USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.108 (180deg=-0.00451) USER MOD Single : A 2 THR OG1 : rot 148:sc= 0.64 USER MOD Single : A 3 SER OG : rot 10:sc= 1.05 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.276 F(o=-2!,f=-0.28) USER MOD Single : A 17 ASN : amide:sc= 0.572 K(o=0.57,f=-3.8!) USER MOD Single : A 18 HIS : no HD1:sc= -0.065 X(o=-0.065,f=0.0061) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0.407 USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= -0.0184 (180deg=-0.187) USER MOD Single : A 33 GLN : amide:sc= -0.021 K(o=-0.021,f=-1.2) USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 1.39 (180deg=-1.31!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= -0.0539 (180deg=-0.301) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0575) USER MOD Single : A 47 CYS SG : rot -59:sc= -1.33 USER MOD Single : A 50 TYR OH : rot -25:sc= 0.537 USER MOD Single : A 56 THR OG1 : rot 6:sc= 1.14 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -40:sc= 0.0201 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.164 -6.362 -6.158 1.00 0.00 N ATOM 2 CA MET A 1 6.744 -5.964 -5.911 1.00 0.00 C ATOM 3 C MET A 1 5.812 -7.155 -6.126 1.00 0.00 C ATOM 4 O MET A 1 6.253 -8.278 -6.350 1.00 0.00 O ATOM 5 CB MET A 1 6.344 -4.811 -6.841 1.00 0.00 C ATOM 6 CG MET A 1 6.291 -5.187 -8.320 1.00 0.00 C ATOM 7 SD MET A 1 5.748 -3.824 -9.373 1.00 0.00 S ATOM 8 CE MET A 1 5.746 -4.622 -10.968 1.00 0.00 C ATOM 0 H1 MET A 1 8.722 -6.211 -5.294 1.00 0.00 H new ATOM 0 H2 MET A 1 8.202 -7.367 -6.423 1.00 0.00 H new ATOM 0 H3 MET A 1 8.557 -5.786 -6.929 1.00 0.00 H new ATOM 0 HA MET A 1 6.655 -5.630 -4.877 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.366 -4.438 -6.538 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.052 -3.993 -6.711 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.279 -5.516 -8.642 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.615 -6.032 -8.451 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.431 -3.910 -11.731 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.750 -4.980 -11.197 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.055 -5.465 -10.952 1.00 0.00 H new ATOM 20 N THR A 2 4.508 -6.892 -6.046 1.00 0.00 N ATOM 21 CA THR A 2 3.507 -7.903 -6.305 1.00 0.00 C ATOM 22 C THR A 2 3.160 -7.972 -7.795 1.00 0.00 C ATOM 23 O THR A 2 3.567 -7.106 -8.559 1.00 0.00 O ATOM 24 CB THR A 2 2.216 -7.614 -5.506 1.00 0.00 C ATOM 25 OG1 THR A 2 1.822 -6.238 -5.671 1.00 0.00 O ATOM 26 CG2 THR A 2 2.411 -7.927 -4.034 1.00 0.00 C ATOM 0 H THR A 2 4.127 -5.978 -5.801 1.00 0.00 H new ATOM 0 HA THR A 2 3.927 -8.858 -5.990 1.00 0.00 H new ATOM 0 HB THR A 2 1.426 -8.257 -5.893 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.845 -6.171 -5.636 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.489 -7.716 -3.492 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.668 -8.980 -3.917 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.216 -7.310 -3.634 1.00 0.00 H new ATOM 34 N SER A 3 2.454 -9.035 -8.155 1.00 0.00 N ATOM 35 CA SER A 3 1.994 -9.269 -9.533 1.00 0.00 C ATOM 36 C SER A 3 3.143 -9.319 -10.546 1.00 0.00 C ATOM 37 O SER A 3 3.491 -8.322 -11.189 1.00 0.00 O ATOM 38 CB SER A 3 0.921 -8.231 -9.964 1.00 0.00 C ATOM 39 OG SER A 3 1.400 -6.890 -9.921 1.00 0.00 O ATOM 0 H SER A 3 2.178 -9.768 -7.502 1.00 0.00 H new ATOM 0 HA SER A 3 1.532 -10.256 -9.531 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.587 -8.460 -10.976 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.052 -8.322 -9.313 1.00 0.00 H new ATOM 0 HG SER A 3 2.369 -6.893 -9.774 1.00 0.00 H new ATOM 45 N VAL A 4 3.763 -10.490 -10.650 1.00 0.00 N ATOM 46 CA VAL A 4 4.781 -10.740 -11.649 1.00 0.00 C ATOM 47 C VAL A 4 4.132 -11.447 -12.840 1.00 0.00 C ATOM 48 O VAL A 4 4.583 -11.361 -13.982 1.00 0.00 O ATOM 49 CB VAL A 4 5.939 -11.612 -11.092 1.00 0.00 C ATOM 50 CG1 VAL A 4 7.032 -11.808 -12.133 1.00 0.00 C ATOM 51 CG2 VAL A 4 6.503 -10.978 -9.829 1.00 0.00 C ATOM 0 H VAL A 4 3.570 -11.287 -10.043 1.00 0.00 H new ATOM 0 HA VAL A 4 5.209 -9.785 -11.952 1.00 0.00 H new ATOM 0 HB VAL A 4 5.541 -12.597 -10.846 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.828 -12.422 -11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.615 -12.304 -13.010 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.436 -10.838 -12.423 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.315 -11.595 -9.444 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.882 -9.982 -10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.717 -10.902 -9.078 1.00 0.00 H new ATOM 61 N PHE A 5 3.032 -12.115 -12.537 1.00 0.00 N ATOM 62 CA PHE A 5 2.233 -12.824 -13.536 1.00 0.00 C ATOM 63 C PHE A 5 0.839 -13.007 -12.960 1.00 0.00 C ATOM 64 O PHE A 5 -0.179 -12.943 -13.667 1.00 0.00 O ATOM 65 CB PHE A 5 2.869 -14.176 -13.894 1.00 0.00 C ATOM 66 CG PHE A 5 3.018 -15.127 -12.737 1.00 0.00 C ATOM 67 CD1 PHE A 5 4.069 -15.003 -11.855 1.00 0.00 C ATOM 68 CD2 PHE A 5 2.105 -16.155 -12.545 1.00 0.00 C ATOM 69 CE1 PHE A 5 4.212 -15.879 -10.797 1.00 0.00 C ATOM 70 CE2 PHE A 5 2.246 -17.029 -11.491 1.00 0.00 C ATOM 71 CZ PHE A 5 3.297 -16.891 -10.620 1.00 0.00 C ATOM 0 H PHE A 5 2.662 -12.184 -11.589 1.00 0.00 H new ATOM 0 HA PHE A 5 2.185 -12.249 -14.461 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.264 -14.654 -14.664 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.853 -13.996 -14.328 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.790 -14.211 -11.993 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.277 -16.270 -13.229 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.039 -15.770 -10.111 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.529 -17.824 -11.350 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.406 -17.578 -9.794 1.00 0.00 H new ATOM 81 N ASP A 6 0.793 -13.231 -11.657 1.00 0.00 N ATOM 82 CA ASP A 6 -0.423 -13.251 -10.891 1.00 0.00 C ATOM 83 C ASP A 6 -0.791 -11.839 -10.481 1.00 0.00 C ATOM 84 O ASP A 6 -0.250 -10.863 -11.017 1.00 0.00 O ATOM 85 CB ASP A 6 -0.203 -14.099 -9.627 1.00 0.00 C ATOM 86 CG ASP A 6 0.841 -13.472 -8.720 1.00 0.00 C ATOM 87 OD1 ASP A 6 1.990 -13.272 -9.166 1.00 0.00 O ATOM 88 OD2 ASP A 6 0.494 -13.136 -7.564 1.00 0.00 O ATOM 0 H ASP A 6 1.627 -13.408 -11.097 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.226 -13.675 -11.493 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.144 -14.201 -9.086 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.113 -15.103 -9.910 1.00 0.00 H new ATOM 93 N ARG A 7 -1.678 -11.725 -9.514 1.00 0.00 N ATOM 94 CA ARG A 7 -1.958 -10.434 -8.884 1.00 0.00 C ATOM 95 C ARG A 7 -2.625 -10.666 -7.532 1.00 0.00 C ATOM 96 O ARG A 7 -3.841 -10.812 -7.437 1.00 0.00 O ATOM 97 CB ARG A 7 -2.840 -9.536 -9.767 1.00 0.00 C ATOM 98 CG ARG A 7 -2.850 -8.101 -9.296 1.00 0.00 C ATOM 99 CD ARG A 7 -3.685 -7.218 -10.220 1.00 0.00 C ATOM 100 NE ARG A 7 -3.443 -5.793 -9.972 1.00 0.00 N ATOM 101 CZ ARG A 7 -4.006 -4.817 -10.687 1.00 0.00 C ATOM 102 NH1 ARG A 7 -4.872 -5.083 -11.652 1.00 0.00 N ATOM 103 NH2 ARG A 7 -3.697 -3.543 -10.431 1.00 0.00 N ATOM 0 H ARG A 7 -2.221 -12.504 -9.142 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.010 -9.913 -8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.481 -9.576 -10.795 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.859 -9.922 -9.770 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.250 -8.052 -8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.829 -7.723 -9.254 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.449 -7.452 -11.258 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.743 -7.438 -10.076 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.812 -5.535 -9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.121 -6.050 -11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.290 -4.321 -12.186 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.032 -3.318 -9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.126 -2.795 -10.976 1.00 0.00 H new ATOM 117 N ASP A 8 -1.807 -10.696 -6.492 1.00 0.00 N ATOM 118 CA ASP A 8 -2.281 -11.025 -5.159 1.00 0.00 C ATOM 119 C ASP A 8 -2.633 -9.779 -4.362 1.00 0.00 C ATOM 120 O ASP A 8 -3.782 -9.556 -3.984 1.00 0.00 O ATOM 121 CB ASP A 8 -1.228 -11.844 -4.406 1.00 0.00 C ATOM 122 CG ASP A 8 -1.686 -12.216 -2.996 1.00 0.00 C ATOM 123 OD1 ASP A 8 -2.453 -13.196 -2.851 1.00 0.00 O ATOM 124 OD2 ASP A 8 -1.299 -11.524 -2.037 1.00 0.00 O ATOM 0 H ASP A 8 -0.808 -10.496 -6.547 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.188 -11.618 -5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.008 -12.753 -4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.301 -11.274 -4.347 1.00 0.00 H new ATOM 129 N ASP A 9 -1.620 -8.975 -4.098 1.00 0.00 N ATOM 130 CA ASP A 9 -1.780 -7.822 -3.237 1.00 0.00 C ATOM 