965 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.799 5.039 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.053 5.006 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.207 4.848 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.481 3.773 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.260 3.084 -1.253 1.00 0.00 H new ATOM 939 N GLN A 60 6.254 1.841 -6.634 1.00 0.00 N ATOM 940 CA GLN A 60 6.203 2.188 -8.074 1.00 0.00 C ATOM 941 C GLN A 60 4.888 1.736 -8.746 1.00 0.00 C ATOM 942 O GLN A 60 4.529 2.241 -9.817 1.00 0.00 O ATOM 943 CB GLN A 60 7.429 1.588 -8.811 1.00 0.00 C ATOM 944 CG GLN A 60 8.820 1.954 -8.217 1.00 0.00 C ATOM 945 CD GLN A 60 9.297 3.422 -8.365 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.411 4.409 -8.272 1.00 0.00 O flip ATOM 947 NE2 GLN A 60 10.491 3.671 -8.516 1.00 0.00 N flip ATOM 0 H GLN A 60 6.911 1.093 -6.412 1.00 0.00 H new ATOM 0 HA GLN A 60 6.235 3.275 -8.147 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.331 0.502 -8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.401 1.915 -9.850 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.807 1.710 -7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.565 1.309 -8.683 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.166 2.909 -8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.807 4.639 -8.571 1.00 0.00 H new ATOM 956 N LYS A 61 4.185 0.788 -8.105 1.00 0.00 N ATOM 957 CA LYS A 61 2.863 0.308 -8.570 1.00 0.00 C ATOM 958 C LYS A 61 1.736 1.219 -8.058 1.00 0.00 C ATOM 959 O LYS A 61 0.578 1.068 -8.473 1.00 0.00 O ATOM 960 CB LYS A 61 2.621 -1.155 -8.112 1.00 0.00 C ATOM 961 CG LYS A 61 3.644 -2.166 -8.663 1.00 0.00 C ATOM 962 CD LYS A 61 3.684 -2.208 -10.211 1.00 0.00 C ATOM 963 CE LYS A 61 4.683 -3.242 -10.747 1.00 0.00 C ATOM 964 NZ LYS A 61 4.707 -3.276 -12.227 1.00 0.00 N ATOM 0 H LYS A 61 4.511 0.331 -7.253 1.00 0.00 H new ATOM 0 HA LYS A 61 2.859 0.338 -9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.642 -1.191 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.622 -1.460 -8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.635 -1.913 -8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.404 -3.160 -8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.689 -2.439 -10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.949 -1.221 -10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.680 -3.010 -10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.422 -4.229 -10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.395 -3.988 -12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.762 -3.523 -12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.981 -2.341 -12.591 1.00 0.00 H new ATOM 978 N LEU A 62 2.075 2.168 -7.159 1.00 0.00 N ATOM 979 CA LEU A 62 1.099 3.109 -6.602 1.00 0.00 C ATOM 980 C LEU A 62 0.950 4.283 -7.566 1.00 0.00 C ATOM 981 O LEU A 62 1.724 5.225 -7.523 1.00 0.00 O ATOM 982 CB LEU A 62 1.494 3.565 -5.166 1.00 0.00 C ATOM 983 CG LEU A 62 1.730 2.415 -4.132 1.00 0.00 C ATOM 984 CD1 LEU A 62 1.848 2.961 -2.698 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.640 1.324 -4.222 1.00 0.00 C ATOM 0 H LEU A 62 3.024 2.297 -6.807 1.00 0.00 H new ATOM 0 HA LEU A 62 0.133 2.615 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.403 4.163 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.710 4.218 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 62 2.680 1.948 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.011 2.135 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.687 3.654 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.929 3.482 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.843 0.545 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.336 1.767 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.642 0.889 -5.221 1.00 0.00 H new ATOM 997 N LYS A 63 -0.023 4.149 -8.481 1.00 0.00 N ATOM 998 CA LYS A 63 -0.259 5.068 -9.609 1.00 0.00 C ATOM 999 C LYS A 63 -0.974 6.348 -9.128 1.00 0.00 C ATOM 1000 O LYS A 63 -0.804 7.416 -9.721 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.081 4.294 -10.701 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.112 4.893 -12.136 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.054 6.111 -12.311 1.00 0.00 C ATOM 1004 CE LYS A 63 -2.118 6.604 -13.766 1.00 0.00 C ATOM 1005 NZ LYS A 63 -0.770 6.873 -14.327 1.00 0.00 N ATOM 0 H LYS A 63 -0.688 3.376 -8.457 1.00 0.00 H new ATOM 0 HA LYS A 63 0.685 5.395 -10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.682 3.282 -10.768 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.109 4.209 -10.350 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.101 5.191 -12.412 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.416 4.113 -12.834 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.056 5.841 -11.978 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.713 6.924 -11.670 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.622 5.857 -14.379 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.718 7.513 -13.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.865 7.345 -15.