USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 883 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 54 HIS : no HD1:sc= -0.012 X(o=0.43,f=0.23) USER MOD Set 1.2: A 58 THR OG1 : rot -14:sc= 0.447 USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0.67 USER MOD Set 2.2: A 46 THR OG1 : rot 74:sc= 0.716 USER MOD Set 3.1: A 23 GLN : amide:sc= 0.395 K(o=0.85,f=-2.1!) USER MOD Set 3.2: A 29 GLN : amide:sc= 0.452 K(o=0.85,f=-0.026) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.166 (180deg=-0.863) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc=-0.00817 USER MOD Single : A 3 LYS NZ :NH3+ -135:sc= -0.34 (180deg=-2.17!) USER MOD Single : A 4 ASN : amide:sc= -0.0771 K(o=-0.077,f=-1.7!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0168 K(o=-0.017,f=-1.1) USER MOD Single : A 18 MET CE :methyl -160:sc= -0.0989 (180deg=-0.57) USER MOD Single : A 22 SER OG : rot 88:sc=0.000725 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 67:sc= 1.25 USER MOD Single : A 34 CYS SG : rot -30:sc= 0.0803 USER MOD Single : A 35 SER OG : rot 96:sc= 1.26 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -168:sc= 0.381 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.575 F(o=-1.7!,f=-0.58) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0895 K(o=-0.089,f=-0.76) USER MOD Single : A 74 LYS NZ :NH3+ 153:sc= -0.224 (180deg=-0.816) USER MOD Single : A 80 ASN : amide:sc= -0.0717 K(o=-0.072,f=-0.9) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 169:sc= -0.0107 (180deg=-0.179) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.263 -22.892 11.696 1.00 0.00 N ATOM 2 CA MET A 1 0.452 -23.397 13.075 1.00 0.00 C ATOM 3 C MET A 1 1.186 -22.377 13.940 1.00 0.00 C ATOM 4 O MET A 1 0.616 -21.841 14.890 1.00 0.00 O ATOM 5 CB MET A 1 1.224 -24.720 13.052 1.00 0.00 C ATOM 6 CG MET A 1 1.405 -25.352 14.424 1.00 0.00 C ATOM 7 SD MET A 1 2.310 -26.911 14.359 1.00 0.00 S ATOM 8 CE MET A 1 1.220 -27.884 13.320 1.00 0.00 C ATOM 0 H1 MET A 1 -0.239 -23.606 11.130 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.296 -22.015 11.721 1.00 0.00 H new ATOM 0 H3 MET A 1 1.190 -22.699 11.267 1.00 0.00 H new ATOM 0 HA MET A 1 -0.533 -23.565 13.511 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.700 -25.424 12.405 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.205 -24.549 12.609 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.936 -24.655 15.073 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.426 -25.523 14.873 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.430 -28.944 13.464 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.183 -27.680 13.588 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.383 -27.621 12.275 1.00 0.00 H new ATOM 20 N THR A 2 2.447 -22.101 13.615 1.00 0.00 N ATOM 21 CA THR A 2 3.258 -21.206 14.430 1.00 0.00 C ATOM 22 C THR A 2 3.003 -19.739 14.072 1.00 0.00 C ATOM 23 O THR A 2 2.389 -19.432 13.046 1.00 0.00 O ATOM 24 CB THR A 2 4.763 -21.525 14.292 1.00 0.00 C ATOM 25 OG1 THR A 2 5.487 -20.916 15.367 1.00 0.00 O ATOM 26 CG2 THR A 2 5.316 -21.030 12.965 1.00 0.00 C ATOM 0 H THR A 2 2.925 -22.482 12.798 1.00 0.00 H new ATOM 0 HA THR A 2 2.963 -21.367 15.467 1.00 0.00 H new ATOM 0 HB THR A 2 4.882 -22.608 14.329 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.441 -21.122 15.277 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.377 -21.271 12.901 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.784 -21.514 12.146 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.184 -19.950 12.896 1.00 0.00 H new ATOM 34 N LYS A 3 3.476 -18.843 14.931 1.00 0.00 N ATOM 35 CA LYS A 3 3.300 -17.408 14.750 1.00 0.00 C ATOM 36 C LYS A 3 4.665 -16.727 14.770 1.00 0.00 C ATOM 37 O LYS A 3 5.698 -17.397 14.791 1.00 0.00 O ATOM 38 CB LYS A 3 2.416 -16.848 15.874 1.00 0.00 C ATOM 39 CG LYS A 3 1.026 -17.468 15.933 1.00 0.00 C ATOM 40 CD LYS A 3 0.265 -17.105 17.210 1.00 0.00 C ATOM 41 CE LYS A 3 -0.209 -15.655 17.229 1.00 0.00 C ATOM 42 NZ LYS A 3 0.878 -14.697 17.563 1.00 0.00 N ATOM 0 H LYS A 3 3.993 -19.092 15.774 1.00 0.00 H new ATOM 0 HA LYS A 3 2.815 -17.217 13.793 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.915 -17.008 16.830 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.317 -15.770 15.743 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.450 -17.140 15.068 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.114 -18.552 15.865 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.597 -17.765 17.313 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.907 -17.283 18.072 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.624 -15.401 16.254 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.015 -15.551 17.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.530 -14.006 18.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.686 -15.215 17.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.179 -14.199 16.701 1.00 0.00 H new ATOM 56 N ASN A 4 4.680 -15.402 14.752 1.00 0.00 N ATOM 57 CA ASN A 4 5.928 -14.668 14.909 1.00 0.00 C ATOM 58 C ASN A 4 6.285 -14.580 16.384 1.00 0.00 C ATOM 59 O ASN A 4 5.684 -13.816 17.138 1.00 0.00 O ATOM 60 CB ASN A 4 5.841 -13.273 14.285 1.00 0.00 C ATOM 61 CG ASN A 4 5.987 -13.307 12.776 1.00 0.00 C ATOM 62 OD1 ASN A 4 6.622 -14.209 12.225 1.00 0.00 O ATOM 63 ND2 ASN A 4 5.408 -12.325 12.101 1.00 0.00 N ATOM 0 H ASN A 4 3.852 -14.818 14.632 1.00 0.00 H new ATOM 0 HA ASN A 4 6.715 -15.207 14.382 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.884 -12.820 14.545 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.620 -12.639 14.709 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.478 -12.295 11.084 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.892 -11.599 12.598 1.00 0.00 H new ATOM 70 N THR A 5 7.258 -15.377 16.789 1.00 0.00 N ATOM 71 CA THR A 5 7.588 -15.533 18.192 1.00 0.00 C ATOM 72 C THR A 5 8.407 -14.352 18.712 1.00 0.00 C ATOM 73 O THR A 5 9.637 -14.344 18.627 1.00 0.00 O ATOM 74 CB THR A 5 8.356 -16.845 18.416 1.00 0.00 C ATOM 75 OG1 THR A 5 7.678 -17.917 17.745 1.00 0.00 O ATOM 76 CG2 THR A 5 8.466 -17.161 19.899 1.00 0.00 C ATOM 0 H THR A 5 7.838 -15.931 16.158 1.00 0.00 H new ATOM 0 HA THR A 5 6.652 -15.564 18.750 1.00 0.00 H new ATOM 0 HB THR A 5 9.362 -16.732 18.011 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.169 -18.754 17.886 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.013 -18.094 20.033 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.996 -16.354 20.405 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.468 -17.262 20.325 1.00 0.00 H new ATOM 84 N ARG A 6 7.695 -13.340 19.213 1.00 0.00 N ATOM 85 CA ARG A 6 8.294 -12.149 19.831 1.00 0.00 C ATOM 86 C ARG A 6 9.061 -11.304 18.810 1.00 0.00 C ATOM 87 O ARG A 6 9.657 -10.279 19.155 1.00 0.00 O ATOM 88 CB ARG A 6 9.215 -12.524 21.003 1.00 0.00 C ATOM 89 CG ARG A 6 8.605 -13.511 21.999 1.00 0.00 C ATOM 90 CD ARG A 6 7.170 -13.157 22.370 1.00 0.00 C ATOM 91 NE ARG A 6 7.047 -11.827 22.969 1.00 0.00 N ATOM 92 CZ ARG A 6 5.877 -11.239 23.226 1.00 0.00 C ATOM 93 NH1 ARG A 6 4.743 -11.889 22.980 1.00 0.00 N ATOM 94 NH2 ARG A 6 5.838 -10.012 23.741 1.00 0.00 N ATOM 0 H ARG A 6 6.675 -13.322 19.202 1.00 0.00 H new ATOM 0 HA ARG A 6 7.469 -11.550 20.218 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.134 -12.952 20.603 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.492 -11.614 21.536 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.629 -14.514 21.572 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.215 -13.534 22.902 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.547 -13.207 21.477 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.787 -13.901 23.068 1.00 0.00 H new ATOM 0 HE ARG A 6 7.902 -11.322 23.203 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.770 -12.834 22.596 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.847 -11.443 23.175 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.706 -9.515 23.942 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.940 -9.569 23.935 1.00 0.00 H new ATOM 108 N PHE A 7 9.031 -11.723 17.556 1.00 0.00 N ATOM 109 CA PHE A 7 9.697 -10.993 16.492 1.00 0.00 C ATOM 110 C PHE A 7 8.672 -10.285 15.622 1.00 0.00 C ATOM 111 O PHE A 7 8.003 -10.904 14.794 1.00 0.00 O ATOM 112 CB PHE A 7 10.563 -11.932 15.646 1.00 0.00 C ATOM 113 CG PHE A 7 11.205 -11.257 14.465 1.00 0.00 C ATOM 114 CD1 PHE A 7 12.236 -10.354 14.643 1.00 0.00 C ATOM 115 CD2 PHE A 7 10.768 -11.526 13.176 1.00 0.00 