131 C ASP A 9 -1.597 -6.526 -4.018 1.00 0.00 C ATOM 132 O ASP A 9 -0.686 -6.418 -4.846 1.00 0.00 O ATOM 133 CB ASP A 9 -0.752 -7.866 -2.092 1.00 0.00 C ATOM 134 CG ASP A 9 -0.911 -6.746 -1.085 1.00 0.00 C ATOM 135 OD1 ASP A 9 -2.024 -6.617 -0.517 1.00 0.00 O ATOM 136 OD2 ASP A 9 0.078 -6.030 -0.806 1.00 0.00 O ATOM 0 H ASP A 9 -0.678 -9.101 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.790 -7.851 -2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.838 -8.822 -1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.252 -7.822 -2.515 1.00 0.00 H new ATOM 141 N ILE A 10 -2.469 -5.578 -3.773 1.00 0.00 N ATOM 142 CA ILE A 10 -2.372 -4.270 -4.411 1.00 0.00 C ATOM 143 C ILE A 10 -1.570 -3.314 -3.531 1.00 0.00 C ATOM 144 O ILE A 10 -1.160 -3.679 -2.442 1.00 0.00 O ATOM 145 CB ILE A 10 -3.751 -3.675 -4.709 1.00 0.00 C ATOM 146 CG1 ILE A 10 -4.643 -3.685 -3.469 1.00 0.00 C ATOM 147 CG2 ILE A 10 -4.450 -4.426 -5.835 1.00 0.00 C ATOM 148 CD1 ILE A 10 -5.979 -2.997 -3.654 1.00 0.00 C ATOM 0 H ILE A 10 -3.259 -5.680 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.859 -4.407 -5.363 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.586 -2.643 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.819 -4.719 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.110 -3.203 -2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.426 -3.977 -6.020 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.846 -4.368 -6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.579 -5.470 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.548 -3.051 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.817 -1.953 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.536 -3.492 -4.450 1.00 0.00 H new ATOM 160 N GLN A 11 -1.377 -2.087 -3.994 1.00 0.00 N ATOM 161 CA GLN A 11 -0.545 -1.151 -3.243 1.00 0.00 C ATOM 162 C GLN A 11 -1.383 -0.115 -2.513 1.00 0.00 C ATOM 163 O GLN A 11 -2.412 0.346 -3.002 1.00 0.00 O ATOM 164 CB GLN A 11 0.452 -0.457 -4.168 1.00 0.00 C ATOM 165 CG GLN A 11 1.478 -1.393 -4.769 1.00 0.00 C ATOM 166 CD GLN A 11 2.621 -0.655 -5.453 1.00 0.00 C ATOM 167 OE1 GLN A 11 2.538 -0.368 -6.647 1.00 0.00 O ATOM 168 NE2 GLN A 11 3.671 -0.366 -4.707 1.00 0.00 N ATOM 0 H GLN A 11 -1.771 -1.721 -4.861 1.00 0.00 H new ATOM 0 HA GLN A 11 0.001 -1.729 -2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.094 0.034 -4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.969 0.324 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.883 -2.033 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.988 -2.045 -5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.684 -0.629 -3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.469 0.120 -5.116 1.00 0.00 H new ATOM 177 N PHE A 12 -0.920 0.256 -1.334 1.00 0.00 N ATOM 178 CA PHE A 12 -1.640 1.169 -0.473 1.00 0.00 C ATOM 179 C PHE A 12 -0.746 2.312 -0.013 1.00 0.00 C ATOM 180 O PHE A 12 0.449 2.379 -0.336 1.00 0.00 O ATOM 181 CB PHE A 12 -2.201 0.429 0.753 1.00 0.00 C ATOM 182 CG PHE A 12 -3.311 -0.543 0.461 1.00 0.00 C ATOM 183 CD1 PHE A 12 -3.026 -1.853 0.154 1.00 0.00 C ATOM 184 CD2 PHE A 12 -4.632 -0.139 0.498 1.00 0.00 C ATOM 185 CE1 PHE A 12 -4.038 -2.760 -0.115 1.00 0.00 C ATOM 186 CE2 PHE A 12 -5.649 -1.037 0.231 1.00 0.00 C ATOM 187 CZ PHE A 12 -5.350 -2.349 -0.075 1.00 0.00 C ATOM 0 H PHE A 12 -0.033 -0.069 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.466 1.583 -1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.386 -0.109 1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.564 1.167 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.997 -2.180 0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.872 0.886 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.798 -3.785 -0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.678 -0.711 0.262 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.144 -3.051 -0.282 1.00 0.00 H new ATOM 197 N GLN A 13 -1.345 3.224 0.739 1.00 0.00 N ATOM 198 CA GLN A 13 -0.642 4.329 1.353 1.00 0.00 C ATOM 199 C GLN A 13 -1.195 4.519 2.756 1.00 0.00 C ATOM 200 O GLN A 13 -2.285 4.005 3.062 1.00 0.00 O ATOM 201 CB GLN A 13 -0.805 5.602 0.532 1.00 0.00 C ATOM 202 CG GLN A 13 -2.162 6.254 0.670 1.00 0.00 C ATOM 203 CD GLN A 13 -2.366 7.416 -0.292 1.00 0.00 C ATOM 204 OE1 GLN A 13 -2.969 7.139 -1.411 1.00 0.00 O flip ATOM 205 NE2 GLN A 13 -2.005 8.553 0.019 1.00 0.00 N flip ATOM 0 H GLN A 13 -2.345 3.213 0.939 1.00 0.00 H new ATOM 0 HA GLN A 13 0.425 4.110 1.398 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.038 6.316 0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.630 5.369 -0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.937 5.507 0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.285 6.611 1.693 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.536 8.713 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.176 9.334 -0.615 1.00 0.00 H new ATOM 214 N VAL A 14 -0.486 5.251 3.591 1.00 0.00 N ATOM 215 CA VAL A 14 -0.967 5.523 4.942 1.00 0.00 C ATOM 216 C VAL A 14 -1.461 6.962 5.019 1.00 0.00 C ATOM 217 O VAL A 14 -0.746 7.882 4.653 1.00 0.00 O ATOM 218 CB VAL A 14 0.131 5.298 5.974 1.00 0.00 C ATOM 219 CG1 VAL A 14 -0.394 5.551 7.387 1.00 0.00 C ATOM 220 CG2 VAL A 14 0.709 3.901 5.856 1.00 0.00 C ATOM 0 H VAL A 14 0.418 5.668 3.367 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.784 4.836 5.164 1.00 0.00 H new ATOM 0 HB VAL A 14 0.932 6.011 5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.407 5.385 8.108 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.745 6.580 7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.218 4.869 7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.491 3.766 6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.079 3.166 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.132 3.765 4.861 1.00 0.00 H new ATOM 230 N VAL A 15 -2.685 7.156 5.470 1.00 0.00 N ATOM 231 CA VAL A 15 -3.246 8.485 5.573 1.00 0.00 C ATOM 232 C VAL A 15 -3.525 8.844 7.026 1.00 0.00 C ATOM 233 O VAL A 15 -3.920 7.993 7.823 1.00 0.00 O ATOM 234 CB VAL A 15 -4.545 8.656 4.742 1.00 0.00 C ATOM 235 CG1 VAL A 15 -4.238 8.543 3.256 1.00 0.00 C ATOM 236 CG2 VAL A 15 -5.597 7.620 5.159 1.00 0.00 C ATOM 0 H VAL A 15 -3.309 6.408 5.771 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.498 9.163 5.162 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.953 9.648 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.158 8.665 2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.528 9.319 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.808 7.564 3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.500 7.758 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.204 6.616 4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.836 7.748 6.215 1.00 0.00 H new ATOM 246 N VAL A 16 -3.313 10.106 7.347 1.00 0.00 N ATOM 247 CA VAL A 16 -3.579 10.618 8.683 1.00 0.00 C ATOM 248 C VAL A 16 -4.557 11.779 8.588 1.00 0.00 C ATOM 249 O VAL A 16 -4.472 12.591 7.659 1.00 0.00 O ATOM 250 CB VAL A 16 -2.286 11.061 9.409 1.00 0.00 C ATOM 251 CG1 VAL A 16 -1.678 12.291 8.737 1.00 0.00 C ATOM 252 CG2 VAL A 16 -2.538 11.306 10.882 1.00 0.00 C ATOM 0 H VAL A 16 -2.954 10.804 6.695 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.013 9.811 9.274 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.564 10.248 9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.770 12.583 9.265 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.435 12.057 7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.394 13.112 8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.610 11.616 11.363 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.286 12.090 10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.899 10.389 11.347 1.00 0.00 H new ATOM 262 N ASN A 17 -5.492 11.860 9.515 1.00 0.00 N ATOM 263 CA ASN A 17 -6.415 12.974 9.527 1.00 0.00 C ATOM 264 C ASN A 17 -5.876 14.051 10.446 1.00 0.00 C ATOM 265 O ASN A 17 -4.924 13.819 11.201 1.00 0.00 O ATOM 266 CB ASN A 17 -7.810 12.535 9.984 1.00 0.00 C ATOM 267 CG ASN A 17 -8.858 13.628 9.802 1.00 0.00 C ATOM 268 OD1 ASN A 17 -8.727 14.480 8.923 1.00 0.00 O ATOM 269 ND2 ASN A 17 -9.890 13.626 10.616 1.00 0.00 N ATOM 0 H ASN A 17 -5.631 11.177 10.260 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.509 13.365 8.514 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.111 11.651 9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.770 12.246 11.034 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.610 14.344 10.529 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.971 12.907 11.335 1.00 0.00 H new ATOM 276 N HIS A 18 -6.461 15.245 10.400 1.00 0.00 N ATOM 277 CA HIS A 18 -6.016 16.358 11.239 1.00 0.00 C ATOM 278 C HIS A 18 -6.351 16.089 12.708 1.00 0.00 C ATOM 279 O HIS A 18 -6.067 16.924 13.580 1.00 