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.240 7.488 -13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.259 5.975 -14.449 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.751 6.237 -8.040 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.561 7.352 -7.508 1.00 0.00 C ATOM 1021 C ASN A 64 -2.935 7.119 -6.030 1.00 0.00 C ATOM 1022 O ASN A 64 -2.532 6.118 -5.433 1.00 0.00 O ATOM 1023 CB ASN A 64 -3.822 7.608 -8.413 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.752 6.404 -8.659 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -5.950 6.568 -8.764 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -4.230 5.212 -8.839 1.00 0.00 N ATOM 0 H ASN A 64 -1.838 5.375 -7.502 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.956 8.258 -7.536 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.410 8.406 -7.959 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.478 7.976 -9.380 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.832 4.421 -9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.223 5.078 -8.750 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.692 8.078 -5.443 1.00 0.00 N ATOM 1034 CA VAL A 65 -4.124 8.062 -4.018 1.00 0.00 C ATOM 1035 C VAL A 65 -5.123 6.920 -3.760 1.00 0.00 C ATOM 1036 O VAL A 65 -5.297 6.494 -2.623 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.732 9.464 -3.585 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -5.300 9.468 -2.142 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.668 10.566 -3.720 1.00 0.00 C ATOM 0 H VAL A 65 -4.026 8.897 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.242 7.882 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.568 9.657 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.699 10.456 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.096 8.727 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.505 9.224 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.095 11.523 -3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.818 10.332 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.335 10.626 -4.756 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.749 6.418 -4.834 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.567 5.206 -4.767 1.00 0.00 C ATOM 1051 C GLY A 66 -5.720 3.993 -4.395 1.00 0.00 C ATOM 1052 O GLY A 66 -6.122 3.176 -3.566 1.00 0.00 O ATOM 0 H GLY A 66 -5.702 6.838 -5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.360 5.339 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.050 5.035 -5.729 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.508 3.929 -4.986 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.512 2.896 -4.665 1.00 0.00 C ATOM 1058 C ASP A 67 -2.952 3.100 -3.260 1.00 0.00 C ATOM 1059 O ASP A 67 -2.776 2.128 -2.547 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.353 2.870 -5.688 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.750 2.304 -7.056 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -3.106 1.109 -7.137 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -2.711 3.039 -8.052 1.00 0.00 O ATOM 0 H ASP A 67 -4.197 4.592 -5.696 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.026 1.936 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.974 3.884 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.535 2.275 -5.282 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.661 4.363 -2.864 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.214 4.686 -1.480 1.00 0.00 C ATOM 1070 C LEU A 68 -3.290 4.297 -0.453 1.00 0.00 C ATOM 1071 O LEU A 68 -2.971 3.826 0.627 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.844 6.204 -1.299 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.375 6.633 -1.614 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.640 5.823 -0.781 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.073 6.568 -3.129 1.00 0.00 C ATOM 0 H LEU A 68 -2.726 5.175 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.311 4.101 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.509 6.790 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.061 6.482 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.267 7.677 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.652 6.147 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.453 5.987 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.534 4.762 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.958 6.874 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.216 5.548 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.748 7.237 -3.664 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.562 4.490 -0.815 1.00 0.00 N ATOM 1088 CA ALA A 69 -5.705 4.210 0.065 1.00 0.00 C ATOM 1089 C ALA A 69 -5.718 2.725 0.453 1.00 0.00 C ATOM 1090 O ALA A 69 -5.635 2.374 1.636 1.00 0.00 O ATOM 1091 CB ALA A 69 -7.010 4.624 -0.630 1.00 0.00 C ATOM 0 H ALA A 69 -4.831 4.847 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.613 4.792 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.854 4.414 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.981 5.690 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.123 4.062 -1.557 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.738 1.884 -0.591 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.703 0.423 -0.455 1.00 0.00 C ATOM 1099 C ASP A 70 -4.406 -0.032 0.237 1.00 0.00 C ATOM 1100 O ASP A 70 -4.474 -0.763 1.200 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.851 -0.276 -1.835 1.00 0.00 C ATOM 1102 CG ASP A 70 -7.266 -0.126 -2.421 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -8.188 -0.827 -1.951 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -7.471 