C ATOM 116 CE1 PHE A 7 12.822 -9.729 13.558 1.00 0.00 C ATOM 117 CE2 PHE A 7 11.350 -10.904 12.089 1.00 0.00 C ATOM 118 CZ PHE A 7 12.379 -10.004 12.281 1.00 0.00 C ATOM 0 H PHE A 7 8.550 -12.569 17.250 1.00 0.00 H new ATOM 0 HA PHE A 7 10.350 -10.246 16.943 1.00 0.00 H new ATOM 0 HB2 PHE A 7 11.342 -12.361 16.276 1.00 0.00 H new ATOM 0 HB3 PHE A 7 9.948 -12.759 15.291 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.588 -10.134 15.640 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.964 -12.230 13.021 1.00 0.00 H new ATOM 0 HE1 PHE A 7 13.627 -9.025 13.710 1.00 0.00 H new ATOM 0 HE2 PHE A 7 11.001 -11.121 11.090 1.00 0.00 H new ATOM 0 HZ PHE A 7 12.836 -9.516 11.433 1.00 0.00 H new ATOM 128 N SER A 8 8.526 -8.993 15.847 1.00 0.00 N ATOM 129 CA SER A 8 7.628 -8.178 15.054 1.00 0.00 C ATOM 130 C SER A 8 8.386 -7.557 13.883 1.00 0.00 C ATOM 131 O SER A 8 9.573 -7.245 14.000 1.00 0.00 O ATOM 132 CB SER A 8 7.006 -7.097 15.933 1.00 0.00 C ATOM 133 OG SER A 8 6.392 -7.664 17.079 1.00 0.00 O ATOM 0 H SER A 8 9.022 -8.483 16.578 1.00 0.00 H new ATOM 0 HA SER A 8 6.829 -8.801 14.652 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.774 -6.388 16.241 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.267 -6.538 15.359 1.00 0.00 H new ATOM 0 HG SER A 8 6.002 -6.952 17.627 1.00 0.00 H new ATOM 139 N PRO A 9 7.714 -7.382 12.737 1.00 0.00 N ATOM 140 CA PRO A 9 8.341 -6.878 11.509 1.00 0.00 C ATOM 141 C PRO A 9 9.050 -5.531 11.684 1.00 0.00 C ATOM 142 O PRO A 9 10.150 -5.333 11.161 1.00 0.00 O ATOM 143 CB PRO A 9 7.166 -6.734 10.540 1.00 0.00 C ATOM 144 CG PRO A 9 6.132 -7.675 11.049 1.00 0.00 C ATOM 145 CD PRO A 9 6.284 -7.678 12.542 1.00 0.00 C ATOM 0 HA PRO A 9 9.126 -7.553 11.169 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.793 -5.710 10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.461 -6.985 9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.132 -7.353 10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.277 -8.675 10.639 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.650 -6.927 13.013 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.010 -8.641 12.972 1.00 0.00 H new ATOM 153 N GLU A 10 8.440 -4.614 12.427 1.00 0.00 N ATOM 154 CA GLU A 10 8.977 -3.259 12.543 1.00 0.00 C ATOM 155 C GLU A 10 10.205 -3.217 13.454 1.00 0.00 C ATOM 156 O GLU A 10 10.963 -2.245 13.437 1.00 0.00 O ATOM 157 CB GLU A 10 7.899 -2.280 13.033 1.00 0.00 C ATOM 158 CG GLU A 10 7.629 -2.305 14.534 1.00 0.00 C ATOM 159 CD GLU A 10 7.159 -3.648 15.051 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.376 -4.326 14.354 1.00 0.00 O ATOM 161 OE2 GLU A 10 7.573 -4.025 16.167 1.00 0.00 O ATOM 0 H GLU A 10 7.582 -4.779 12.954 1.00 0.00 H new ATOM 0 HA GLU A 10 9.294 -2.947 11.548 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.194 -1.269 12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.968 -2.498 12.509 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.540 -2.022 15.062 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.877 -1.552 14.770 1.00 0.00 H new ATOM 168 N VAL A 11 10.407 -4.282 14.228 1.00 0.00 N ATOM 169 CA VAL A 11 11.584 -4.404 15.086 1.00 0.00 C ATOM 170 C VAL A 11 12.855 -4.332 14.244 1.00 0.00 C ATOM 171 O VAL A 11 13.870 -3.770 14.662 1.00 0.00 O ATOM 172 CB VAL A 11 11.564 -5.730 15.891 1.00 0.00 C ATOM 173 CG1 VAL A 11 12.849 -5.921 16.685 1.00 0.00 C ATOM 174 CG2 VAL A 11 10.366 -5.767 16.827 1.00 0.00 C ATOM 0 H VAL A 11 9.768 -5.076 14.278 1.00 0.00 H new ATOM 0 HA VAL A 11 11.567 -3.576 15.795 1.00 0.00 H new ATOM 0 HB VAL A 11 11.484 -6.547 15.174 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.800 -6.860 17.237 1.00 0.00 H new ATOM 0 HG12 VAL A 11 13.698 -5.945 16.002 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.970 -5.095 17.385 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.368 -6.704 17.384 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.423 -4.931 17.524 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.447 -5.693 16.245 1.00 0.00 H new ATOM 184 N ARG A 12 12.773 -4.882 13.038 1.00 0.00 N ATOM 185 CA ARG A 12 13.889 -4.862 12.105 1.00 0.00 C ATOM 186 C ARG A 12 14.257 -3.425 11.747 1.00 0.00 C ATOM 187 O ARG A 12 15.421 -3.038 11.816 1.00 0.00 O ATOM 188 CB ARG A 12 13.523 -5.638 10.845 1.00 0.00 C ATOM 189 CG ARG A 12 14.646 -5.726 9.826 1.00 0.00 C ATOM 190 CD ARG A 12 14.157 -6.339 8.524 1.00 0.00 C ATOM 191 NE ARG A 12 13.102 -5.538 7.904 1.00 0.00 N ATOM 192 CZ ARG A 12 12.638 -5.736 6.671 1.00 0.00 C ATOM 193 NH1 ARG A 12 13.072 -6.762 5.948 1.00 0.00 N ATOM 194 NH2 ARG A 12 11.716 -4.924 6.170 1.00 0.00 N ATOM 0 H ARG A 12 11.939 -5.350 12.683 1.00 0.00 H new ATOM 0 HA ARG A 12 14.751 -5.333 12.577 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.222 -6.647 11.127 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.659 -5.166 10.378 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.047 -4.730 9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.462 -6.326 10.230 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.993 -6.435 7.832 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.784 -7.345 8.715 1.00 0.00 H new ATOM 0 HE ARG A 12 12.695 -4.779 8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.764 -7.403 6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.713 -6.909 5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.362 -4.148 6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.361 -5.076 5.226 1.00 0.00 H new ATOM 208 N GLN A 13 13.250 -2.637 11.380 1.00 0.00 N ATOM 209 CA GLN A 13 13.460 -1.233 11.038 1.00 0.00 C ATOM 210 C GLN A 13 14.019 -0.469 12.232 1.00 0.00 C ATOM 211 O GLN A 13 14.924 0.357 12.088 1.00 0.00 O ATOM 212 CB GLN A 13 12.152 -0.580 10.587 1.00 0.00 C ATOM 213 CG GLN A 13 12.295 0.907 10.280 1.00 0.00 C ATOM 214 CD GLN A 13 10.961 1.594 10.074 1.00 0.00 C ATOM 215 OE1 GLN A 13 9.949 1.193 10.648 1.00 0.00 O ATOM 216 NE2 GLN A 13 10.951 2.644 9.268 1.00 0.00 N ATOM 0 H GLN A 13 12.281 -2.947 11.312 1.00 0.00 H new ATOM 0 HA GLN A 13 14.177 -1.195 10.218 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.785 -1.094 9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.400 -0.713 11.365 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.826 1.393 11.098 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.905 1.032 9.385 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.812 2.944 8.811 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.082 3.153 9.104 1.00 0.00 H new ATOM 225 N ARG A 14 13.477 -0.758 13.410 1.00 0.00 N ATOM 226 CA ARG A 14 13.914 -0.102 14.634 1.00 0.00 C ATOM 227 C ARG A 14 15.397 -0.360 14.872 1.00 0.00 C ATOM 228 O ARG A 14 16.148 0.550 15.223 1.00 0.00 O ATOM 229 CB ARG A 14 13.097 -0.598 15.827 1.00 0.00 C ATOM 230 CG ARG A 14 13.195 0.311 17.038 1.00 0.00 C ATOM 231 CD ARG A 14 12.462 -0.261 18.241 1.00 0.00 C ATOM 232 NE ARG A 14 12.223 0.768 19.250 1.00 0.00 N ATOM 233 CZ ARG A 14 12.728 0.749 20.482 1.00 0.00 C ATOM 234 NH1 ARG A 14 13.474 -0.270 20.892 1.00 0.00 N ATOM 235 NH2 ARG A 14 12.476 1.753 21.310 1.00 0.00 N ATOM 0 H ARG A 14 12.733 -1.443 13.542 1.00 0.00 H new ATOM 0 HA ARG A 14 13.757 0.971 14.525 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.052 -0.687 15.531 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.437 -1.597 16.102 1.00 0.00 H new ATOM 0 HG2 ARG A 14 14.244 0.465 17.292 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.780 1.289 16.792 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.512 -0.689 17.922 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.047 -1.072 18.675 1.00 0.00 H new ATOM 0 HE ARG A 14 11.628 1.556 18.993 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.665 -1.048 20.261 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.856 -0.274 21.838 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.898 2.535 21.002 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.860 1.744 22.255 1.00 0.00 H new ATOM 249 N ALA A 15 15.810 -1.601 14.655 1.00 0.00 N ATOM 250 CA ALA A 15 17.204 -1.987 14.814 1.00 0.00 C ATOM 251 C ALA A 15 18.097 -1.214 13.851 1.00 0.00 C ATOM 252 O ALA A 15 19.171 -0.741 14.228 1.00 0.00 O ATOM 253 CB ALA A 15 17.358 -3.483 14.601 1.00 0.00 C ATOM 0 H ALA A 15 15.195 -2.362 14.367 1.00 0.00 H new ATOM 0 HA ALA A 15 17.516 -1.742 15.829 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.405 -3.762 14.722 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.753 -4.019 15.332 