0.00 O ATOM 280 CB HIS A 18 -6.647 17.667 10.759 1.00 0.00 C ATOM 281 CG HIS A 18 -6.206 18.053 9.388 1.00 0.00 C ATOM 282 ND1 HIS A 18 -5.223 18.989 9.155 1.00 0.00 N ATOM 283 CD2 HIS A 18 -6.623 17.635 8.166 1.00 0.00 C ATOM 284 CE1 HIS A 18 -5.051 19.116 7.858 1.00 0.00 C ATOM 285 NE2 HIS A 18 -5.889 18.315 7.242 1.00 0.00 N ATOM 0 H HIS A 18 -7.247 15.469 9.789 1.00 0.00 H new ATOM 0 HA HIS A 18 -4.933 16.452 11.155 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.732 17.568 10.772 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.391 18.465 11.456 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.391 16.903 7.965 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.338 19.771 7.379 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.977 18.217 6.230 1.00 0.00 H new ATOM 294 N GLU A 19 -6.966 14.950 12.965 1.00 0.00 N ATOM 295 CA GLU A 19 -7.237 14.492 14.321 1.00 0.00 C ATOM 296 C GLU A 19 -6.096 13.628 14.824 1.00 0.00 C ATOM 297 O GLU A 19 -6.168 13.046 15.896 1.00 0.00 O ATOM 298 CB GLU A 19 -8.549 13.703 14.359 1.00 0.00 C ATOM 299 CG GLU A 19 -9.732 14.471 13.789 1.00 0.00 C ATOM 300 CD GLU A 19 -10.941 13.583 13.569 1.00 0.00 C ATOM 301 OE1 GLU A 19 -10.822 12.579 12.847 1.00 0.00 O ATOM 302 OE2 GLU A 19 -12.033 13.927 14.081 1.00 0.00 O ATOM 0 H GLU A 19 -7.294 14.312 12.240 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.329 15.363 14.970 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.423 12.776 13.799 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.768 13.426 15.390 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.998 15.281 14.468 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.443 14.929 12.843 1.00 0.00 H new ATOM 309 N GLU A 20 -5.011 13.562 14.028 1.00 0.00 N ATOM 310 CA GLU A 20 -3.821 12.772 14.354 1.00 0.00 C ATOM 311 C GLU A 20 -4.162 11.291 14.510 1.00 0.00 C ATOM 312 O GLU A 20 -3.577 10.585 15.337 1.00 0.00 O ATOM 313 CB GLU A 20 -3.139 13.329 15.617 1.00 0.00 C ATOM 314 CG GLU A 20 -1.680 12.877 15.792 1.00 0.00 C ATOM 315 CD GLU A 20 -0.803 13.184 14.603 1.00 0.00 C ATOM 316 OE1 GLU A 20 -0.509 14.371 14.369 1.00 0.00 O ATOM 317 OE2 GLU A 20 -0.399 12.243 13.899 1.00 0.00 O ATOM 0 H GLU A 20 -4.941 14.059 13.140 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.119 12.853 13.524 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.169 14.418 15.583 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.711 13.021 16.492 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.262 13.361 16.675 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.661 11.803 15.978 1.00 0.00 H new ATOM 324 N GLN A 21 -5.098 10.824 13.714 1.00 0.00 N ATOM 325 CA GLN A 21 -5.418 9.407 13.667 1.00 0.00 C ATOM 326 C GLN A 21 -5.116 8.854 12.273 1.00 0.00 C ATOM 327 O GLN A 21 -5.292 9.548 11.265 1.00 0.00 O ATOM 328 CB GLN A 21 -6.878 9.156 14.056 1.00 0.00 C ATOM 329 CG GLN A 21 -7.896 9.849 13.174 1.00 0.00 C ATOM 330 CD GLN A 21 -9.331 9.594 13.647 1.00 0.00 C ATOM 331 OE1 GLN A 21 -9.582 9.427 14.836 1.00 0.00 O ATOM 332 NE2 GLN A 21 -10.261 9.558 12.713 1.00 0.00 N ATOM 0 H GLN A 21 -5.655 11.404 13.087 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.795 8.885 14.393 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.067 8.083 14.032 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.027 9.483 15.085 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.701 10.921 13.168 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.785 9.499 12.148 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.008 9.702 11.735 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.234 9.386 12.968 1.00 0.00 H new ATOM 341 N TYR A 22 -4.641 7.631 12.241 1.00 0.00 N ATOM 342 CA TYR A 22 -4.178 7.017 11.007 1.00 0.00 C ATOM 343 C TYR A 22 -5.185 6.008 10.449 1.00 0.00 C ATOM 344 O TYR A 22 -5.984 5.426 11.197 1.00 0.00 O ATOM 345 CB TYR A 22 -2.845 6.314 11.226 1.00 0.00 C ATOM 346 CG TYR A 22 -1.668 7.243 11.413 1.00 0.00 C ATOM 347 CD1 TYR A 22 -1.440 7.896 12.633 1.00 0.00 C ATOM 348 CD2 TYR A 22 -0.776 7.458 10.381 1.00 0.00 C ATOM 349 CE1 TYR A 22 -0.361 8.730 12.803 1.00 0.00 C ATOM 350 CE2 TYR A 22 0.319 8.297 10.542 1.00 0.00 C ATOM 351 CZ TYR A 22 0.519 8.932 11.759 1.00 0.00 C ATOM 352 OH TYR A 22 1.597 9.763 11.909 1.00 0.00 O ATOM 0 H TYR A 22 -4.562 7.031 13.062 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.062 7.823 10.282 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.927 5.672 12.103 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.647 5.665 10.373 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.125 7.741 13.454 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.933 6.965 9.433 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.202 9.225 13.750 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.009 8.454 9.726 1.00 0.00 H new ATOM 0 HH TYR A 22 2.110 9.787 11.074 1.00 0.00 H new ATOM 362 N SER A 23 -5.124 5.811 9.139 1.00 0.00 N ATOM 363 CA SER A 23 -5.924 4.826 8.455 1.00 0.00 C ATOM 364 C SER A 23 -5.201 4.419 7.179 1.00 0.00 C ATOM 365 O SER A 23 -4.179 5.030 6.837 1.00 0.00 O ATOM 366 CB SER A 23 -7.313 5.384 8.140 1.00 0.00 C ATOM 367 OG SER A 23 -8.206 4.362 7.746 1.00 0.00 O ATOM 0 H SER A 23 -4.508 6.341 8.522 1.00 0.00 H new ATOM 0 HA SER A 23 -6.060 3.952 9.093 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.708 5.895 9.018 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.236 6.127 7.346 1.00 0.00 H new ATOM 0 HG SER A 23 -9.085 4.751 7.554 1.00 0.00 H new ATOM 373 N ILE A 24 -5.720 3.426 6.459 1.00 0.00 N ATOM 374 CA ILE A 24 -5.076 2.980 5.234 1.00 0.00 C ATOM 375 C ILE A 24 -5.923 3.405 4.031 1.00 0.00 C ATOM 376 O ILE A 24 -7.153 3.485 4.108 1.00 0.00 O ATOM 377 CB ILE A 24 -4.871 1.445 5.216 1.00 0.00 C ATOM 378 CG1 ILE A 24 -6.211 0.722 5.286 1.00 0.00 C ATOM 379 CG2 ILE A 24 -3.976 1.007 6.367 1.00 0.00 C ATOM 380 CD1 ILE A 24 -6.094 -0.790 5.167 1.00 0.00 C ATOM 0 H ILE A 24 -6.574 2.923 6.702 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.091 3.444 5.182 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.383 1.181 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.698 0.967 6.230 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.856 1.092 4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.845 -0.075 6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.004 1.493 6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.437 1.289 7.314 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.086 -1.237 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.636 -1.045 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.476 -1.172 5.979 1.00 0.00 H new ATOM 392 N TRP A 25 -5.245 3.683 2.930 1.00 0.00 N ATOM 393 CA TRP A 25 -5.916 4.136 1.726 1.00 0.00 C ATOM 394 C TRP A 25 -5.194 3.573 0.495 1.00 0.00 C ATOM 395 O TRP A 25 -3.968 3.646 0.414 1.00 0.00 O ATOM 396 CB TRP A 25 -5.936 5.670 1.688 1.00 0.00 C ATOM 397 CG TRP A 25 -6.782 6.243 0.584 1.00 0.00 C ATOM 398 CD1 TRP A 25 -6.349 6.692 -0.627 1.00 0.00 C ATOM 399 CD2 TRP A 25 -8.195 6.410 0.596 1.00 0.00 C ATOM 400 NE1 TRP A 25 -7.409 7.148 -1.370 1.00 0.00 N ATOM 401 CE2 TRP A 25 -8.556 6.976 -0.635 1.00 0.00 C ATOM 402 CE3 TRP A 25 -9.201 6.154 1.528 1.00 0.00 C ATOM 403 CZ2 TRP A 25 -9.868 7.288 -0.967 1.00 0.00 C ATOM 404 CZ3 TRP A 25 -10.515 6.442 1.190 1.00 0.00 C ATOM 405 CH2 TRP A 25 -10.837 7.004 -0.043 1.00 0.00 C ATOM 0 H TRP A 25 -4.232 3.603 2.846 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.945 3.778 1.723 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -6.304 6.042 2.644 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.915 6.034 1.576 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -5.320 6.690 -0.955 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -7.354 7.546 -2.307 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.961 5.739 2.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -10.114 7.737 -1.