0.698 -3.331 1.00 0.00 O ATOM 0 H ASP A 70 -5.779 2.202 -1.559 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.550 0.131 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.126 0.145 -2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.615 -1.335 -1.730 1.00 0.00 H new ATOM 1109 N LEU A 71 -3.248 0.488 -0.218 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.904 -0.017 0.179 1.00 0.00 C ATOM 1111 C LEU A 71 -1.588 0.295 1.659 1.00 0.00 C ATOM 1112 O LEU A 71 -1.150 -0.597 2.396 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.798 0.543 -0.781 1.00 0.00 C ATOM 1114 CG LEU A 71 0.515 -0.307 -0.971 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.437 -0.270 0.250 1.00 0.00 C ATOM 1116 CD2 LEU A 71 0.189 -1.756 -1.377 1.00 0.00 C ATOM 0 H LEU A 71 -3.211 1.270 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.913 -1.103 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.249 0.685 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.508 1.529 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 71 1.066 0.163 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.323 -0.875 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.736 0.759 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.909 -0.668 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.116 -2.317 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.417 -2.224 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.362 -1.755 -2.317 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.797 1.559 2.077 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.642 1.977 3.492 1.00 0.00 C ATOM 1130 C VAL A 72 -2.578 1.151 4.397 1.00 0.00 C ATOM 1131 O VAL A 72 -2.182 0.733 5.484 1.00 0.00 O ATOM 1132 CB VAL A 72 -1.908 3.527 3.680 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -1.864 3.953 5.176 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -0.897 4.369 2.846 1.00 0.00 C ATOM 0 H VAL A 72 -2.076 2.316 1.453 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.609 1.788 3.783 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.916 3.723 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.052 5.024 5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.627 3.409 5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.882 3.725 5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.100 5.430 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.119 4.146 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.001 4.121 1.790 1.00 0.00 H new ATOM 1144 N ASP A 73 -3.800 0.873 3.899 1.00 0.00 N ATOM 1145 CA ASP A 73 -4.802 0.063 4.623 1.00 0.00 C ATOM 1146 C ASP A 73 -4.381 -1.428 4.674 1.00 0.00 C ATOM 1147 O ASP A 73 -4.685 -2.127 5.639 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.183 0.220 3.951 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.346 -0.340 4.787 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -7.846 0.374 5.688 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -7.766 -1.493 4.560 1.00 0.00 O ATOM 0 H ASP A 73 -4.119 1.202 2.988 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.865 0.422 5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.364 1.277 3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.166 -0.284 2.985 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.659 -1.887 3.630 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.081 -3.255 3.587 1.00 0.00 C ATOM 1158 C LYS A 74 -2.007 -3.382 4.676 1.00 0.00 C ATOM 1159 O LYS A 74 -1.875 -4.432 5.301 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.473 -3.606 2.189 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.493 -3.695 1.022 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.584 -4.779 1.221 1.00 0.00 C ATOM 1163 CE LYS A 74 -4.023 -6.211 1.167 1.00 0.00 C ATOM 1164 NZ LYS A 74 -5.067 -7.235 1.414 1.00 0.00 N ATOM 0 H LYS A 74 -3.459 -1.330 2.799 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.889 -3.964 3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.725 -2.854 1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.952 -4.560 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.976 -2.726 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.955 -3.901 0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.074 -4.622 2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.348 -4.664 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.571 -6.385 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.231 -6.317 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.641 -8.183 1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.482 -7.088 2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.811 -7.154 0.692 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.272 -2.275 4.906 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.248 -2.186 5.958 1.00 0.00 C ATOM 1180 C LYS A 75 -0.912 -2.187 7.349 1.00 0.00 C ATOM 1181 O LYS A 75 -0.411 -2.830 8.272 1.00 0.00 O ATOM 1182 CB LYS A 75 0.611 -0.905 5.775 1.00 0.00 C ATOM 1183 CG LYS A 75 1.377 -0.821 4.437 1.00 0.00 C ATOM 1184 CD LYS A 75 2.417 -1.952 4.270 1.00 0.00 C ATOM 1185 CE LYS A 75 3.120 -1.906 2.906 1.00 0.00 C ATOM 1186 NZ LYS A 75 4.154 -2.954 2.785 1.00 0.00 N ATOM 0 H LYS A 75 -1.375 -1.417 4.364 1.00 0.00 H new ATOM 0 HA LYS A 75 0.405 -3.055 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.039 -0.034 