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.027 -3.743 13.596 1.00 0.00 H new ATOM 259 N VAL A 16 17.641 -1.081 12.612 1.00 0.00 N ATOM 260 CA VAL A 16 18.379 -0.341 11.594 1.00 0.00 C ATOM 261 C VAL A 16 18.530 1.124 11.994 1.00 0.00 C ATOM 262 O VAL A 16 19.613 1.702 11.874 1.00 0.00 O ATOM 263 CB VAL A 16 17.688 -0.424 10.212 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.476 0.348 9.164 1.00 0.00 C ATOM 265 CG2 VAL A 16 17.520 -1.872 9.781 1.00 0.00 C ATOM 0 H VAL A 16 16.760 -1.478 12.286 1.00 0.00 H new ATOM 0 HA VAL A 16 19.364 -0.802 11.517 1.00 0.00 H new ATOM 0 HB VAL A 16 16.701 0.029 10.304 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.970 0.275 8.201 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.545 1.395 9.459 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.478 -0.072 9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.032 -1.907 8.807 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.498 -2.348 9.714 1.00 0.00 H new ATOM 0 HG23 VAL A 16 16.909 -2.401 10.512 1.00 0.00 H new ATOM 275 N ARG A 17 17.446 1.719 12.486 1.00 0.00 N ATOM 276 CA ARG A 17 17.469 3.118 12.902 1.00 0.00 C ATOM 277 C ARG A 17 18.448 3.323 14.056 1.00 0.00 C ATOM 278 O ARG A 17 19.132 4.340 14.120 1.00 0.00 O ATOM 279 CB ARG A 17 16.076 3.598 13.318 1.00 0.00 C ATOM 280 CG ARG A 17 16.041 5.082 13.658 1.00 0.00 C ATOM 281 CD ARG A 17 14.693 5.522 14.208 1.00 0.00 C ATOM 282 NE ARG A 17 14.702 6.942 14.561 1.00 0.00 N ATOM 283 CZ ARG A 17 14.307 7.425 15.740 1.00 0.00 C ATOM 284 NH1 ARG A 17 13.766 6.619 16.647 1.00 0.00 N ATOM 285 NH2 ARG A 17 14.420 8.723 16.000 1.00 0.00 N ATOM 0 H ARG A 17 16.545 1.256 12.606 1.00 0.00 H new ATOM 0 HA ARG A 17 17.797 3.707 12.046 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.372 3.398 12.511 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.742 3.024 14.182 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.818 5.302 14.390 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.272 5.662 12.764 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.916 5.334 13.467 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.445 4.928 15.087 1.00 0.00 H new ATOM 0 HE ARG A 17 15.032 7.606 13.860 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.651 5.626 16.443 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.466 6.993 17.547 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.809 9.352 15.298 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.117 9.091 16.902 1.00 0.00 H new ATOM 299 N MET A 18 18.510 2.349 14.960 1.00 0.00 N ATOM 300 CA MET A 18 19.447 2.400 16.081 1.00 0.00 C ATOM 301 C MET A 18 20.875 2.552 15.571 1.00 0.00 C ATOM 302 O MET A 18 21.630 3.399 16.049 1.00 0.00 O ATOM 303 CB MET A 18 19.336 1.135 16.939 1.00 0.00 C ATOM 304 CG MET A 18 18.004 0.988 17.659 1.00 0.00 C ATOM 305 SD MET A 18 17.746 2.244 18.926 1.00 0.00 S ATOM 306 CE MET A 18 19.029 1.809 20.099 1.00 0.00 C ATOM 0 H MET A 18 17.923 1.515 14.939 1.00 0.00 H new ATOM 0 HA MET A 18 19.193 3.263 16.696 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.492 0.263 16.304 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.138 1.138 17.678 1.00 0.00 H new ATOM 0 HG2 MET A 18 17.195 1.043 16.930 1.00 0.00 H new ATOM 0 HG3 MET A 18 17.952 0.001 18.118 1.00 0.00 H new ATOM 0 HE1 MET A 18 18.792 2.237 21.073 1.00 0.00 H new ATOM 0 HE2 MET A 18 19.091 0.724 20.185 1.00 0.00 H new ATOM 0 HE3 MET A 18 19.986 2.201 19.754 1.00 0.00 H new ATOM 316 N VAL A 19 21.228 1.742 14.580 1.00 0.00 N ATOM 317 CA VAL A 19 22.552 1.808 13.975 1.00 0.00 C ATOM 318 C VAL A 19 22.765 3.163 13.309 1.00 0.00 C ATOM 319 O VAL A 19 23.776 3.818 13.534 1.00 0.00 O ATOM 320 CB VAL A 19 22.756 0.697 12.923 1.00 0.00 C ATOM 321 CG1 VAL A 19 24.170 0.738 12.359 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.457 -0.667 13.519 1.00 0.00 C ATOM 0 H VAL A 19 20.616 1.032 14.179 1.00 0.00 H new ATOM 0 HA VAL A 19 23.278 1.667 14.776 1.00 0.00 H new ATOM 0 HB VAL A 19 22.059 0.874 12.104 1.00 0.00 H new ATOM 0 HG11 VAL A 19 24.290 -0.054 11.620 1.00 0.00 H new ATOM 0 HG12 VAL A 19 24.345 1.705 11.887 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.888 0.593 13.166 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.607 -1.436 12.761 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.126 -0.851 14.360 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.424 -0.695 13.864 1.00 0.00 H new ATOM 332 N LEU A 20 21.791 3.579 12.504 1.00 0.00 N ATOM 333 CA LEU A 20 21.886 4.829 11.750 1.00 0.00 C ATOM 334 C LEU A 20 22.053 6.037 12.669 1.00 0.00 C ATOM 335 O LEU A 20 22.894 6.905 12.421 1.00 0.00 O ATOM 336 CB LEU A 20 20.644 5.014 10.872 1.00 0.00 C ATOM 337 CG LEU A 20 20.462 3.968 9.774 1.00 0.00 C ATOM 338 CD1 LEU A 20 19.165 4.213 9.023 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.638 3.991 8.811 1.00 0.00 C ATOM 0 H LEU A 20 20.922 3.067 12.356 1.00 0.00 H new ATOM 0 HA LEU A 20 22.773 4.763 11.120 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.762 5.003 11.512 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.690 6.000 10.409 1.00 0.00 H new ATOM 0 HG LEU A 20 20.418 2.984 10.241 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.048 3.460 8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.326 4.151 9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.189 5.204 8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.489 3.239 8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.712 4.976 8.350 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.558 3.775 9.355 1.00 0.00 H new ATOM 351 N GLU A 21 21.258 6.088 13.731 1.00 0.00 N ATOM 352 CA GLU A 21 21.279 7.219 14.652 1.00 0.00 C ATOM 353 C GLU A 21 22.637 7.346 15.339 1.00 0.00 C ATOM 354 O GLU A 21 23.162 8.451 15.496 1.00 0.00 O ATOM 355 CB GLU A 21 20.163 7.085 15.694 1.00 0.00 C ATOM 356 CG GLU A 21 20.020 8.311 16.585 1.00 0.00 C ATOM 357 CD GLU A 21 18.931 8.166 17.630 1.00 0.00 C ATOM 358 OE1 GLU A 21 17.769 8.513 17.339 1.00 0.00 O ATOM 359 OE2 GLU A 21 19.240 7.722 18.756 1.00 0.00 O ATOM 0 H GLU A 21 20.589 5.358 13.976 1.00 0.00 H new ATOM 0 HA GLU A 21 21.108 8.126 14.072 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.218 6.904 15.182 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.360 6.213 16.317 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.970 8.502 17.084 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.805 9.181 15.964 1.00 0.00 H new ATOM 366 N SER A 22 23.206 6.219 15.734 1.00 0.00 N ATOM 367 CA SER A 22 24.511 6.221 16.376 1.00 0.00 C ATOM 368 C SER A 22 25.629 6.388 15.344 1.00 0.00 C ATOM 369 O SER A 22 26.695 6.915 15.657 1.00 0.00 O ATOM 370 CB SER A 22 24.701 4.935 17.181 1.00 0.00 C ATOM 371 OG SER A 22 23.704 4.813 18.186 1.00 0.00 O ATOM 0 H SER A 22 22.788 5.295 15.622 1.00 0.00 H new ATOM 0 HA SER A 22 24.560 7.070 17.058 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.658 4.074 16.514 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.689 4.932 17.641 1.00 0.00 H new ATOM 0 HG SER A 22 22.917 4.363 17.813 1.00 0.00 H new ATOM 377 N GLN A 23 25.372 5.955 14.110 1.00 0.00 N ATOM 378 CA GLN A 23 26.348 6.074 13.029 1.00 0.00 C ATOM 379 C GLN A 23 26.662 7.537 12.742 1.00 0.00 C ATOM 380 O GLN A 23 27.815 7.904 12.514 1.00 0.00 O ATOM 381 CB GLN A 23 25.828 5.396 11.758 1.00 0.00 C ATOM 382 CG GLN A 23 26.766 5.532 10.570 1.00 0.00 C ATOM 383 CD GLN A 23 26.184 4.979 9.288 1.00 0.00 C ATOM 384 OE1 GLN A 23 26.374 3.810 8.954 1.00 0.00 O ATOM 385 NE2 GLN A 23 25.469 5.820 8.559 1.00 0.00 N ATOM 0 H GLN A 23 24.493 5.517 13.834 1.00 0.00 H new ATOM 0 HA GLN A 23 27.264 5.576 13.347 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.664 4.338 11.962 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.860 5.824 11.497 1.00 0.00 H new ATOM 0 HG2 GLN A 23 27.011 6.584 10.427 1.00 0.00 H new ATOM 0 HG3 GLN A 23 27.700 5.015 10.791 1.00 0.00 H new ATOM 0 HE21 GLN A 23 25.336 6.781 8.873 1.00 0.00 H new ATOM 0 HE22 GLN A 23 25.051 5.507 7.683 1.00 0.00 H new ATOM 394 N GLY A 24 25.629 8.368 12.766 1.00 0.00 N ATOM 395 CA GLY A 24 25.813 9.789 12.544 1.00 0.00 C ATOM 396 C GLY A 24 26.307 10.492 13.791 1.00 0.00 C ATOM 397 O GLY A 24 26.636 11.678 13.763 1.00 0.00 O ATOM 0 H GLY A 24 24.664 8.083 12.936 1.00 0.00 H new ATOM 0 HA2 GLY A 24 26.526 9.941 11.734 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.870 10.233 12.226 1.00 0.00 H new ATOM 401 N GLU A 25 26.356 9.753 