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -11.303 6.226 1.896 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -11.870 7.220 -0.274 1.00 0.00 H new ATOM 416 N PRO A 26 -5.934 2.988 -0.458 1.00 0.00 N ATOM 417 CA PRO A 26 -5.360 2.501 -1.699 1.00 0.00 C ATOM 418 C PRO A 26 -4.690 3.626 -2.487 1.00 0.00 C ATOM 419 O PRO A 26 -5.287 4.686 -2.689 1.00 0.00 O ATOM 420 CB PRO A 26 -6.548 1.943 -2.486 1.00 0.00 C ATOM 421 CG PRO A 26 -7.603 1.727 -1.448 1.00 0.00 C ATOM 422 CD PRO A 26 -7.394 2.782 -0.412 1.00 0.00 C ATOM 0 HA PRO A 26 -4.587 1.755 -1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.881 2.641 -3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.290 1.013 -2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -8.599 1.802 -1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.521 0.732 -1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.941 3.695 -0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.727 2.455 0.573 1.00 0.00 H new ATOM 430 N GLU A 27 -3.473 3.389 -2.966 1.00 0.00 N ATOM 431 CA GLU A 27 -2.700 4.428 -3.609 1.00 0.00 C ATOM 432 C GLU A 27 -3.283 4.802 -4.966 1.00 0.00 C ATOM 433 O GLU A 27 -2.900 5.797 -5.567 1.00 0.00 O ATOM 434 CB GLU A 27 -1.233 4.003 -3.745 1.00 0.00 C ATOM 435 CG GLU A 27 -1.005 2.868 -4.725 1.00 0.00 C ATOM 436 CD GLU A 27 -0.311 3.335 -5.978 1.00 0.00 C ATOM 437 OE1 GLU A 27 0.927 3.372 -5.992 1.00 0.00 O ATOM 438 OE2 GLU A 27 -1.001 3.678 -6.970 1.00 0.00 O ATOM 0 H GLU A 27 -3.007 2.483 -2.918 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.747 5.315 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.644 4.864 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.860 3.703 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.407 2.091 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.962 2.418 -4.987 1.00 0.00 H new ATOM 445 N TYR A 28 -4.229 3.990 -5.411 1.00 0.00 N ATOM 446 CA TYR A 28 -4.860 4.160 -6.700 1.00 0.00 C ATOM 447 C TYR A 28 -5.896 5.285 -6.654 1.00 0.00 C ATOM 448 O TYR A 28 -6.163 5.939 -7.658 1.00 0.00 O ATOM 449 CB TYR A 28 -5.524 2.859 -7.123 1.00 0.00 C ATOM 450 CG TYR A 28 -4.583 1.676 -7.062 1.00 0.00 C ATOM 451 CD1 TYR A 28 -4.454 0.930 -5.902 1.00 0.00 C ATOM 452 CD2 TYR A 28 -3.829 1.310 -8.166 1.00 0.00 C ATOM 453 CE1 TYR A 28 -3.595 -0.147 -5.827 1.00 0.00 C ATOM 454 CE2 TYR A 28 -2.964 0.236 -8.112 1.00 0.00 C ATOM 455 CZ TYR A 28 -2.843 -0.497 -6.938 1.00 0.00 C ATOM 456 OH TYR A 28 -1.969 -1.557 -6.874 1.00 0.00 O ATOM 0 H TYR A 28 -4.579 3.192 -4.881 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.094 4.429 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.383 2.668 -6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.904 2.964 -8.139 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.040 1.198 -5.035 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.920 1.874 -9.083 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.509 -0.712 -4.911 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.382 -0.034 -8.981 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.523 -1.666 -7.740 1.00 0.00 H new ATOM 466 N LYS A 29 -6.444 5.505 -5.475 1.00 0.00 N ATOM 467 CA LYS A 29 -7.446 6.574 -5.296 1.00 0.00 C ATOM 468 C LYS A 29 -6.808 7.807 -4.746 1.00 0.00 C ATOM 469 O LYS A 29 -5.831 7.745 -3.982 1.00 0.00 O ATOM 470 CB LYS A 29 -8.600 6.117 -4.376 1.00 0.00 C ATOM 471 CG LYS A 29 -9.436 4.979 -4.891 1.00 0.00 C ATOM 472 CD LYS A 29 -8.825 3.628 -4.596 1.00 0.00 C ATOM 473 CE LYS A 29 -9.688 2.492 -5.101 1.00 0.00 C ATOM 474 NZ LYS A 29 -11.033 2.459 -4.467 1.00 0.00 N ATOM 0 H LYS A 29 -6.227 4.976 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.864 6.800 -6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.179 5.827 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.254 6.970 -4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.428 5.030 -4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.566 5.087 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.840 3.567 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.680 3.523 -3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.803 2.583 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.180 1.546 -4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.508 1.565 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.932 2.532 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.601 3.257 -4.816 1.00 0.00 H new ATOM 488 N GLU A 30 -7.330 8.968 -5.105 1.00 0.00 N ATOM 489 CA GLU A 30 -6.884 10.232 -4.590 1.00 0.00 C ATOM 490 C GLU A 30 -7.333 10.361 -3.119 1.00 0.00 C ATOM 491 O GLU A 30 -8.355 9.808 -2.736 1.00 0.00 O ATOM 492 CB GLU A 30 -7.436 11.383 -5.437 1.00 0.00 C ATOM 493 CG GLU A 30 -7.121 12.771 -4.898 1.00 0.00 C ATOM 494 CD GLU A 30 -5.633 13.072 -4.822 1.00 0.00 C ATOM 495 OE1 GLU A 30 -4.993 12.709 -3.815 1.00 0.00 O ATOM 496 OE2 GLU A 30 -5.110 13.693 -5.769 1.00 0.00 O ATOM 0 H GLU A 30 -8.092 9.049 -5.778 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.796 10.283 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.034 11.299 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.518 11.274 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.602 13.516 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.555 12.872 -3.903 1.00 0.00 H new ATOM 503 N ILE A 31 -6.542 11.077 -2.325 1.00 0.00 N ATOM 504 CA ILE A 31 -6.842 11.269 -0.911 1.00 0.00 C ATOM 505 C ILE A 31 -8.110 12.099 -0.765 1.00 0.00 C ATOM 506 O ILE A 31 -8.230 13.137 -1.407 1.00 0.00 O ATOM 507 CB ILE A 31 -5.662 11.963 -0.200 1.00 0.00 C ATOM 508 CG1 ILE A 31 -4.335 11.286 -0.572 1.00 0.00 C ATOM 509 CG2 ILE A 31 -5.860 11.971 1.308 1.00 0.00 C ATOM 510 CD1 ILE A 31 -3.124 11.928 0.053 1.00 0.00 C ATOM 0 H ILE A 31 -5.686 11.535 -2.639 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.997 10.296 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.626 12.999 -0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.376 10.239 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.223 11.301 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.013 12.466 1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.777 12.507 1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.931 10.946 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.227 11.393 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.056 12.967 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.211 11.889 1.139 1.00 0.00 H new ATOM 522 N PRO A 32 -9.030 11.663 0.095 1.00 0.00 N ATOM 523 CA PRO A 32 -10.358 12.295 0.238 1.00 0.00 C ATOM 524 C PRO A 32 -10.340 13.662 0.936 1.00 0.00 C ATOM 525 O PRO A 32 -11.304 14.005 1.613 1.00 0.00 O ATOM 526 CB PRO A 32 -11.128 11.280 1.081 1.00 0.00 C ATOM 527 CG PRO A 32 -10.087 10.575 1.868 1.00 0.00 C ATOM 528 CD PRO A 32 -8.875 10.504 0.991 1.00 0.00 C ATOM 0 HA PRO A 32 -10.794 12.511 -0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.850 11.773 1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.687 10.586 0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.868 11.111 2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.422 9.577 2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.955 10.566 1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.837 9.568 0.434 1.00 0.00 H new ATOM 536 N GLN A 33 -9.255 14.422 0.774 1.00 0.00 N ATOM 537 CA GLN A 33 -9.182 15.810 1.217 1.00 0.00 C ATOM 538 C GLN A 33 -8.992 15.944 2.721 1.00 0.00 C ATOM 539 O GLN A 33 -8.063 16.613 3.169 1.00 0.00 O ATOM 540 CB GLN A 33 -10.440 16.581 0.772 1.00 0.00 C ATOM 541 CG GLN A 33 -10.460 18.029 1.215 1.00 0.00 C ATOM 542 CD GLN A 33 -11.781 18.701 0.914 1.00 0.00 C ATOM 543 OE1 GLN A 33 -12.828 18.046 0.920 1.00 0.00 O ATOM 544 NE2 GLN A 33 -11.752 20.006 0.665 1.00 0.00 N ATOM 0 H GLN A 33 -8.400 14.088 0.329 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.299 16.242 0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.512 16.543 -0.315 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.322 16.078 1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.263 18.082 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.657 18.571 0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.863 20.507 0.671 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.618 20.507 0.468 1.00 0.00 H new ATOM 553 N GLY A 34 -9.855 15.303 3.494 1.00 0.00 N ATOM 554 CA GLY A 34 -9.771 15.380 4.941 1.00 0.00 C ATOM 555 C GLY A 34 -8.493 14.762 5.480 1.00 0.00 C ATOM 556 O GLY A 34 -7.937 15.236 6.458 1.00 0.00 O ATOM 0 H GLY A 34 -10.619 14.726 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.825 16.424 5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.630 14.872 5.380 1.00 0.00 H new ATOM 560 N TRP A 35 -8.021 13.724 4.813 1.00 0.00 N ATOM 561 CA TRP A 35 -6.849 12.995 5.277 1.00 0.00 C ATOM 562 C TRP A 35 -5.610 13.517 4.557 1.00 0.00 C ATOM 563 O TRP A 35 -5.726 14.219 3.562 1.00 0.00 O ATOM 564 CB TRP A 35 -6.999 11.482 5.029 1.00 0.00 C ATOM 565 CG TRP A 35 -8.193 10.872 5.706 1.00 0.00 C ATOM 566 CD1 TRP A 35 -9.478 10.945 5.279 1.00 0.00 C ATOM 567 CD2 TRP A 35 -8.204 10.076 6.895 1.00 0.00 C ATOM 568 NE1 TRP A 35 -10.297 10.263 6.149 1.00 0.00 N ATOM 569 CE2 TRP A 35 -9.537 9.723 7.154 1.00 0.00 C ATOM 570 CE3 TRP A 35 -7.201 9.648 7.778 1.00 0.00 C ATOM 571 CZ2 TRP A 35 -9.890 8.945 8.265 1.00 0.00 C ATOM 572 CZ3 TRP A 35 -7.559 8.888 8.873 1.00 0.00 C ATOM 573 CH2 TRP A 35 -8.894 8.531 9.099 1.00 0.00 C ATOM 0 H TRP A 35 -8.429 13.366 3.949 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.748 13.152 6.351 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.071 11.305 3.956 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.098 10.975 5.376 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.809 11.461 4.390 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.309 10.173 6.060 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.167 9.909 7.