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.330 -0.847 6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.665 -0.864 3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.882 0.143 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.162 -1.876 5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.923 -2.916 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.383 -2.030 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.577 -0.927 2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.413 -3.072 1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.995 -2.677 3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.783 -3.852 3.155 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.059 -1.478 7.467 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.861 -1.411 8.717 1.00 0.00 C ATOM 1202 C LEU A 76 -3.514 -2.779 9.024 1.00 0.00 C ATOM 1203 O LEU A 76 -3.750 -3.112 10.191 1.00 0.00 O ATOM 1204 CB LEU A 76 -3.939 -0.292 8.612 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.403 1.168 8.414 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.564 2.184 8.290 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.405 1.572 9.533 1.00 0.00 C ATOM 0 H LEU A 76 -2.457 -0.936 6.700 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.192 -1.166 9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.600 -0.530 7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.546 -0.315 9.517 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.852 1.186 7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.158 3.186 8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.185 1.924 7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.169 2.158 9.197 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.057 2.590 9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.903 1.519 10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.554 0.891 9.525 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.790 -3.555 7.962 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.271 -4.945 8.069 1.00 0.00 C ATOM 1221 C ALA A 77 -3.113 -5.878 8.469 1.00 0.00 C ATOM 1222 O ALA A 77 -3.314 -6.864 9.177 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.914 -5.393 6.745 1.00 0.00 C ATOM 0 H ALA A 77 -3.685 -3.235 6.999 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.033 -4.998 8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.264 -6.421 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.757 -4.743 6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.177 -5.333 5.944 1.00 0.00 H new ATOM 1229 N ARG A 78 -1.886 -5.540 8.014 1.00 0.00 N ATOM 1230 CA ARG A 78 -0.656 -6.255 8.427 1.00 0.00 C ATOM 1231 C ARG A 78 -0.258 -5.891 9.870 1.00 0.00 C ATOM 1232 O ARG A 78 0.607 -6.553 10.450 1.00 0.00 O ATOM 1233 CB ARG A 78 0.533 -5.976 7.459 1.00 0.00 C ATOM 1234 CG ARG A 78 0.369 -6.552 6.029 1.00 0.00 C ATOM 1235 CD ARG A 78 0.024 -8.063 6.016 1.00 0.00 C ATOM 1236 NE ARG A 78 0.943 -8.859 6.863 1.00 0.00 N ATOM 1237 CZ ARG A 78 1.814 -9.781 6.440 1.00 0.00 C ATOM 1238 NH1 ARG A 78 2.011 -9.998 5.154 1.00 0.00 N ATOM 1239 NH2 ARG A 78 2.516 -10.458 7.323 1.00 0.00 N ATOM 0 H ARG A 78 -1.720 -4.775 7.360 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.883 -7.320 8.383 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.675 -4.898 7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.442 -6.388 7.897 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.416 -6.002 5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.292 -6.392 5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.999 -8.202 6.364 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.065 -8.434 4.992 1.00 0.00 H new ATOM 0 HE ARG A 78 0.908 -8.687 7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.494 -9.457 4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.680 -10.706 4.853 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.393 -10.277 8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.183 -11.164 7.011 1.00 0.00 H new ATOM 1253 N LYS A 79 -0.853 -4.807 10.420 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.695 -4.453 11.841 1.00 0.00 C ATOM 1255 C LYS A 79 -1.704 -5.235 12.700 1.00 0.00 C ATOM 1256 O LYS A 79 -1.321 -6.189 13.390 1.00 0.00 O ATOM 1257 CB LYS A 79 -0.880 -2.916 12.061 1.00 0.00 C ATOM 1258 CG LYS A 79 0.128 -2.023 11.307 1.00 0.00 C ATOM 1259 CD LYS A 79 1.596 -2.337 11.670 1.00 0.00 C ATOM 1260 CE LYS A 79 2.602 -1.448 10.919 1.00 0.00 C ATOM 1261 NZ LYS A 79 3.989 -1.702 11.374 1.00 0.00 N ATOM 0 H LYS A 79 -1.447 -4.164 9.896 1.00 0.00 H new ATOM 0 HA LYS A 79 0.316 -4.722 12.146 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.888 -2.639 11.754 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.802 -2.705 13.128 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.011 -2.152 10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.081 -0.977 11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.735 -2.208 12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.805 -3.383 11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.528 -1.636 9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.352 -0.399 11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.591 -0.892 11.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.997 -1.833 12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.354 -2.560 10.913 1.00 0.00 H new