14.887 1.00 0.00 N ATOM 402 CA GLU A 25 26.827 10.281 16.154 1.00 0.00 C ATOM 403 C GLU A 25 28.318 10.005 16.307 1.00 0.00 C ATOM 404 O GLU A 25 29.086 10.876 16.722 1.00 0.00 O ATOM 405 CB GLU A 25 26.030 9.657 17.302 1.00 0.00 C ATOM 406 CG GLU A 25 26.413 10.175 18.674 1.00 0.00 C ATOM 407 CD GLU A 25 25.455 9.703 19.744 1.00 0.00 C ATOM 408 OE1 GLU A 25 25.624 8.577 20.250 1.00 0.00 O ATOM 409 OE2 GLU A 25 24.514 10.454 20.072 1.00 0.00 O ATOM 0 H GLU A 25 26.071 8.774 14.922 1.00 0.00 H new ATOM 0 HA GLU A 25 26.676 11.360 16.180 1.00 0.00 H new ATOM 0 HB2 GLU A 25 24.969 9.845 17.138 1.00 0.00 H new ATOM 0 HB3 GLU A 25 26.169 8.576 17.282 1.00 0.00 H new ATOM 0 HG2 GLU A 25 27.422 9.843 18.918 1.00 0.00 H new ATOM 0 HG3 GLU A 25 26.431 11.265 18.658 1.00 0.00 H new ATOM 416 N TYR A 26 28.723 8.796 15.946 1.00 0.00 N ATOM 417 CA TYR A 26 30.129 8.416 15.975 1.00 0.00 C ATOM 418 C TYR A 26 30.769 8.687 14.620 1.00 0.00 C ATOM 419 O TYR A 26 30.101 9.140 13.692 1.00 0.00 O ATOM 420 CB TYR A 26 30.281 6.935 16.333 1.00 0.00 C ATOM 421 CG TYR A 26 29.651 6.566 17.655 1.00 0.00 C ATOM 422 CD1 TYR A 26 29.985 7.250 18.815 1.00 0.00 C ATOM 423 CD2 TYR A 26 28.727 5.534 17.744 1.00 0.00 C ATOM 424 CE1 TYR A 26 29.412 6.920 20.027 1.00 0.00 C ATOM 425 CE2 TYR A 26 28.149 5.198 18.953 1.00 0.00 C ATOM 426 CZ TYR A 26 28.497 5.890 20.092 1.00 0.00 C ATOM 427 OH TYR A 26 27.929 5.552 21.300 1.00 0.00 O ATOM 0 H TYR A 26 28.095 8.058 15.628 1.00 0.00 H new ATOM 0 HA TYR A 26 30.631 9.012 16.737 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.832 6.331 15.545 1.00 0.00 H new ATOM 0 HB3 TYR A 26 31.341 6.684 16.362 1.00 0.00 H new ATOM 0 HD1 TYR A 26 30.705 8.054 18.769 1.00 0.00 H new ATOM 0 HD2 TYR A 26 28.456 4.985 16.854 1.00 0.00 H new ATOM 0 HE1 TYR A 26 29.679 7.466 20.920 1.00 0.00 H new ATOM 0 HE2 TYR A 26 27.427 4.396 19.005 1.00 0.00 H new ATOM 0 HH TYR A 26 27.305 4.807 21.171 1.00 0.00 H new ATOM 437 N ASP A 27 32.057 8.420 14.505 1.00 0.00 N ATOM 438 CA ASP A 27 32.750 8.603 13.237 1.00 0.00 C ATOM 439 C ASP A 27 32.877 7.272 12.520 1.00 0.00 C ATOM 440 O ASP A 27 32.609 7.167 11.325 1.00 0.00 O ATOM 441 CB ASP A 27 34.144 9.198 13.442 1.00 0.00 C ATOM 442 CG ASP A 27 34.118 10.602 14.009 1.00 0.00 C ATOM 443 OD1 ASP A 27 33.427 11.473 13.434 1.00 0.00 O ATOM 444 OD2 ASP A 27 34.809 10.846 15.021 1.00 0.00 O ATOM 0 H ASP A 27 32.643 8.078 15.266 1.00 0.00 H new ATOM 0 HA ASP A 27 32.163 9.297 12.636 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.712 8.553 14.113 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.671 9.208 12.488 1.00 0.00 H new ATOM 449 N SER A 28 33.270 6.254 13.265 1.00 0.00 N ATOM 450 CA SER A 28 33.515 4.941 12.694 1.00 0.00 C ATOM 451 C SER A 28 32.219 4.139 12.553 1.00 0.00 C ATOM 452 O SER A 28 31.534 3.866 13.543 1.00 0.00 O ATOM 453 CB SER A 28 34.508 4.186 13.567 1.00 0.00 C ATOM 454 OG SER A 28 35.699 4.931 13.755 1.00 0.00 O ATOM 0 H SER A 28 33.427 6.312 14.271 1.00 0.00 H new ATOM 0 HA SER A 28 33.930 5.074 11.695 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.055 3.971 14.535 1.00 0.00 H new ATOM 0 HB3 SER A 28 34.745 3.227 13.106 1.00 0.00 H new ATOM 0 HG SER A 28 36.317 4.423 14.321 1.00 0.00 H new ATOM 460 N GLN A 29 31.896 3.757 11.319 1.00 0.00 N ATOM 461 CA GLN A 29 30.697 2.969 11.046 1.00 0.00 C ATOM 462 C GLN A 29 30.818 1.568 11.645 1.00 0.00 C ATOM 463 O GLN A 29 29.892 1.077 12.289 1.00 0.00 O ATOM 464 CB GLN A 29 30.455 2.868 9.536 1.00 0.00 C ATOM 465 CG GLN A 29 29.274 1.985 9.159 1.00 0.00 C ATOM 466 CD GLN A 29 29.114 1.841 7.659 1.00 0.00 C ATOM 467 OE1 GLN A 29 29.689 0.942 7.043 1.00 0.00 O ATOM 468 NE2 GLN A 29 28.307 2.705 7.066 1.00 0.00 N ATOM 0 H GLN A 29 32.449 3.981 10.492 1.00 0.00 H new ATOM 0 HA GLN A 29 29.850 3.475 11.510 1.00 0.00 H new ATOM 0 HB2 GLN A 29 30.290 3.869 9.137 1.00 0.00 H new ATOM 0 HB3 GLN A 29 31.354 2.479 9.059 1.00 0.00 H new ATOM 0 HG2 GLN A 29 29.405 0.999 9.604 1.00 0.00 H new ATOM 0 HG3 GLN A 29 28.361 2.406 9.580 1.00 0.00 H new ATOM 0 HE21 GLN A 29 27.850 3.435 7.613 1.00 0.00 H new ATOM 0 HE22 GLN A 29 28.141 2.642 6.062 1.00 0.00 H new ATOM 477 N TRP A 30 31.973 0.945 11.436 1.00 0.00 N ATOM 478 CA TRP A 30 32.229 -0.405 11.929 1.00 0.00 C ATOM 479 C TRP A 30 32.059 -0.453 13.447 1.00 0.00 C ATOM 480 O TRP A 30 31.354 -1.316 13.976 1.00 0.00 O ATOM 481 CB TRP A 30 33.649 -0.833 11.543 1.00 0.00 C ATOM 482 CG TRP A 30 33.894 -2.319 11.585 1.00 0.00 C ATOM 483 CD1 TRP A 30 33.474 -3.211 12.533 1.00 0.00 C ATOM 484 CD2 TRP A 30 34.651 -3.075 10.635 1.00 0.00 C ATOM 485 NE1 TRP A 30 33.915 -4.474 12.219 1.00 0.00 N ATOM 486 CE2 TRP A 30 34.640 -4.415 11.061 1.00 0.00 C ATOM 487 CE3 TRP A 30 35.335 -2.747 9.463 1.00 0.00 C ATOM 488 CZ2 TRP A 30 35.283 -5.426 10.354 1.00 0.00 C ATOM 489 CZ3 TRP A 30 35.975 -3.749 8.762 1.00 0.00 C ATOM 490 CH2 TRP A 30 35.947 -5.076 9.212 1.00 0.00 C ATOM 0 H TRP A 30 32.753 1.357 10.924 1.00 0.00 H new ATOM 0 HA TRP A 30 31.513 -1.092 11.477 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.861 -0.472 10.537 1.00 0.00 H new ATOM 0 HB3 TRP A 30 34.356 -0.343 12.213 1.00 0.00 H new ATOM 0 HD1 TRP A 30 32.883 -2.960 13.401 1.00 0.00 H new ATOM 0 HE1 TRP A 30 33.731 -5.318 12.761 1.00 0.00 H new ATOM 0 HE3 TRP A 30 35.363 -1.726 9.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 35.258 -6.450 10.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 36.505 -3.507 7.853 1.00 0.00 H new ATOM 0 HH2 TRP A 30 36.461 -5.838 8.644 1.00 0.00 H new ATOM 501 N ALA A 31 32.706 0.485 14.138 1.00 0.00 N ATOM 502 CA ALA A 31 32.590 0.601 15.588 1.00 0.00 C ATOM 503 C ALA A 31 31.133 0.733 16.011 1.00 0.00 C ATOM 504 O ALA A 31 30.700 0.102 16.974 1.00 0.00 O ATOM 505 CB ALA A 31 33.392 1.793 16.093 1.00 0.00 C ATOM 0 H ALA A 31 33.320 1.179 13.712 1.00 0.00 H new ATOM 0 HA ALA A 31 32.994 -0.309 16.031 1.00 0.00 H new ATOM 0 HB1 ALA A 31 33.294 1.865 17.176 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.442 1.662 15.831 1.00 0.00 H new ATOM 0 HB3 ALA A 31 33.015 2.706 15.633 1.00 0.00 H new ATOM 511 N THR A 32 30.382 1.551 15.280 1.00 0.00 N ATOM 512 CA THR A 32 28.964 1.735 15.544 1.00 0.00 C ATOM 513 C THR A 32 28.221 0.407 15.417 1.00 0.00 C ATOM 514 O THR A 32 27.516 -0.012 16.335 1.00 0.00 O ATOM 515 CB THR A 32 28.351 2.764 14.574 1.00 0.00 C ATOM 516 OG1 THR A 32 29.055 4.008 14.670 1.00 0.00 O ATOM 517 CG2 THR A 32 26.880 2.985 14.880 1.00 0.00 C ATOM 0 H THR A 32 30.737 2.099 14.496 1.00 0.00 H new ATOM 0 HA THR A 32 28.860 2.109 16.562 1.00 0.00 H new ATOM 0 HB THR A 32 28.441 2.373 13.560 1.00 0.00 H new ATOM 0 HG1 THR A 32 29.967 3.895 14.329 1.00 0.00 H new ATOM 0 HG21 THR A 32 26.469 3.715 14.183 1.00 0.00 H new ATOM 0 HG22 THR A 32 26.342 2.043 14.778 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.772 3.356 15.899 1.00 0.00 H new ATOM 525 N ILE A 33 28.413 -0.260 14.285 1.00 0.00 N ATOM 526 CA ILE A 33 27.785 -1.553 14.024 1.00 0.00 C ATOM 527 C ILE A 33 28.088 -2.554 15.143 1.00 0.00 C ATOM 528 O ILE A 33 27.196 -3.246 15.638 1.00 0.00 O ATOM 529 CB ILE A 33 28.270 -2.128 12.673 1.00 0.00 C ATOM 530 CG1 ILE A 33 27.770 -1.258 11.516 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.810 -3.569 12.494 1.00 0.00 C ATOM 532 CD1 ILE A 33 28.253 -1.715 10.155 1.00 0.00 C ATOM 0 H ILE A 33 29.005 0.076 13.525 1.00 0.00 H new ATOM 0 HA ILE A 33 26.708 -1.392 13.983 1.00 0.00 H new ATOM 0 HB ILE A 33 29.360 -2.121 12.672 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.680 -1.253 11.522 1.00 0.00 H new ATOM 0 HG13 ILE A 33 28.094 -0.230 11.680 1.00 0.00 H new ATOM 0 HG21 ILE A 33 28.165 -3.948 11.536 1.00 0.00 H new ATOM 0 HG22 ILE A 33 28.214 -4.183 13.299 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.721 -3.609 12.519 1.00 0.00 H new ATOM 0 HD11 ILE A 33 27.858 -1.050 9.387 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.342 -1.693 10.129 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.907 -2.731 9.968 1.00 0.00 H new ATOM 544 N CYS A 34 29.345 -2.600 15.555 1.00 0.00 N ATOM 545 CA CYS A 34 29.788 -3.551 16.562 1.00 0.00 C ATOM 546 C CYS A 34 29.290 -3.167 17.958 1.00 0.00 C ATOM 547 O CYS A 34 29.286 -3.991 18.868 1.00 0.00 O ATOM 548 CB CYS A 34 31.316 -3.640 16.551 1.00 0.00 C ATOM 549 SG CYS A 34 31.990 -4.919 17.634 1.00 0.00 S ATOM 0 H CYS A 34 30.080 -1.986 15.205 1.00 0.00 H new ATOM 0 HA CYS A 34 29.364 -4.525 16.318 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.651 -3.830 15.531 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.727 -2.675 16.847 1.00 0.00 H new ATOM 0 HG CYS A 34 31.191 -5.098 18.644 1.00 0.00 H new ATOM 555 N SER A 35 28.861 -1.922 18.125 1.00 0.00 N ATOM 556 CA SER A 35 28.396 -1.455 19.427 1.00 0.00 C ATOM 557 C SER A 35 26.877 -1.563 19.551 1.00 0.00 C ATOM 558 O SER A 35 26.336 -1.594 20.656 1.00 0.00 O ATOM 559 CB SER A 35 28.843 -0.016 19.662 1.00 0.00 C ATOM 560 OG SER A 35 30.253 0.086 19.594 1.00 0.00 O ATOM 0 H SER A 35 28.825 -1.223 17.383 1.00 0.00 H new ATOM 0 HA SER A 35 28.839 -2.096 20.189 1.00 0.00 H new ATOM 0 HB2 SER A 35 28.390 0.637 18.917 1.00 0.00 H new ATOM 0 HB3 SER A 35 28.495 0.324 20.638 1.00 0.00 H new ATOM 0 HG SER A 35 30.517 0.369 18.694 1.00 0.00 H new ATOM 566 N ILE A 36 26.190 -1.613 18.417 1.00 0.00 N ATOM 567 CA ILE A 36 24.741 -1.775 18.415 1.00 0.00 C ATOM 568 C ILE A 36 24.380 -3.257 18.476 1.00 0.00 C ATOM 569 O ILE A 36 23.337 -3.636 19.010 1.00 0.00 O ATOM 570 CB ILE A 36 24.101 -1.130 17.163 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.495 0.346 17.060 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.585 -1.267 17.194 1.00 0.00 C ATOM 573 CD1 ILE A 36 24.037 1.190 18.233 1.00 0.00 C ATOM 0 H ILE A 36 26.610 -1.544 17.490 1.00 0.00 H new ATOM 0 HA ILE A 36 24.347 -1.267 19.295 1.00 0.00 H new ATOM 0 HB ILE A 36 24.475 -1.656 16.285 1.00 0.00 H new ATOM 0 HG12 ILE A 36 25.579 0.417 16.976 1.00 0.00 H new ATOM 0 HG13 ILE A 36 24.077 0.760 16.143 1.00 0.00 H new ATOM 0 HG21 ILE A 36 22.160 -0.805 16.303 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.316 -2.323 17.220 1.00 0.00 H new ATOM 0 HG23 ILE A 36 22.193 -0.771 18.082 1.00 0.00 H new ATOM 0 HD11 ILE A 36 24.355 2.222 18.085 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.950 1.152 18.306 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.476 0.804 19.153 1.00 0.00 H new ATOM 585 N ALA A 37 25.279 -4.086 17.953 1.00 0.00 N ATOM 586 CA ALA A 37 25.087 -5.533 17.924 1.00 0.00 C ATOM 587 C ALA A 37 24.735 -6.113 19.305 1.00 0.00 C ATOM 588 O ALA A 37 23.737 -6.826 19.426 1.00 0.00 O ATOM 589 CB ALA A 37 26.322 -6.217 17.348 1.00 0.00 C ATOM 0 H ALA A 37 26.158 -3.775 17.539 1.00 0.00 H new ATOM 0 HA ALA A 37 24.233 -5.731 17.277 1.00 0.00 H new ATOM 0 HB1 ALA A 37 26.166 -7.296 17.332 1.00 0.00 H new ATOM 0 HB2 ALA A 37 26.495 -5.860 16.333 1.00 0.00 H new ATOM 0 HB3 ALA A 37 27.189 -5.985 17.967 1.00 0.00 H new ATOM 595 N PRO A 38 25.521 -5.821 20.373 1.00 0.00 N ATOM 596 CA PRO A 38 25.258 -6.369 21.709 1.00 0.00 C ATOM 597 C PRO A 38 24.009 -5.775 22.348 1.00 0.00 C ATOM 598 O PRO A 38 23.417 -6.374 23.245 1.00 0.00 O ATOM 599 CB PRO A 38 26.502 -5.994 22.528 1.00 0.00 C ATOM 600 CG PRO A 38 27.505 -5.515 21.532 1.00 0.00 C ATOM 601 CD PRO A 38 26.714 -4.962 20.387 1.00 0.00 C ATOM 0 HA PRO A 38 25.077 -7.443 21.664 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.272 -5.218 23.258 1.00 0.00 H new ATOM 0 HB3 PRO A 38 26.880 -6.852 23.084 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.152 -4.752 21.965 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.150 -6.330 21.204 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.457 -3.914 20.541 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.266 -5.020 19.449 1.00 0.00 H new ATOM 609 N LYS A 39 23.607 -4.599 21.883 1.00 0.00 N ATOM 610 CA LYS A 39 22.419 -3.939 22.413 1.00 0.00 C ATOM 611 C LYS A 39 21.157 -4.621 21.897 1.00 0.00 C ATOM 612 O LYS A 39 20.147 -4.694 22.595 1.00 0.00 O ATOM 613 CB LYS A 39 22.410 -2.454 22.037 1.00 0.00 C ATOM 614 CG LYS A 39 23.518 -1.649 22.698 1.00 0.00 C ATOM 615 CD LYS A 39 23.356 -1.609 24.210 1.00 0.00 C ATOM 616 CE LYS A 39 24.501 -0.864 24.877 1.00 0.00 C ATOM 617 NZ LYS A 39 24.316 -0.763 26.349 1.00 0.00 N ATOM 0 H LYS A 39 24.083 -4.084 21.143 1.00 0.00 H new ATOM 0 HA LYS A 39 22.441 -4.019 23.500 1.00 0.00 H new ATOM 0 HB2 LYS A 39 22.502 -2.362 20.955 1.00 0.00 H new ATOM 0 HB3 LYS A 39 21.447 -2.024 22.313 1.00 0.00 H new ATOM 0 HG2 LYS A 39 24.485 -2.085 22.447 1.00 0.00 H new ATOM 0 HG3 LYS A 39 23.515 -0.633 22.304 1.00 0.00 H new ATOM 0 HD2 LYS A 39 22.412 -1.127 24.462 1.00 0.00 H new ATOM 0 HD3 LYS A 39 23.308 -2.626 24.598 1.00 0.00 H new ATOM 0 HE2 LYS A 39 25.440 -1.375 24.664 1.00 0.00 H new ATOM 0 HE3 LYS A 39 24.579 0.137 24.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 25.118 -0.248 26.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 23.433 -0.253 26.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 24.267 -1.718 26.759 1.00 0.00 H new ATOM 631 N ILE A 40 21.228 -5.119 20.672 1.00 0.00 N ATOM 632 CA ILE A 40 20.115 -5.841 20.076 1.00 0.00 C ATOM 633 C ILE A 40 20.179 -7.317 20.453 1.00 0.00 C ATOM 634 O ILE A 40 19.172 -7.928 20.817 1.00 0.00 O ATOM 635 CB ILE A 40 20.122 -5.704 18.540 1.00 0.00 C ATOM 636 CG1 ILE A 40 20.123 -4.225 18.144 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.920 -6.417 17.933 1.00 0.00 C ATOM 638 CD1 ILE A 40 20.238 -3.995 16.653 1.00 0.00 C ATOM 0 H ILE A 40 22.047 -5.036 20.070 1.00 0.00 H new ATOM 0 HA ILE A 40 19.193 -5.406 20.461 1.00 0.00 H new ATOM 0 HB ILE A 40 21.027 -6.171 18.153 1.00 0.00 H new ATOM 0 HG12 ILE A 40 19.205 -3.761 18.505 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.952 -3.724 18.645 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.942 -6.309 16.849 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.955 -7.475 18.193 1.00 0.00 H new ATOM 0 HG23 ILE A 40 18.002 -5.978 18.322 1.00 0.00 H new ATOM 0 HD11 ILE A 40 20.232 -2.924 16.448 1.00 0.00 H new ATOM 0 HD12 ILE A 40 21.169 -4.429 16.289 1.00 0.00 H new ATOM 0 HD13 ILE A 40 19.396 -4.466 16.146 1.00 0.00 H new ATOM 650 N GLY A 41 21.377 -7.876 20.383 1.00 0.00 N ATOM 651 CA GLY A 41 21.557 -9.280 20.680 1.00 0.00 C ATOM 652 C GLY A 41 21.811 -10.090 19.430 1.00 0.00 C ATOM 653 O GLY A 41 21.187 -11.131 19.214 1.00 0.00 O ATOM 0 H GLY A 41 22.230 -7.380 20.125 1.00 0.00 H new ATOM 0 HA2 GLY A 41 22.394 -9.402 21.368 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.670 -9.661 21.186 1.00 0.00 H new ATOM 657 N CYS A 42 22.722 -9.608 18.600 1.00 0.00 N ATOM 658 CA CYS A 42 23.045 -10.266 17.348 1.00 0.00 C ATOM 659 C CYS A 42 24.480 -9.959 16.948 1.00 0.00 C ATOM 660 O CYS A 42 25.127 -9.107 17.553 1.00 0.00 O ATOM 661 CB CYS A 42 22.080 -9.809 16.251 1.00 0.00 C ATOM 662 SG CYS A 42 21.989 -8.014 16.048 1.00 0.00 S ATOM 0 H CYS A 42 23.254 -8.756 18.775 1.00 0.00 H new ATOM 0 HA CYS A 42 22.943 -11.343 17.480 1.00 0.00 H new ATOM 0 HB2 CYS A 42 22.385 -10.256 15.305 1.00 0.00 H new ATOM 0 HB3 CYS A 42 21.084 -10.189 16.477 1.00 0.00 H new ATOM 0 HG CYS A 42 20.982 -7.714 15.282 1.00 0.00 H new ATOM 668 N THR A 43 24.966 -10.653 15.932 1.00 0.00 N ATOM 669 CA THR A 43 26.311 -10.444 15.428 1.00 0.00 C ATOM 670 C THR A 43 26.379 -9.173 14.591 1.00 0.00 C ATOM 671 O THR A 43 25.398 -8.808 13.938 1.00 0.00 O ATOM 672 CB THR A 43 26.752 -11.636 14.565 1.00 0.00 C ATOM 673 OG1 THR A 43 25.745 -11.907 13.579 1.00 0.00 O ATOM 674 CG2 THR A 43 26.981 -12.870 15.421 1.00 0.00 C ATOM 0 H THR A 43 24.441 -11.374 15.436 1.00 0.00 H new ATOM 0 HA THR A 43 26.978 -10.348 16.285 1.00 0.00 H new ATOM 0 HB THR A 43 27.692 -11.383 14.074 1.00 0.00 H new ATOM 0 HG1 THR A 43 26.025 -12.666 13.026 1.00 0.00 H new ATOM 0 HG21 THR A 43 27.292 -13.700 14.787 1.00 0.00 H new ATOM 0 HG22 THR A 43 27.759 -12.664 16.156 1.00 0.00 H new ATOM 0 HG23 THR A 43 26.056 -13.133 15.935 1.00 0.00 H new ATOM 682 N PRO A 44 27.533 -8.480 14.594 1.00 0.00 N ATOM 683 CA PRO A 44 27.735 -7.276 13.778 1.00 0.00 C ATOM 684 C PRO A 44 27.516 -7.550 12.289 1.00 0.00 C ATOM 685 O PRO A 44 27.190 -6.648 11.516 1.00 0.00 O ATOM 686 CB PRO A 44 29.193 -6.895 14.052 1.00 0.00 C ATOM 687 CG PRO A 44 29.523 -7.533 15.359 1.00 0.00 C ATOM 688 CD PRO A 44 28.723 -8.802 15.407 1.00 0.00 C ATOM 0 HA PRO A 44 27.028 -6.486 14.030 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.850 -7.256 13.260 1.00 0.00 H new ATOM 0 HB3 PRO A 44 29.315 -5.813 14.100 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.590 -7.740 15.435 1.00 0.00 H new ATOM 0 HG3 PRO A 44 29.266 -6.877 16.191 1.00 0.00 H new ATOM 0 HD2 PRO A 44 29.278 -9.644 14.993 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.453 -9.070 16.429 1.00 0.00 H new ATOM 696 N GLU A 45 27.689 -8.809 11.905 1.00 0.00 N ATOM 697 CA GLU A 45 27.422 -9.262 10.545 1.00 0.00 C ATOM 698 C