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -10.920 8.681 8.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.797 8.563 9.567 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -9.140 7.915 9.951 1.00 0.00 H new ATOM 584 N ARG A 36 -4.428 13.205 5.080 1.00 0.00 N ATOM 585 CA ARG A 36 -3.190 13.573 4.421 1.00 0.00 C ATOM 586 C ARG A 36 -2.297 12.347 4.328 1.00 0.00 C ATOM 587 O ARG A 36 -2.357 11.480 5.186 1.00 0.00 O ATOM 588 CB ARG A 36 -2.472 14.689 5.193 1.00 0.00 C ATOM 589 CG ARG A 36 -1.516 15.490 4.317 1.00 0.00 C ATOM 590 CD ARG A 36 -2.230 16.580 3.520 1.00 0.00 C ATOM 591 NE ARG A 36 -3.532 16.125 3.017 1.00 0.00 N ATOM 592 CZ ARG A 36 -4.125 16.606 1.934 1.00 0.00 C ATOM 593 NH1 ARG A 36 -3.528 17.512 1.173 1.00 0.00 N ATOM 594 NH2 ARG A 36 -5.341 16.154 1.611 1.00 0.00 N ATOM 0 H ARG A 36 -4.307 12.699 5.957 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.415 13.945 3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.213 15.362 5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.917 14.252 6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.749 15.945 4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.007 14.815 3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.371 17.458 4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.604 16.887 2.682 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.012 15.390 3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.597 17.850 1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.999 17.871 0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.796 15.451 2.194 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.814 16.512 0.781 1.00 0.00 H new ATOM 608 N ALA A 37 -1.510 12.273 3.272 1.00 0.00 N ATOM 609 CA ALA A 37 -0.583 11.154 3.111 1.00 0.00 C ATOM 610 C ALA A 37 0.540 11.262 4.131 1.00 0.00 C ATOM 611 O ALA A 37 1.156 12.331 4.304 1.00 0.00 O ATOM 612 CB ALA A 37 -0.014 11.092 1.702 1.00 0.00 C ATOM 0 H ALA A 37 -1.488 12.961 2.519 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.138 10.231 3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.670 10.247 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.827 10.969 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.523 12.015 1.486 1.00 0.00 H new ATOM 618 N ALA A 38 0.799 10.173 4.831 1.00 0.00 N ATOM 619 CA ALA A 38 1.819 10.162 5.863 1.00 0.00 C ATOM 620 C ALA A 38 2.561 8.841 5.871 1.00 0.00 C ATOM 621 O ALA A 38 2.057 7.811 5.413 1.00 0.00 O ATOM 622 CB ALA A 38 1.179 10.418 7.221 1.00 0.00 C ATOM 0 H ALA A 38 0.316 9.284 4.703 1.00 0.00 H new ATOM 0 HA ALA A 38 2.539 10.953 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.948 10.409 7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.684 11.389 7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.446 9.639 7.430 1.00 0.00 H new ATOM 628 N GLY A 39 3.768 8.875 6.396 1.00 0.00 N ATOM 629 CA GLY A 39 4.557 7.681 6.490 1.00 0.00 C ATOM 630 C GLY A 39 5.118 7.253 5.168 1.00 0.00 C ATOM 631 O GLY A 39 6.090 7.834 4.673 1.00 0.00 O ATOM 0 H GLY A 39 4.216 9.716 6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.375 7.845 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.944 6.877 6.898 1.00 0.00 H new ATOM 635 N LYS A 40 4.504 6.247 4.564 1.00 0.00 N ATOM 636 CA LYS A 40 5.042 5.655 3.359 1.00 0.00 C ATOM 637 C LYS A 40 3.954 4.907 2.576 1.00 0.00 C ATOM 638 O LYS A 40 2.952 4.476 3.136 1.00 0.00 O ATOM 639 CB LYS A 40 6.177 4.682 3.740 1.00 0.00 C ATOM 640 CG LYS A 40 6.827 3.990 2.555 1.00 0.00 C ATOM 641 CD LYS A 40 7.939 3.053 3.016 1.00 0.00 C ATOM 642 CE LYS A 40 8.452 2.232 1.847 1.00 0.00 C ATOM 643 NZ LYS A 40 7.382 1.397 1.229 1.00 0.00 N ATOM 0 H LYS A 40 3.634 5.827 4.892 1.00 0.00 H new ATOM 0 HA LYS A 40 5.429 6.449 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.941 5.231 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.780 3.925 4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.076 3.426 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.234 4.735 1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.755 3.631 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.566 2.392 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.870 2.899 1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.262 1.587 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.778 0.477 0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.615 1.250 1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.006 1.881 0.389 1.00 0.00 H new ATOM 657 N SER A 41 4.159 4.819 1.275 1.00 0.00 N ATOM 658 CA SER A 41 3.287 4.044 0.415 1.00 0.00 C ATOM 659 C SER A 41 3.968 2.740 -0.002 1.00 0.00 C ATOM 660 O SER A 41 5.208 2.669 -0.040 1.00 0.00 O ATOM 661 CB SER A 41 2.907 4.854 -0.825 1.00 0.00 C ATOM 662 OG SER A 41 2.350 6.100 -0.460 1.00 0.00 O ATOM 0 H SER A 41 4.928 5.279 0.788 1.00 0.00 H new ATOM 0 HA SER A 41 2.381 3.804 0.971 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.789 5.013 -1.445 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.191 4.293 -1.426 1.00 0.00 H new ATOM 0 HG SER A 41 2.116 6.603 -1.268 1.00 0.00 H new ATOM 668 N GLY A 42 3.194 1.715 -0.275 1.00 0.00 N ATOM 669 CA GLY A 42 3.764 0.422 -0.628 1.00 0.00 C ATOM 670 C GLY A 42 2.745 -0.685 -0.606 1.00 0.00 C ATOM 671 O GLY A 42 1.560 -0.441 -0.740 1.00 0.00 O ATOM 0 H GLY A 42 2.174 1.744 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.207 0.483 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.570 0.183 0.066 1.00 0.00 H new ATOM 675 N LEU A 43 3.225 -1.931 -0.462 1.00 0.00 N ATOM 676 CA LEU A 43 2.343 -3.088 -0.416 1.00 0.00 C ATOM 677 C LEU A 43 1.677 -3.215 0.957 1.00 0.00 C ATOM 678 O LEU A 43 2.012 -2.477 1.877 1.00 0.00 O ATOM 679 CB LEU A 43 3.119 -4.368 -0.736 1.00 0.00 C ATOM 680 CG LEU A 43 3.441 -4.616 -2.215 1.00 0.00 C ATOM 681 CD1 LEU A 43 2.178 -4.498 -3.055 1.00 0.00 C ATOM 682 CD2 LEU A 43 4.501 -3.650 -2.741 1.00 0.00 C ATOM 0 H LEU A 43 4.217 -2.153 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 43 1.566 -2.946 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.057 -4.347 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.546 -5.217 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 43 3.842 -5.626 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.420 -4.676 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.448 -5.236 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.760 -3.498 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.697 -3.862 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.143 -2.626 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.420 -3.772 -2.168 1.00 0.00 H new ATOM 694 N LYS A 44 0.725 -4.149 1.073 1.00 0.00 N ATOM 695 CA LYS A 44 -0.003 -4.357 2.300 1.00 0.00 C ATOM 696 C LYS A 44 0.921 -4.530 3.500 1.00 0.00 C ATOM 697 O LYS A 44 0.803 -3.799 4.490 1.00 0.00 O ATOM 698 CB LYS A 44 -0.885 -5.602 2.171 1.00 0.00 C ATOM 699 CG LYS A 44 -1.763 -5.871 3.374 1.00 0.00 C ATOM 700 CD LYS A 44 -2.979 -4.976 3.416 1.00 0.00 C ATOM 701 CE LYS A 44 -3.863 -5.185 2.199 1.00 0.00 C ATOM 702 NZ LYS A 44 -4.220 -6.610 1.990 1.00 0.00 N ATOM 0 H LYS A 44 0.449 -4.772 0.314 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.611 -3.468 2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.518 -5.494 1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.247 -6.469 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.083 -6.913 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.180 -5.729 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.551 -5.178 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.664 -3.934 3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.775 -4.599 2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.350 -4.809 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.989 -6.677 1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.389 -7.128 1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.532 -7.026 2.891 1.00 0.00 H new ATOM 716 N LYS A 45 1.844 -5.471 3.413 1.00 0.00 N ATOM 717 CA LYS A 45 2.722 -5.780 4.533 1.00 0.00 C ATOM 718 C LYS A 45 3.564 -4.557 4.922 1.00 0.00 C ATOM 719 O LYS A 45 3.855 -4.361 6.101 1.00 0.00 O ATOM 720 CB LYS A 45 3.608 -6.998 4.219 1.00 0.00 C ATOM 721 CG LYS A 45 4.304 -6.959 2.867 1.00 0.00 C ATOM 722 CD LYS A 45 5.588 -6.137 2.878 1.00 0.00 C ATOM 723 CE LYS A 45 6.348 -6.250 1.559 1.00 0.00 C ATOM 724 NZ LYS A 45 6.978 -7.578 1.400 1.00 0.00 N ATOM 0 H LYS A 45 2.007 -6.036 2.579 1.00 0.00 H new ATOM 0 HA LYS A 45 2.101 -6.039 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.366 -7.087 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.993 -7.897 4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.535 -7.977 2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.621 -6.545 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.348 -5.091 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.227 -6.473 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.664 -6.070 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.115 -5.476 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.607 -7.567 0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.531 -7.804 2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.240 -8.298 1.265 1.00 0.00 H new ATOM 738 N ASP A 46 3.899 -3.752 3.939 1.00 0.00 N ATOM 739 CA ASP A 46 4.670 -2.543 4.173 1.00 0.00 C ATOM 740 C ASP A 46 3.844 -1.523 4.928 1.00 0.00 C ATOM 741 O ASP A 46 4.310 -0.868 5.867 1.00 0.00 O ATOM 742 CB ASP A 46 5.161 -1.973 2.830 1.00 0.00 C ATOM 743 CG ASP A 46 6.171 -0.856 2.991 1.00 0.00 C ATOM 744 OD1 ASP A 46 5.779 0.322 3.064 1.00 0.00 O ATOM 745 OD2 ASP A 46 7.390 -1.157 3.006 1.00 0.00 O ATOM 0 H ASP A 46 3.650 -3.911 2.963 1.00 0.00 H new ATOM 0 HA ASP A 46 5.538 -2.786 4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.607 -2.776 2.243 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.306 -1.602 2.265 1.00 0.00 H new ATOM 750 N CYS A 47 2.575 -1.418 4.536 1.00 0.00 N ATOM 751 CA CYS A 47 1.640 -0.495 5.149 1.00 0.00 C ATOM 752 C CYS A 47 1.341 -0.933 6.582 1.00 0.00 C ATOM 753 O CYS A 47 1.448 -0.146 7.525 1.00 0.00 O ATOM 754 CB CYS A 47 0.362 -0.440 4.314 1.00 0.00 C ATOM 755 SG CYS A 47 -0.855 0.753 4.901 1.00 0.00 S ATOM 0 H CYS A 47 2.172 -1.975 3.782 1.00 0.00 H new ATOM 0 HA CYS A 47 2.076 0.503 5.185 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.625 -0.197 3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.093 -1.430 4.302 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.193 0.463 6.122 1.00 0.00 H new ATOM 761 N LEU A 48 1.008 -2.219 6.730 1.00 0.00 N ATOM 762 CA LEU A 48 0.682 -2.800 8.024 1.00 0.00 C ATOM 763 C LEU A 48 1.838 -2.594 8.993 1.00 0.00 C ATOM 764 O LEU A 48 1.646 -2.271 10.156 1.00 0.00 O ATOM 765 CB LEU A 48 0.350 -4.292 7.882 1.00 0.00 C ATOM 766 CG LEU A 48 -0.809 -4.626 6.956 1.00 0.00 C ATOM 767 CD1 LEU A 48 -1.168 -6.096 7.047 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.011 -3.776 7.274 1.00 0.00 C ATOM 0 H LEU A 48 0.959 -2.880 5.955 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.200 -2.297 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.239 -4.810 7.522 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.127 -4.691 8.871 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.493 -4.411 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.000 -6.310 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.306 -6.699 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.457 -6.337 8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.827 -4.033 6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.321 -3.955 8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.755 -2.724 7.150 1.00 0.00 H new ATOM 780 N ALA A 49 3.056 -2.768 8.473 1.00 0.00 N ATOM 781 CA ALA A 49 4.264 -2.581 9.243 1.00 0.00 C ATOM 782 C ALA A 49 4.338 -1.172 9.805 1.00 0.00 C ATOM 783 O ALA A 49 4.674 -0.970 10.975 1.00 0.00 O ATOM 784 CB ALA A 49 5.497 -2.879 8.403 1.00 0.00 C ATOM 0 H ALA A 49 3.220 -3.043 7.505 1.00 0.00 H new ATOM 0 HA ALA A 49 4.237 -3.283 10.076 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.393 -2.731 9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.460 -3.912 8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.523 -2.208 7.544 1.00 0.00 H new ATOM 790 N TYR A 50 4.034 -0.177 8.984 1.00 0.00 N ATOM 791 CA TYR A 50 4.060 1.208 9.408 1.00 0.00 C ATOM 792 C TYR A 50 3.008 1.481 10.470 1.00 0.00 C ATOM 793 O TYR A 50 3.265 2.205 11.422 1.00 0.00 O ATOM 794 CB TYR A 50 3.867 2.169 8.229 1.00 0.00 C ATOM 795 CG TYR A 50 3.899 3.626 8.631 1.00 0.00 C ATOM 796 CD1 TYR A 50 5.099 4.284 8.852 1.00 0.00 C ATOM 797 CD2 TYR A 50 2.723 4.338 8.810 1.00 0.00 C ATOM 798 CE1 TYR A 50 5.150 5.608 9.238 1.00 0.00 C ATOM 799 CE2 TYR A 50 2.750 5.670 9.189 1.00 0.00 C ATOM 800 CZ TYR A 50 3.957 6.293 9.398 1.00 0.00 C ATOM 801 OH TYR A 50 3.978 7.642 9.775 1.00 0.00 O ATOM 0 H TYR A 50 3.764 -0.310 8.009 1.00 0.00 H new ATOM 0 HA TYR A 50 5.047 1.385 9.836 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.647 1.986 7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.914 1.954 7.747 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.024 3.743 8.718 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.774 3.848 8.652 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.097 6.098 9.411 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.827 6.216 9.320 1.00 0.00 H new ATOM 0 HH TYR A 50 4.809 7.834 10.258 1.00 0.00 H new ATOM 811 N ILE A 51 1.820 0.896 10.330 1.00 0.00 N ATOM 812 CA ILE A 51 0.716 1.182 11.242 1.00 0.00 C ATOM 813 C ILE A 51 1.045 0.638 12.628 1.00 0.00 C ATOM 814 O ILE A 51 0.663 1.228 13.647 1.00 0.00 O ATOM 815 CB ILE A 51 -0.620 0.575 10.759 1.00 0.00 C ATOM 816 CG1 ILE A 51 -0.846 0.823 9.266 1.00 0.00 C ATOM 817 CG2 ILE A 51 -1.786 1.152 11.559 1.00 0.00 C ATOM 818 CD1 ILE A 51 -0.810 2.274 8.867 1.00 0.00 C ATOM 0 H ILE A 51 1.598 0.223 9.596 1.00 0.00 H new ATOM 0 HA ILE A 51 0.593 2.265 11.274 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.566 -0.502 10.920 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.086 0.284 8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.811 0.404 8.982 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.720 0.715 11.207 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.652 0.920 12.616 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.819 2.233 11.426 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.979 2.360 7.794 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.589 2.818 9.402 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.164 2.696 9.116 1.00 0.00 H new ATOM 830 N GLU A 52 1.739 -0.490 12.639 1.00 0.00 N ATOM 831 CA GLU A 52 2.237 -1.097 13.869 1.00 0.00 C ATOM 832 C GLU A 52 3.154 -0.140 14.637 1.00 0.00 C ATOM 833 O GLU A 52 3.103 -0.071 15.866 1.00 0.00 O ATOM 834 CB GLU A 52 2.980 -2.383 13.517 1.00 0.00 C ATOM 835 CG GLU A 52 3.454 -3.194 14.704 1.00 0.00 C ATOM 836 CD GLU A 52 4.123 -4.492 14.273 1.00 0.00 C ATOM 837 OE1 GLU A 52 3.441 -5.330 13.660 1.00 0.00 O ATOM 838 OE2 GLU A 52 5.342 -4.653 14.527 1.00 0.00 O ATOM 0 H GLU A 52 1.974 -1.013 11.795 1.00 0.00 H new ATOM 0 HA GLU A 52 1.392 -1.322 14.519 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.326 -3.007 12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.843 -2.129 12.902 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.155 -2.602 15.292 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.607 -3.420 15.351 1.00 0.00 H new ATOM 845 N GLU A 53 3.985 0.605 13.899 1.00 0.00 N ATOM 846 CA GLU A 53 4.986 1.493 14.501 1.00 0.00 C ATOM 847 C GLU A 53 4.416 2.411 15.608 1.00 0.00 C ATOM 848 O GLU A 53 4.875 2.309 16.749 1.00 0.00 O ATOM 849 CB GLU A 53 5.703 2.322 13.434 1.00 0.00 C ATOM 850 CG GLU A 53 6.402 1.473 12.395 1.00 0.00 C ATOM 851 CD GLU A 53 7.555 0.685 12.959 1.00 0.00 C ATOM 852 OE1 GLU A 53 7.324 -0.439 13.448 1.00 0.00 O ATOM 853 OE2 GLU A 53 8.696 1.174 12.912 1.00 0.00 O ATOM 0 H GLU A 53 3.984 0.610 12.879 1.00 0.00 H new ATOM 0 HA GLU A 53 5.707 0.836 14.987 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.980 2.970 12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.434 2.971 13.917 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.682 0.786 11.951 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.766 2.116 11.593 1.00 0.00 H new ATOM 860 N VAL A 54 3.461 3.331 15.352 1.00 0.00 N ATOM 861 CA VAL A 54 2.908 3.623 14.032 1.00 0.00 C ATOM 862 C VAL A 54 3.732 4.738 13.392 1.00 0.00 C ATOM 863 O VAL A 54 3.905 4.810 12.181 1.00 0.00 O ATOM 864 CB VAL A 54 1.422 4.047 14.098 1.00 0.00 C ATOM 865 CG1 VAL A 54 1.197 5.118 15.155 1.00 0.00 C ATOM 866 CG2 VAL A 54 0.928 4.553 12.747 1.00 0.00 C ATOM 0 H VAL A 54 3.048 3.903 16.088 1.00 0.00 H new ATOM 0 HA VAL A 54 2.956 2.712 13.435 1.00 0.00 H new ATOM 0 HB VAL A 54 0.852 3.159 14.371 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.143 5.393 15.175 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.490 4.733 16.132 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.797 5.996 14.916 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.120 4.843 12.828 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.521 5.416 12.443 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.029 3.763 12.003 1.00 0.00 H new ATOM 876 N TRP A 55 4.250 5.588 14.253 1.00 0.00 N ATOM 877 CA TRP A 55 5.215 6.598 13.868 1.00 0.00 C ATOM 878 C TRP A 55 6.307 6.570 14.934 1.00 0.00 C ATOM 879 O TRP A 55 6.901 7.594 15.283 1.00 0.00 O ATOM 880 CB TRP A 55 4.519 7.973 13.772 1.00 0.00 C ATOM 881 CG TRP A 55 5.429 9.120 13.428 1.00 0.00 C ATOM 882 CD1 TRP A 55 5.491 10.320 14.068 1.00 0.00 C ATOM 883 CD2 TRP A 55 6.415 9.169 12.391 1.00 0.00 C ATOM 884 NE1 TRP A 55 6.456 11.119 13.488 1.00 0.00 N ATOM 885 CE2 TRP A 55 7.033 10.428 12.453 1.00 0.00 C ATOM 886 CE3 TRP A 55 6.828 8.263 11.417 1.00 0.00 C ATOM 887 CZ2 TRP A 55 8.038 10.802 11.578 1.00 0.00 C ATOM 888 CZ3 TRP A 55 7.838 8.640 10.547 1.00 0.00 C ATOM 889 CH2 TRP A 55 8.434 9.900 10.630 1.00 0.00 C ATOM 0 H TRP A 55 4.013 5.598 15.245 1.00 0.00 H new ATOM 0 HA TRP A 55 5.651 6.408 12.887 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.732 7.914 13.020 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.034 8.186 14.725 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.875 10.606 14.908 1.00 0.00 H new ATOM 0 HE1 TRP A 55 6.699 12.065 13.780 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.371 7.288 11.