GLU A 45 25.958 -9.025 10.189 1.00 0.00 C ATOM 699 O GLU A 45 25.633 -8.621 9.074 1.00 0.00 O ATOM 700 CB GLU A 45 27.745 -10.751 10.431 1.00 0.00 C ATOM 701 CG GLU A 45 29.147 -11.102 10.897 1.00 0.00 C ATOM 702 CD GLU A 45 29.317 -12.583 11.163 1.00 0.00 C ATOM 703 OE1 GLU A 45 28.826 -13.061 12.208 1.00 0.00 O ATOM 704 OE2 GLU A 45 29.951 -13.274 10.342 1.00 0.00 O ATOM 0 H GLU A 45 28.019 -9.546 12.529 1.00 0.00 H new ATOM 0 HA GLU A 45 28.048 -8.699 9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 45 27.023 -11.318 11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 45 27.627 -11.062 9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 45 29.867 -10.787 10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 45 29.374 -10.545 11.806 1.00 0.00 H new ATOM 711 N THR A 46 25.085 -9.252 11.162 1.00 0.00 N ATOM 712 CA THR A 46 23.652 -9.111 10.961 1.00 0.00 C ATOM 713 C THR A 46 23.277 -7.649 10.714 1.00 0.00 C ATOM 714 O THR A 46 22.415 -7.351 9.887 1.00 0.00 O ATOM 715 CB THR A 46 22.877 -9.653 12.181 1.00 0.00 C ATOM 716 OG1 THR A 46 23.347 -10.967 12.511 1.00 0.00 O ATOM 717 CG2 THR A 46 21.384 -9.711 11.898 1.00 0.00 C ATOM 0 H THR A 46 25.349 -9.537 12.105 1.00 0.00 H new ATOM 0 HA THR A 46 23.379 -9.693 10.081 1.00 0.00 H new ATOM 0 HB THR A 46 23.047 -8.976 13.018 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.231 -10.903 12.929 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.862 -10.096 12.774 1.00 0.00 H new ATOM 0 HG22 THR A 46 21.018 -8.710 11.669 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.200 -10.368 11.048 1.00 0.00 H new ATOM 725 N LEU A 47 23.950 -6.737 11.416 1.00 0.00 N ATOM 726 CA LEU A 47 23.704 -5.307 11.245 1.00 0.00 C ATOM 727 C LEU A 47 24.060 -4.871 9.832 1.00 0.00 C ATOM 728 O LEU A 47 23.367 -4.047 9.236 1.00 0.00 O ATOM 729 CB LEU A 47 24.503 -4.471 12.253 1.00 0.00 C ATOM 730 CG LEU A 47 24.005 -4.498 13.702 1.00 0.00 C ATOM 731 CD1 LEU A 47 22.517 -4.204 13.764 1.00 0.00 C ATOM 732 CD2 LEU A 47 24.316 -5.828 14.365 1.00 0.00 C ATOM 0 H LEU A 47 24.667 -6.963 12.106 1.00 0.00 H new ATOM 0 HA LEU A 47 22.642 -5.138 11.423 1.00 0.00 H new ATOM 0 HB2 LEU A 47 25.537 -4.815 12.240 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.508 -3.436 11.912 1.00 0.00 H new ATOM 0 HG LEU A 47 24.533 -3.718 14.251 1.00 0.00 H new ATOM 0 HD11 LEU A 47 22.184 -4.228 14.802 1.00 0.00 H new ATOM 0 HD12 LEU A 47 22.323 -3.217 13.344 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.973 -4.955 13.191 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.951 -5.817 15.392 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.827 -6.632 13.815 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.394 -5.991 14.365 1.00 0.00 H new ATOM 744 N ARG A 48 25.142 -5.436 9.297 1.00 0.00 N ATOM 745 CA ARG A 48 25.555 -5.147 7.928 1.00 0.00 C ATOM 746 C ARG A 48 24.422 -5.487 6.967 1.00 0.00 C ATOM 747 O ARG A 48 24.088 -4.706 6.077 1.00 0.00 O ATOM 748 CB ARG A 48 26.804 -5.950 7.538 1.00 0.00 C ATOM 749 CG ARG A 48 27.986 -5.795 8.484 1.00 0.00 C ATOM 750 CD ARG A 48 29.204 -6.544 7.956 1.00 0.00 C ATOM 751 NE ARG A 48 30.266 -6.678 8.956 1.00 0.00 N ATOM 752 CZ ARG A 48 31.539 -6.941 8.653 1.00 0.00 C ATOM 753 NH1 ARG A 48 31.934 -6.980 7.384 1.00 0.00 N ATOM 754 NH2 ARG A 48 32.424 -7.144 9.617 1.00 0.00 N ATOM 0 H ARG A 48 25.745 -6.094 9.790 1.00 0.00 H new ATOM 0 HA ARG A 48 25.794 -4.085 7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.537 -7.005 7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 48 27.115 -5.647 6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 48 28.226 -4.738 8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.720 -6.174 9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.898 -7.536 7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 48 29.596 -6.021 7.084 1.00 0.00 H new ATOM 0 HE ARG A 48 30.019 -6.564 9.939 1.00 0.00 H new ATOM 0 HH11 ARG A 48 31.263 -6.808 6.635 1.00 0.00 H new ATOM 0 HH12 ARG A 48 32.908 -7.182 7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 48 32.133 -7.100 10.594 1.00 0.00 H new ATOM 0 HH22 ARG A 48 33.396 -7.345 9.383 1.00 0.00 H new ATOM 768 N VAL A 49 23.827 -6.656 7.176 1.00 0.00 N ATOM 769 CA VAL A 49 22.737 -7.136 6.340 1.00 0.00 C ATOM 770 C VAL A 49 21.500 -6.249 6.475 1.00 0.00 C ATOM 771 O VAL A 49 20.880 -5.887 5.475 1.00 0.00 O ATOM 772 CB VAL A 49 22.360 -8.594 6.689 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.218 -9.082 5.811 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.569 -9.507 6.543 1.00 0.00 C ATOM 0 H VAL A 49 24.087 -7.295 7.928 1.00 0.00 H new ATOM 0 HA VAL A 49 23.090 -7.098 5.309 1.00 0.00 H new ATOM 0 HB VAL A 49 22.028 -8.620 7.727 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.970 -10.110 6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.345 -8.448 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.519 -9.038 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.285 -10.529 6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.930 -9.471 5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.359 -9.175 7.217 1.00 0.00 H new ATOM 784 N TRP A 50 21.155 -5.890 7.707 1.00 0.00 N ATOM 785 CA TRP A 50 19.977 -5.062 7.957 1.00 0.00 C ATOM 786 C TRP A 50 20.095 -3.700 7.281 1.00 0.00 C ATOM 787 O TRP A 50 19.156 -3.245 6.624 1.00 0.00 O ATOM 788 CB TRP A 50 19.738 -4.891 9.458 1.00 0.00 C ATOM 789 CG TRP A 50 19.119 -6.095 10.099 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.423 -7.086 9.471 1.00 0.00 C ATOM 791 CD2 TRP A 50 19.119 -6.423 11.492 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.996 -8.015 10.386 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.409 -7.630 11.635 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.650 -5.819 12.633 1.00 0.00 C ATOM 795 CZ2 TRP A 50 18.219 -8.242 12.872 1.00 0.00 C ATOM 796 CZ3 TRP A 50 19.459 -6.427 13.860 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.749 -7.627 13.971 1.00 0.00 C ATOM 0 H TRP A 50 21.671 -6.157 8.546 1.00 0.00 H new ATOM 0 HA TRP A 50 19.120 -5.578 7.524 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.687 -4.675 9.948 1.00 0.00 H new ATOM 0 HB3 TRP A 50 19.092 -4.029 9.620 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.235 -7.133 8.408 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.459 -8.855 10.172 1.00 0.00 H new ATOM 0 HE3 TRP A 50 20.200 -4.893 12.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.672 -9.169 12.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.865 -5.967 14.749 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.617 -8.076 14.944 1.00 0.00 H new ATOM 808 N VAL A 51 21.243 -3.057 7.434 1.00 0.00 N ATOM 809 CA VAL A 51 21.475 -1.769 6.797 1.00 0.00 C ATOM 810 C VAL A 51 21.471 -1.923 5.277 1.00 0.00 C ATOM 811 O VAL A 51 20.847 -1.134 4.563 1.00 0.00 O ATOM 812 CB VAL A 51 22.810 -1.136 7.251 1.00 0.00 C ATOM 813 CG1 VAL A 51 23.045 0.198 6.550 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.830 -0.953 8.763 1.00 0.00 C ATOM 0 H VAL A 51 22.025 -3.403 7.990 1.00 0.00 H new ATOM 0 HA VAL A 51 20.666 -1.105 7.101 1.00 0.00 H new ATOM 0 HB VAL A 51 23.617 -1.814 6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 51 23.990 0.624 6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.080 0.041 5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.232 0.884 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.778 -0.506 9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 51 22.010 -0.299 9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.716 -1.922 9.248 1.00 0.00 H new ATOM 824 N ARG A 52 22.146 -2.966 4.800 1.00 0.00 N ATOM 825 CA ARG A 52 22.235 -3.253 3.370 1.00 0.00 C ATOM 826 C ARG A 52 20.843 -3.444 2.778 1.00 0.00 C ATOM 827 O ARG A 52 20.475 -2.800 1.790 1.00 0.00 O ATOM 828 CB ARG A 52 23.062 -4.522 3.145 1.00 0.00 C ATOM 829 CG ARG A 52 23.917 -4.492 1.890 1.00 0.00 C ATOM 830 CD ARG A 52 25.028 -3.464 2.011 1.00 0.00 C ATOM 831 NE ARG A 52 25.968 -3.525 0.895 1.00 0.00 N ATOM 832 CZ ARG A 52 27.166 -2.942 0.903 1.00 0.00 C ATOM 833 NH1 ARG A 52 27.580 -2.288 1.984 1.00 0.00 N ATOM 834 NH2 ARG A 52 27.951 -3.015 -0.165 1.00 0.00 N ATOM 0 H ARG A 52 22.644 -3.633 5.390 1.00 0.00 H new ATOM 0 HA ARG A 52 22.718 -2.410 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.709 -4.679 4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 52 22.388 -5.377 3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 52 24.347 -5.478 1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 52 23.294 -4.259 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 52 24.592 -2.466 2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 52 25.567 -3.624 2.945 1.00 0.00 H new ATOM 0 HE ARG A 52 25.691 -4.044 0.061 1.00 0.00 H new ATOM 0 HH11 ARG A 52 26.980 -2.233 2.807 1.00 0.00 H new ATOM 0 HH12 ARG A 52 28.497 -1.842 1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 52 27.638 -3.518 -0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 52 28.868 -2.568 -0.156 1.00 0.00 H new ATOM 848 N GLN A 53 20.072 -4.324 3.409 1.00 0.00 N ATOM 849 CA GLN A 53 18.732 -4.660 2.950 1.00 0.00 C ATOM 850 C GLN A 53 17.817 -3.445 2.995 1.00 0.00 C ATOM 851 O GLN A 53 16.996 -3.249 2.102 1.00 0.00 O ATOM 852 CB GLN A 53 18.157 -5.797 3.800 1.00 0.00 C ATOM 853 CG GLN A 53 16.792 -6.282 3.339 1.00 0.00 C ATOM 854 CD GLN A 53 16.361 -7.556 4.039 1.00 0.00 C ATOM 855 OE1 GLN A 53 17.325 -8.388 4.402 1.00 0.00 O flip ATOM 856 NE2 GLN A 53 15.173 -7.796 4.244 1.00 0.00 N flip ATOM 0 H GLN A 53 20.359 -4.823 4.251 1.00 0.00 H new ATOM 0 HA GLN A 53 18.797 -4.991 1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.853 -6.636 3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 53 18.082 -5.462 4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.052 -5.503 3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.815 -6.453 2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.460 -7.129 3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.901 -8.662 4.709 1.00 0.00 H new ATOM 865 N HIS A 54 17.970 -2.622 4.025 1.00 0.00 N ATOM 866 CA HIS A 54 17.172 -1.410 4.154 1.00 0.00 C ATOM 867 C HIS A 54 17.455 -0.444 3.006 1.00 0.00 C ATOM 868 O HIS A 54 16.545 0.207 2.501 1.00 0.00 O ATOM 869 CB HIS A 54 17.434 -0.731 5.505 1.00 0.00 C ATOM 870 CG HIS A 54 16.827 0.639 5.630 1.00 0.00 C ATOM 871 ND1 HIS A 54 15.472 0.861 5.747 1.00 0.00 N ATOM 872 CD2 HIS A 54 17.407 1.862 5.629 1.00 0.00 C ATOM 873 CE1 HIS A 54 15.246 2.161 5.810 1.00 0.00 C ATOM 874 NE2 HIS A 54 16.404 2.795 5.739 1.00 0.00 N ATOM 0 H HIS A 54 18.638 -2.771 4.781 1.00 0.00 H new ATOM 0 HA HIS A 54 16.120 -1.693 4.108 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.042 -1.365 6.300 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.510 -0.655 5.659 1.00 0.00 H new ATOM 0 HD2 HIS A 54 18.465 2.067 5.555 1.00 0.00 H new ATOM 0 HE1 HIS A 54 14.277 2.628 5.904 1.00 0.00 H new ATOM 0 HE2 HIS A 54 16.532 3.807 5.762 1.00 0.00 H new ATOM 883 N GLU A 55 18.712 -0.362 2.595 1.00 0.00 N ATOM 884 CA GLU A 55 19.105 0.541 1.519 1.00 0.00 C ATOM 885 C GLU A 55 18.635 0.028 0.161 1.00 0.00 C ATOM 886 O GLU A 55 18.524 0.790 -0.794 1.00 0.00 O ATOM 887 CB GLU A 55 20.618 0.754 1.520 1.00 0.00 C ATOM 888 CG GLU A 55 21.118 1.529 2.730 1.00 0.00 C ATOM 889 CD GLU A 55 20.597 2.954 2.771 1.00 0.00 C ATOM 890 OE1 GLU A 55 19.397 3.155 3.054 1.00 0.00 O ATOM 891 OE2 GLU A 55 21.388 3.885 2.511 1.00 0.00 O ATOM 0 H GLU A 55 19.478 -0.909 2.989 1.00 0.00 H new ATOM 0 HA GLU A 55 18.620 1.500 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.114 -0.216 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.903 1.287 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.815 1.010 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.208 1.545 2.721 1.00 0.00 H new ATOM 898 N ARG A 56 18.370 -1.267 0.069 1.00 0.00 N ATOM 899 CA ARG A 56 17.772 -1.827 -1.139 1.00 0.00 C ATOM 900 C ARG A 56 16.253 -1.713 -1.069 1.00 0.00 C ATOM 901 O ARG A 56 15.582 -1.503 -2.077 1.00 0.00 O ATOM 902 CB ARG A 56 18.163 -3.295 -1.319 1.00 0.00 C ATOM 903 CG ARG A 56 19.624 -3.513 -1.666 1.00 0.00 C ATOM 904 CD ARG A 56 20.004 -2.802 -2.956 1.00 0.00 C ATOM 905 NE ARG A 56 21.255 -3.319 -3.507 1.00 0.00 N ATOM 906 CZ ARG A 56 22.329 -2.580 -3.776 1.00 0.00 C ATOM 907 NH1 ARG A 56 22.323 -1.270 -3.549 1.00 0.00 N ATOM 908 NH2 ARG A 56 23.409 -3.160 -4.284 1.00 0.00 N ATOM 0 H ARG A 56 18.556 -1.946 0.807 1.00 0.00 H new ATOM 0 HA ARG A 56 18.146 -1.261 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 56 17.935 -3.835 -0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 56 17.546 -3.730 -2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 56 20.250 -3.150 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 56 19.819 -4.581 -1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.206 -2.924 -3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 56 20.103 -1.733 -2.767 1.00 0.00 H new ATOM 0 HE ARG A 56 21.309 -4.319 -3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 56 21.490 -0.823 -3.165 1.00 0.00 H new ATOM 0 HH12 ARG A 56 23.151 -0.712 -3.758 1.00 0.00 H new ATOM 0 HH21 ARG A 56 23.411 -4.164 -4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 56 24.237 -2.602 -4.493 1.00 0.00 H new ATOM 922 N ASP A 57 15.734 -1.847 0.141 1.00 0.00 N ATOM 923 CA ASP A 57 14.298 -1.809 0.395 1.00 0.00 C ATOM 924 C ASP A 57 13.746 -0.394 0.255 1.00 0.00 C ATOM 925 O ASP A 57 12.834 -0.144 -0.530 1.00 0.00 O ATOM 926 CB ASP A 57 14.018 -2.347 1.801 1.00 0.00 C ATOM 927 CG ASP A 57 12.574 -2.192 2.223 1.00 0.00 C ATOM 928 OD1 ASP A 57 11.762 -3.092 1.924 1.00 0.00 O ATOM 929 OD2 ASP A 57 12.254 -1.181 2.883 1.00 0.00 O ATOM 0 H ASP A 57 16.297 -1.986 0.980 1.00 0.00 H new ATOM 0 HA ASP A 57 13.799 -2.434 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.290 -3.402 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.656 -1.827 2.515 1.00 0.00 H new ATOM 934 N THR A 58 14.310 0.532 1.014 1.00 0.00 N ATOM 935 CA THR A 58 13.852 1.908 1.010 1.00 0.00 C ATOM 936 C THR A 58 14.836 2.788 0.231 1.00 0.00 C ATOM 937 O THR A 58 14.952 3.989 0.474 1.00 0.00 O ATOM 938 CB THR A 58 13.709 2.426 2.456 1.00 0.00 C ATOM 939 OG1 THR A 58 13.188 1.384 3.298 1.00 0.00 O ATOM 940 CG2 THR A 58 12.779 3.630 2.523 1.00 0.00 C ATOM 0 H THR A 58 15.091 0.351 1.644 1.00 0.00 H new ATOM 0 HA THR A 58 12.878 1.952 0.524 1.00 0.00 H new ATOM 0 HB THR A 58 14.697 2.729 2.801 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.829 0.662 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.699 3.971 3.555 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.179 4.434 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 58 11.792 3.348 2.157 1.00 0.00 H new ATOM 948 N GLY A 59 15.536 2.179 -0.718 1.00 0.00 N ATOM 949 CA GLY A 59 16.500 2.911 -1.514 1.00 0.00 C ATOM 950 C GLY A 59 15.964 3.270 -2.880 1.00 0.00 C ATOM 951 O GLY A 59 16.093 2.494 -3.831 1.00 0.00 O ATOM 0 H GLY A 59 15.452 1.189 -0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.785 3.822 -0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.404 2.312 -1.627 1.00 0.00 H new ATOM 955 N GLY A 60 15.354 4.438 -2.980 1.00 0.00 N ATOM 956 CA GLY A 60 14.813 4.885 -4.244 1.00 0.00 C ATOM 957 C GLY A 60 15.551 6.093 -4.774 1.00 0.00 C ATOM 958 O GLY A 60 15.412 7.194 -4.243 1.00 0.00 O ATOM 0 H GLY A 60 15.223 5.088 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.872 4.075 -4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.758 5.128 -4.122 1.00 0.00 H new ATOM 962 N ASP A 61 16.351 5.887 -5.808 1.00 0.00 N ATOM 963 CA ASP A 61 17.125 6.970 -6.402 1.00 0.00 C ATOM 964 C ASP A 61 16.376 7.561 -7.585 1.00 0.00 C ATOM 965 O ASP A 61 15.808 6.827 -8.395 1.00 0.00 O ATOM 966 CB ASP A 61 18.500 6.475 -6.865 1.00 0.00 C ATOM 967 CG ASP A 61 19.341 5.905 -5.742 1.00 0.00 C ATOM 968 OD1 ASP A 61 19.969 6.685 -4.995 1.00 0.00 O ATOM 969 OD2 ASP A 61 19.400 4.666 -5.617 1.00 0.00 O ATOM 0 H ASP A 61 16.483 4.980 -6.255 1.00 0.00 H new ATOM 0 HA ASP A 61 17.269 7.736 -5.640 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.365 5.712 -7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 61 19.038 7.301 -7.329 1.00 0.00 H new ATOM 974 N ASP A 62 16.365 8.882 -7.674 1.00 0.00 N ATOM 975 CA ASP A 62 15.740 9.571 -8.798 1.00 0.00 C ATOM 976 C ASP A 62 16.229 11.010 -8.867 1.00 0.00 C ATOM 977 O ASP A 62 15.837 11.851 -8.054 1.00 0.00 O ATOM 978 CB ASP A 62 14.210 9.541 -8.687 1.00 0.00 C ATOM 979 CG ASP A 62 13.529 10.074 -9.937 1.00 0.00 C ATOM 980 OD1 ASP A 62 13.391 11.308 -10.072 1.00 0.00 O ATOM 981 OD2 ASP A 62 13.127 9.257 -10.794 1.00 0.00 O ATOM 0 H ASP A 62 16.783 9.502 -6.980 1.00 0.00 H new ATOM 0 HA ASP A 62 16.024 9.050 -9.713 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.881 8.518 -8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.899 10.133 -7.826 1.00 0.00 H new ATOM 986 N GLY A 63 17.105 11.283 -9.820 