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.496 11.778 11.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 8.171 7.946 9.790 1.00 0.00 H new ATOM 0 HH2 TRP A 55 9.218 10.165 9.936 1.00 0.00 H new ATOM 900 N THR A 56 6.527 5.364 15.459 1.00 0.00 N ATOM 901 CA THR A 56 7.463 5.086 16.545 1.00 0.00 C ATOM 902 C THR A 56 6.952 5.721 17.833 1.00 0.00 C ATOM 903 O THR A 56 7.322 6.842 18.191 1.00 0.00 O ATOM 904 CB THR A 56 8.949 5.484 16.245 1.00 0.00 C ATOM 905 OG1 THR A 56 9.129 6.897 16.076 1.00 0.00 O ATOM 906 CG2 THR A 56 9.436 4.774 14.986 1.00 0.00 C ATOM 0 H THR A 56 6.043 4.529 15.129 1.00 0.00 H new ATOM 0 HA THR A 56 7.498 4.002 16.658 1.00 0.00 H new ATOM 0 HB THR A 56 9.531 5.177 17.114 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.289 7.360 16.277 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.469 5.057 14.786 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.376 3.695 15.131 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.811 5.062 14.141 1.00 0.00 H new ATOM 914 N ASP A 57 6.066 4.988 18.501 1.00 0.00 N ATOM 915 CA ASP A 57 5.333 5.531 19.634 1.00 0.00 C ATOM 916 C ASP A 57 5.515 4.653 20.854 1.00 0.00 C ATOM 917 O ASP A 57 6.309 3.716 20.843 1.00 0.00 O ATOM 918 CB ASP A 57 3.841 5.599 19.307 1.00 0.00 C ATOM 919 CG ASP A 57 3.542 6.318 18.003 1.00 0.00 C ATOM 920 OD1 ASP A 57 3.652 5.682 16.931 1.00 0.00 O ATOM 921 OD2 ASP A 57 3.168 7.509 18.054 1.00 0.00 O ATOM 0 H ASP A 57 5.840 4.019 18.276 1.00 0.00 H new ATOM 0 HA ASP A 57 5.719 6.529 19.839 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.441 4.586 19.255 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.321 6.105 20.120 1.00 0.00 H new ATOM 926 N MET A 58 4.761 4.944 21.910 1.00 0.00 N ATOM 927 CA MET A 58 4.798 4.138 23.111 1.00 0.00 C ATOM 928 C MET A 58 3.677 3.092 23.114 1.00 0.00 C ATOM 929 O MET A 58 3.189 2.656 24.177 1.00 0.00 O ATOM 930 CB MET A 58 4.695 5.044 24.357 1.00 0.00 C ATOM 931 CG MET A 58 3.370 5.773 24.505 1.00 0.00 C ATOM 932 SD MET A 58 3.081 6.973 23.196 1.00 0.00 S ATOM 933 CE MET A 58 1.538 7.688 23.764 1.00 0.00 C ATOM 0 H MET A 58 4.118 5.735 21.952 1.00 0.00 H new ATOM 0 HA MET A 58 5.749 3.605 23.135 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.861 4.436 25.246 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.497 5.781 24.321 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.559 5.045 24.509 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.347 6.282 25.469 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.213 8.457 23.063 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.778 6.910 23.827 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.684 8.133 24.748 1.00 0.00 H new ATOM 943 N ARG A 59 3.265 2.675 21.920 1.00 0.00 N ATOM 944 CA ARG A 59 2.206 1.683 21.767 1.00 0.00 C ATOM 945 C ARG A 59 2.811 0.271 21.724 1.00 0.00 C ATOM 946 O ARG A 59 3.788 0.024 21.010 1.00 0.00 O ATOM 947 CB ARG A 59 1.397 1.957 20.499 1.00 0.00 C ATOM 948 CG ARG A 59 0.332 0.900 20.219 1.00 0.00 C ATOM 949 CD ARG A 59 -0.524 1.296 19.031 1.00 0.00 C ATOM 950 NE ARG A 59 -1.348 2.462 19.326 1.00 0.00 N ATOM 951 CZ ARG A 59 -1.352 3.582 18.604 1.00 0.00 C ATOM 952 NH1 ARG A 59 -0.535 3.717 17.584 1.00 0.00 N ATOM 953 NH2 ARG A 59 -2.180 4.560 18.910 1.00 0.00 N ATOM 0 H ARG A 59 3.652 3.012 21.039 1.00 0.00 H new ATOM 0 HA ARG A 59 1.535 1.751 22.623 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.917 2.932 20.587 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.076 2.012 19.648 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.809 -0.060 20.024 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.298 0.770 21.099 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.117 1.510 18.176 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.164 0.460 18.749 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.962 2.418 20.139 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.107 2.962 17.341 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.542 4.577 17.035 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.818 4.460 19.700 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.183 5.417 18.357 1.00 0.00 H new ATOM 967 N PRO A 60 2.228 -0.657 22.494 1.00 0.00 N ATOM 968 CA PRO A 60 2.682 -2.050 22.557 1.00 0.00 C ATOM 969 C PRO A 60 2.429 -2.816 21.269 1.00 0.00 C ATOM 970 O PRO A 60 1.419 -2.577 20.583 1.00 0.00 O ATOM 971 CB PRO A 60 1.882 -2.660 23.709 1.00 0.00 C ATOM 972 CG PRO A 60 1.265 -1.514 24.411 1.00 0.00 C ATOM 973 CD PRO A 60 1.096 -0.433 23.387 1.00 0.00 C ATOM 0 HA PRO A 60 3.761 -2.101 22.705 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.123 -3.348 23.338 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.528 -3.228 24.378 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.304 -1.794 24.842 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.897 -1.176 25.232 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.144 -0.517 22.863 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.126 0.559 23.837 1.00 0.00 H new ATOM 981 N LEU A 61 3.314 -3.743 20.945 1.00 0.00 N ATOM 982 CA LEU A 61 3.237 -4.522 19.713 1.00 0.00 C ATOM 983 C LEU A 61 2.438 -5.815 19.903 1.00 0.00 C ATOM 984 O LEU A 61 2.502 -6.727 19.091 1.00 0.00 O ATOM 985 CB LEU A 61 4.651 -4.867 19.241 1.00 0.00 C ATOM 986 CG LEU A 61 5.550 -3.653 18.985 1.00 0.00 C ATOM 987 CD1 LEU A 61 6.906 -4.116 18.499 1.00 0.00 C ATOM 988 CD2 LEU A 61 4.907 -2.706 17.972 1.00 0.00 C ATOM 0 H LEU A 61 4.114 -3.981 21.532 1.00 0.00 H new ATOM 0 HA LEU A 61 2.722 -3.916 18.967 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.125 -5.503 19.989 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.582 -5.452 18.324 1.00 0.00 H new ATOM 0 HG LEU A 61 5.677 -3.106 19.919 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.543 -3.250 18.318 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.366 -4.753 19.255 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.788 -4.679 17.573 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.563 -1.851 17.806 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.751 -3.232 17.030 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.948 -2.358 18.357 1.00 0.00 H new ATOM 1000 N SER A 62 1.659 -5.881 20.976 1.00 0.00 N ATOM 1001 CA SER A 62 0.940 -7.090 21.325 1.00 0.00 C ATOM 1002 C SER A 62 -0.423 -7.133 20.601 1.00 0.00 C ATOM 1003 O SER A 62 -1.173 -8.106 20.714 1.00 0.00 O ATOM 1004 CB SER A 62 0.728 -7.155 22.847 1.00 0.00 C ATOM 1005 OG SER A 62 0.437 -8.480 23.284 1.00 0.00 O ATOM 0 H SER A 62 1.512 -5.104 21.620 1.00 0.00 H new ATOM 0 HA SER A 62 1.531 -7.950 21.010 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.622 -6.793 23.354 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.089 -6.491 23.129 1.00 0.00 H new ATOM 0 HG SER A 62 -0.162 -8.913 22.640 1.00 0.00 H new ATOM 1011 N LEU A 63 -0.696 -6.086 19.819 1.00 0.00 N ATOM 1012 CA LEU A 63 -1.948 -5.965 19.093 1.00 0.00 C ATOM 1013 C LEU A 63 -1.910 -6.746 17.789 1.00 0.00 C ATOM 1014 O LEU A 63 -2.919 -6.840 17.083 1.00 0.00 O ATOM 1015 CB LEU A 63 -2.272 -4.486 18.829 1.00 0.00 C ATOM 1016 CG LEU A 63 -1.137 -3.641 18.268 1.00 0.00 C ATOM 1017 CD1 LEU A 63 -0.960 -3.865 16.775 1.00 0.00 C ATOM 1018 CD2 LEU A 63 -1.392 -2.172 18.566 1.00 0.00 C ATOM 0 H LEU A 63 -0.055 -5.306 19.676 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.738 -6.392 19.711 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.111 -4.437 18.135 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.605 -4.036 19.764 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.211 -3.948 18.754 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.141 -3.246 16.409 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.732 -4.915 16.589 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.879 -3.596 16.255 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.577 -1.572 18.162 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.331 -1.865 18.105 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.452 -2.024 19.644 1.00 0.00 H new ATOM 1030 N ARG A 64 -0.742 -7.304 17.435 1.00 0.00 N ATOM 1031 CA ARG A 64 -0.596 -8.051 16.184 1.00 0.00 C ATOM 1032 C ARG A 64 -1.173 -9.465 16.308 1.00 0.00 C ATOM 1033 O ARG A 64 -1.451 -10.103 15.281 1.00 0.00 O ATOM 1034 CB ARG A 64 0.867 -8.120 15.775 1.00 0.00 C ATOM 1035 CG ARG A 64 1.733 -8.959 16.705 1.00 0.00 C ATOM 1036 CD ARG A 64 3.178 -9.015 16.225 1.00 0.00 C ATOM 1037 NE ARG A 64 3.320 -9.652 14.915 1.00 0.00 N ATOM 1038 CZ ARG A 64 3.999 -9.120 13.898 1.00 0.00 C ATOM 1039 NH1 ARG A 64 4.627 -7.955 14.038 1.00 0.00 N ATOM 1040 NH2 ARG A 64 4.094 -9.776 12.742 1.00 0.00 N ATOM 0 H ARG A 64 0.108 -7.251 17.996 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.157 -7.522 15.414 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.933 -8.529 14.767 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.270 -7.108 15.735 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.699 -8.541 17.711 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.330 -9.970 16.766 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.579 -8.002 16.176 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.777 -9.560 16.955 1.00 0.00 H new ATOM 0 HE ARG A 64 2.873 -10.557 14.771 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.592 -7.460 14.929 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.144 -7.557 13.254 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.647 -10.686 12.634 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.614 -9.368 11.965 1.00 0.00 H new ATOM 1054 N GLN A 65 -1.356 -9.915 17.552 1.00 0.00 N ATOM 1055 CA GLN A 65 -1.770 -11.274 17.853 1.00 0.00 C ATOM 1056 C GLN A 65 -0.646 -12.270 17.540 1.00 0.00 C ATOM 1057 O GLN A 65 -0.073 -12.254 16.451 1.00 0.00 O ATOM 1058 CB GLN A 65 -3.049 -11.660 17.098 1.00 0.00 C ATOM 1059 CG GLN A 65 -4.282 -10.929 17.560 1.00 0.00 C ATOM 1060 CD GLN A 65 -5.530 -11.309 16.770 1.00 0.00 C ATOM 1061 OE1 GLN A 65 -6.238 -12.252 17.129 1.00 0.00 O ATOM 1062 NE2 GLN A 65 -5.813 -10.569 15.715 1.00 0.00 N ATOM 0 H GLN A 65 -1.218 -9.336 18.380 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.988 -11.315 18.920 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.903 -11.467 16.035 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.213 -12.732 17.208 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.449 -11.140 18.616 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.116 -9.855 17.472 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.199 -9.798 15.454 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.646 -10.768 15.161 1.00 0.00 H new ATOM 1071 N HIS A 66 -0.345 -13.138 18.492 1.00 0.00 N ATOM 1072 CA HIS A 66 0.760 -14.099 18.334 1.00 0.00 C ATOM 1073 C HIS A 66 0.422 -15.173 17.322 1.00 0.00 C ATOM 1074 O HIS A 66 1.274 -15.980 16.949 1.00 0.00 O ATOM 1075 CB HIS A 66 1.091 -14.751 19.697 1.00 0.00 C ATOM 1076 CG HIS A 66 1.600 -13.789 20.715 1.00 0.00 C ATOM 1077 ND1 HIS A 66 0.838 -13.304 21.752 1.00 0.00 N ATOM 1078 CD2 HIS A 66 2.828 -13.222 20.878 1.00 0.00 C ATOM 1079 CE1 HIS A 66 1.557 -12.502 22.502 1.00 0.00 C ATOM 1080 NE2 HIS A 66 2.766 -12.433 21.993 1.00 0.00 N ATOM 0 H HIS A 66 -0.841 -13.205 19.381 1.00 0.00 H new ATOM 0 HA HIS A 66 1.629 -13.552 17.968 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.195 -15.236 20.085 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.836 -15.532 19.544 1.00 0.00 H new ATOM 0 HD2 HIS A 66 3.690 -13.368 20.244 1.00 0.00 H new ATOM 0 HE1 HIS A 66 1.213 -11.987 23.387 1.00 0.00 H new ATOM 0 HE2 HIS A 66 3.536 -11.879 22.369 1.00 0.00 H new ATOM 1089 N MET A 67 -0.811 -15.164 16.852 1.00 0.00 N ATOM 1090 CA MET A 67 -1.261 -16.128 15.869 1.00 0.00 C ATOM 1091 C MET A 67 -0.713 -15.806 14.492 1.00 0.00 C ATOM 1092 O MET A 67 -0.814 -16.625 13.572 1.00 0.00 O ATOM 1093 CB MET A 67 -2.805 -16.169 15.822 1.00 0.00 C ATOM 1094 CG MET A 67 -3.462 -16.521 17.140 1.00 0.00 C ATOM 1095 SD MET A 67 -3.374 -15.196 18.364 1.00 0.00 S ATOM 1096 CE MET A 67 -4.181 -15.988 19.760 1.00 0.00 C ATOM 0 H MET A 67 -1.524 -14.493 17.139 1.00 0.00 H new ATOM 0 HA MET A 67 -0.885 -17.107 16.168 1.00 0.00 H new ATOM 0 HB2 MET A 67 -3.172 -15.196 15.495 1.00 0.00 H new ATOM 0 HB3 MET A 67 -3.114 -16.895 15.070 1.00 0.00 H new ATOM 0 HG2 MET A 67 -4.508 -16.771 16.961 1.00 0.00 H new ATOM 0 HG3 MET A 67 -2.987 -17.413 17.547 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.208 -15.298 20.604 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.199 -16.264 19.483 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.626 -16.883 20.041 1.00 0.00 H new ATOM 1106 N ASP A 68 -0.128 -14.620 14.332 1.00 0.00 N ATOM 1107 CA ASP A 68 0.398 -14.197 13.037 1.00 0.00 C ATOM 1108 C ASP A 68 1.684 -14.951 12.716 1.00 0.00 C ATOM 1109 O ASP A 68 1.990 -15.236 11.553 1.00 0.00 O ATOM 1110 CB ASP A 68 0.644 -12.672 13.006 1.00 0.00 C ATOM 1111 CG ASP A 68 2.088 -12.281 13.274 1.00 0.00 C ATOM 1112 OD1 ASP A 68 2.493 -12.238 14.453 1.00 0.00 O ATOM 1113 OD2 ASP A 68 2.822 -12.013 12.301 1.00 0.00 O ATOM 0 H ASP A 68 -0.007 -13.938 15.081 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.347 -14.432 12.276 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.347 -12.285 12.031 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.004 -12.194 13.748 1.00 0.00 H new ATOM 1118 N LYS A 69 2.445 -15.293 13.749 1.00 0.00 N ATOM 1119 CA LYS A 69 3.673 -16.049 13.596 1.00 0.00 C ATOM 1120 C LYS A 69 3.383 -17.546 13.633 1.00 0.00 C ATOM 1121 O LYS A 69 4.292 -18.372 13.549 1.00 0.00 O ATOM 1122 CB LYS A 69 4.684 -15.677 14.678 1.00 0.00 C ATOM 1123 CG LYS A 69 4.211 -15.999 16.083 1.00 0.00 C ATOM 1124 CD LYS A 69 5.190 -15.498 17.135 1.00 0.00 C ATOM 1125 CE LYS A 69 6.561 -16.131 16.967 1.00 0.00 C ATOM 1126 NZ LYS A 69 7.511 -15.675 18.027 1.00 0.00 N ATOM 0 H LYS A 69 2.224 -15.052 14.715 1.00 0.00 H new ATOM 0 HA LYS A 69 4.106 -15.799 12.627 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.619 -16.204 14.488 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.900 -14.611 14.611 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.234 -15.547 16.251 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.085 -17.077 16.187 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.278 -14.414 17.065 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.804 -15.723 18.129 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.468 -17.216 17.003 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.961 -15.878 15.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.436 -16.127 17.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.618 -14.642 17.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.140 -15.939 18.962 1.00 0.00 H new ATOM 1140 N ALA A 70 2.109 -17.867 13.755 1.00 0.00 N ATOM 1141 CA ALA A 70 1.681 -19.263 13.805 1.00 0.00 C ATOM 1142 C ALA A 70 1.080 -19.677 12.475 1.00 0.00 C ATOM 1143 O ALA A 70 0.423 -20.716 12.381 1.00 0.00 O ATOM 1144 CB ALA A 70 0.668 -19.462 14.924 1.00 0.00 C ATOM 0 H ALA A 70 1.351 -17.188 13.821 1.00 0.00 H new ATOM 0 HA ALA A 70 2.551 -19.888 14.004 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.356 -20.506 14.951 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.122 -19.194 15.878 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.201 -18.829 14.745 1.00 0.00 H new ATOM 1150 N ALA A 71 1.335 -18.883 11.443 1.00 0.00 N ATOM 1151 CA ALA A 71 0.796 -19.161 10.109 1.00 0.00 C ATOM 1152 C ALA A 71 1.908 -19.097 9.074 1.00 0.00 C ATOM 1153 O ALA A 71 2.844 -18.314 9.183 1.00 0.00 O ATOM 1154 CB ALA A 71 -0.298 -18.162 9.755 1.00 0.00 C ATOM 0 H ALA A 71 1.910 -18.042 11.499 1.00 0.00 H new ATOM 0 HA ALA A 71 0.366 -20.163 10.112 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.686 -18.384 8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.105 -18.233 10.484 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.113 -17.153 9.766 1.00 0.00 H new ATOM 1160 N GLY A 72 1.792 -19.943 8.060 1.00 0.00 N ATOM 1161 CA GLY A 72 2.807 -20.011 7.039 1.00 0.00 C ATOM 1162 C GLY A 72 2.358 -20.830 5.860 1.00 0.00 C ATOM 1163 O GLY A 72 2.604 -22.056 5.856 1.00 0.00 O ATOM 1164 OXT GLY A 72 1.736 -20.271 4.923 1.00 0.00 O ATOM 0 H GLY A 72 1.009 -20.584 7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.057 -19.003 6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.716 -20.444 7.458 1.00 0.00 H new TER 1168 GLY A 72