1.00 0.00 N ATOM 987 CA GLY A 63 17.630 12.621 -9.976 1.00 0.00 C ATOM 988 C GLY A 63 18.108 12.881 -11.386 1.00 0.00 C ATOM 989 O GLY A 63 18.118 11.973 -12.221 1.00 0.00 O ATOM 0 H GLY A 63 17.462 10.601 -10.489 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.859 13.346 -9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.456 12.770 -9.280 1.00 0.00 H new ATOM 993 N GLY A 64 18.499 14.114 -11.655 1.00 0.00 N ATOM 994 CA GLY A 64 18.997 14.455 -12.967 1.00 0.00 C ATOM 995 C GLY A 64 20.479 14.193 -13.082 1.00 0.00 C ATOM 996 O GLY A 64 20.901 13.286 -13.802 1.00 0.00 O ATOM 0 H GLY A 64 18.480 14.885 -10.988 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.465 13.876 -13.721 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.795 15.506 -13.172 1.00 0.00 H new ATOM 1000 N LEU A 65 21.261 14.980 -12.347 1.00 0.00 N ATOM 1001 CA LEU A 65 22.719 14.881 -12.358 1.00 0.00 C ATOM 1002 C LEU A 65 23.248 14.982 -13.790 1.00 0.00 C ATOM 1003 O LEU A 65 24.218 14.322 -14.166 1.00 0.00 O ATOM 1004 CB LEU A 65 23.165 13.569 -11.694 1.00 0.00 C ATOM 1005 CG LEU A 65 24.664 13.456 -11.403 1.00 0.00 C ATOM 1006 CD1 LEU A 65 25.128 14.609 -10.524 1.00 0.00 C ATOM 1007 CD2 LEU A 65 24.977 12.123 -10.740 1.00 0.00 C ATOM 0 H LEU A 65 20.902 15.705 -11.726 1.00 0.00 H new ATOM 0 HA LEU A 65 23.136 15.710 -11.786 1.00 0.00 H new ATOM 0 HB2 LEU A 65 22.621 13.453 -10.757 1.00 0.00 H new ATOM 0 HB3 LEU A 65 22.874 12.739 -12.337 1.00 0.00 H new ATOM 0 HG LEU A 65 25.203 13.508 -12.349 1.00 0.00 H new ATOM 0 HD11 LEU A 65 26.196 14.511 -10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 65 24.938 15.554 -11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 65 24.583 14.589 -9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 65 26.047 12.058 -10.540 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.427 12.045 -9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 65 24.682 11.309 -11.402 1.00 0.00 H new ATOM 1019 N THR A 66 22.614 15.839 -14.582 1.00 0.00 N ATOM 1020 CA THR A 66 22.979 16.008 -15.977 1.00 0.00 C ATOM 1021 C THR A 66 24.204 16.908 -16.104 1.00 0.00 C ATOM 1022 O THR A 66 24.131 18.039 -16.590 1.00 0.00 O ATOM 1023 CB THR A 66 21.799 16.579 -16.788 1.00 0.00 C ATOM 1024 OG1 THR A 66 20.626 15.794 -16.530 1.00 0.00 O ATOM 1025 CG2 THR A 66 22.097 16.562 -18.283 1.00 0.00 C ATOM 0 H THR A 66 21.840 16.429 -14.276 1.00 0.00 H new ATOM 0 HA THR A 66 23.227 15.028 -16.385 1.00 0.00 H new ATOM 0 HB THR A 66 21.639 17.613 -16.482 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.872 16.154 -17.042 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.246 16.971 -18.828 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.981 17.166 -18.485 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.277 15.537 -18.607 1.00 0.00 H new ATOM 1033 N THR A 67 25.324 16.404 -15.616 1.00 0.00 N ATOM 1034 CA THR A 67 26.589 17.099 -15.715 1.00 0.00 C ATOM 1035 C THR A 67 27.647 16.153 -16.266 1.00 0.00 C ATOM 1036 O THR A 67 28.197 15.318 -15.544 1.00 0.00 O ATOM 1037 CB THR A 67 27.039 17.647 -14.344 1.00 0.00 C ATOM 1038 OG1 THR A 67 25.967 18.388 -13.739 1.00 0.00 O ATOM 1039 CG2 THR A 67 28.258 18.547 -14.490 1.00 0.00 C ATOM 0 H THR A 67 25.379 15.503 -15.141 1.00 0.00 H new ATOM 0 HA THR A 67 26.462 17.946 -16.389 1.00 0.00 H new ATOM 0 HB THR A 67 27.306 16.801 -13.710 1.00 0.00 H new ATOM 0 HG1 THR A 67 26.258 18.732 -12.869 1.00 0.00 H new ATOM 0 HG21 THR A 67 28.555 18.920 -13.510 1.00 0.00 H new ATOM 0 HG22 THR A 67 29.080 17.979 -14.926 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.014 19.388 -15.139 1.00 0.00 H new ATOM 1047 N ALA A 68 27.898 16.256 -17.558 1.00 0.00 N ATOM 1048 CA ALA A 68 28.855 15.389 -18.215 1.00 0.00 C ATOM 1049 C ALA A 68 30.179 16.106 -18.388 1.00 0.00 C ATOM 1050 O ALA A 68 30.281 17.316 -18.156 1.00 0.00 O ATOM 1051 CB ALA A 68 28.314 14.923 -19.560 1.00 0.00 C ATOM 0 H ALA A 68 27.450 16.934 -18.174 1.00 0.00 H new ATOM 0 HA ALA A 68 29.018 14.510 -17.591 1.00 0.00 H new ATOM 0 HB1 ALA A 68 29.045 14.273 -20.041 1.00 0.00 H new ATOM 0 HB2 ALA A 68 27.385 14.374 -19.408 1.00 0.00 H new ATOM 0 HB3 ALA A 68 28.125 15.788 -20.196 1.00 0.00 H new ATOM 1057 N GLU A 69 31.197 15.360 -18.773 1.00 0.00 N ATOM 1058 CA GLU A 69 32.501 15.938 -19.025 1.00 0.00 C ATOM 1059 C GLU A 69 32.461 16.717 -20.329 1.00 0.00 C ATOM 1060 O GLU A 69 32.296 16.131 -21.402 1.00 0.00 O ATOM 1061 CB GLU A 69 33.591 14.862 -19.090 1.00 0.00 C ATOM 1062 CG GLU A 69 33.713 14.014 -17.831 1.00 0.00 C ATOM 1063 CD GLU A 69 32.592 13.004 -17.696 1.00 0.00 C ATOM 1064 OE1 GLU A 69 32.619 11.986 -18.417 1.00 0.00 O ATOM 1065 OE2 GLU A 69 31.672 13.231 -16.883 1.00 0.00 O ATOM 0 H GLU A 69 31.145 14.352 -18.918 1.00 0.00 H new ATOM 0 HA GLU A 69 32.746 16.606 -18.200 1.00 0.00 H new ATOM 0 HB2 GLU A 69 33.387 14.206 -19.937 1.00 0.00 H new ATOM 0 HB3 GLU A 69 34.549 15.344 -19.283 1.00 0.00 H new ATOM 0 HG2 GLU A 69 34.669 13.490 -17.842 1.00 0.00 H new ATOM 0 HG3 GLU A 69 33.716 14.666 -16.958 1.00 0.00 H new ATOM 1072 N ARG A 70 32.577 18.035 -20.230 1.00 0.00 N ATOM 1073 CA ARG A 70 32.537 18.896 -21.405 1.00 0.00 C ATOM 1074 C ARG A 70 33.650 18.512 -22.384 1.00 0.00 C ATOM 1075 O ARG A 70 33.381 18.238 -23.550 1.00 0.00 O ATOM 1076 CB ARG A 70 32.634 20.373 -20.981 1.00 0.00 C ATOM 1077 CG ARG A 70 33.914 20.741 -20.237 1.00 0.00 C ATOM 1078 CD ARG A 70 33.825 22.119 -19.604 1.00 0.00 C ATOM 1079 NE ARG A 70 33.143 22.090 -18.307 1.00 0.00 N ATOM 1080 CZ ARG A 70 32.141 22.898 -17.969 1.00 0.00 C ATOM 1081 NH1 ARG A 70 31.611 23.726 -18.859 1.00 0.00 N ATOM 1082 NH2 ARG A 70 31.653 22.855 -16.738 1.00 0.00 N ATOM 0 H ARG A 70 32.700 18.531 -19.347 1.00 0.00 H new ATOM 0 HA ARG A 70 31.586 18.759 -21.920 1.00 0.00 H new ATOM 0 HB2 ARG A 70 32.555 20.998 -21.871 1.00 0.00 H new ATOM 0 HB3 ARG A 70 31.780 20.611 -20.347 1.00 0.00 H new ATOM 0 HG2 ARG A 70 34.111 19.998 -19.464 1.00 0.00 H new ATOM 0 HG3 ARG A 70 34.757 20.713 -20.928 1.00 0.00 H new ATOM 0 HD2 ARG A 70 34.829 22.523 -19.476 1.00 0.00 H new ATOM 0 HD3 ARG A 70 33.294 22.792 -20.277 1.00 0.00 H new ATOM 0 HE ARG A 70 33.457 21.406 -17.619 1.00 0.00 H new ATOM 0 HH11 ARG A 70 31.971 23.748 -19.813 1.00 0.00 H new ATOM 0 HH12 ARG A 70 30.843 24.341 -18.589 1.00 0.00 H new ATOM 0 HH21 ARG A 70 32.045 22.206 -16.056 1.00 0.00 H new ATOM 0 HH22 ARG A 70 30.885 23.471 -16.472 1.00 0.00 H new ATOM 1096 N GLN A 71 34.880 18.465 -21.867 1.00 0.00 N ATOM 1097 CA GLN A 71 36.081 18.068 -22.608 1.00 0.00 C ATOM 1098 C GLN A 71 37.287 18.651 -21.892 1.00 0.00 C ATOM 1099 O GLN A 71 37.816 18.049 -20.961 1.00 0.00 O ATOM 1100 CB GLN A 71 36.074 18.563 -24.066 1.00 0.00 C ATOM 1101 CG GLN A 71 37.192 17.984 -24.924 1.00 0.00 C ATOM 1102 CD GLN A 71 37.045 16.492 -25.157 1.00 0.00 C ATOM 1103 OE1 GLN A 71 35.935 15.961 -25.199 1.00 0.00 O ATOM 1104 NE2 GLN A 71 38.163 15.801 -25.305 1.00 0.00 N ATOM 0 H GLN A 71 35.074 18.708 -20.896 1.00 0.00 H new ATOM 0 HA GLN A 71 36.114 16.979 -22.641 1.00 0.00 H new ATOM 0 HB2 GLN A 71 35.115 18.312 -24.519 1.00 0.00 H new ATOM 0 HB3 GLN A 71 36.153 19.650 -24.070 1.00 0.00 H new ATOM 0 HG2 GLN A 71 37.208 18.497 -25.886 1.00 0.00 H new ATOM 0 HG3 GLN A 71 38.150 18.179 -24.443 1.00 0.00 H new ATOM 0 HE21 GLN A 71 39.065 16.275 -25.264 1.00 0.00 H new ATOM 0 HE22 GLN A 71 38.123 14.794 -25.460 1.00 0.00 H new ATOM 1113 N ARG A 72 37.673 19.852 -22.318 1.00 0.00 N ATOM 1114 CA ARG A 72 38.753 20.622 -21.710 1.00 0.00 C ATOM 1115 C ARG A 72 38.936 21.920 -22.493 1.00 0.00 C ATOM 1116 O ARG A 72 39.479 21.928 -23.599 1.00 0.00 O ATOM 1117 CB ARG A 72 40.065 19.810 -21.628 1.00 0.00 C ATOM 1118 CG ARG A 72 40.484 19.117 -22.920 1.00 0.00 C ATOM 1119 CD ARG A 72 41.619 19.852 -23.612 1.00 0.00 C ATOM 1120 NE ARG A 72 42.775 20.016 -22.735 1.00 0.00 N ATOM 1121 CZ ARG A 72 43.878 20.675 -23.073 1.00 0.00 C ATOM 1122 NH1 ARG A 72 44.001 21.175 -24.296 1.00 0.00 N ATOM 1123 NH2 ARG A 72 44.862 20.810 -22.192 1.00 0.00 N ATOM 0 H ARG A 72 37.236 20.324 -23.109 1.00 0.00 H new ATOM 0 HA ARG A 72 38.484 20.861 -20.681 1.00 0.00 H new ATOM 0 HB2 ARG A 72 40.868 20.478 -21.317 1.00 0.00 H new ATOM 0 HB3 ARG A 72 39.958 19.056 -20.849 1.00 0.00 H new ATOM 0 HG2 ARG A 72 40.793 18.095 -22.701 1.00 0.00 H new ATOM 0 HG3 ARG A 72 39.629 19.054 -23.592 1.00 0.00 H new ATOM 0 HD2 ARG A 72 41.916 19.303 -24.505 1.00 0.00 H new ATOM 0 HD3 ARG A 72 41.271 20.831 -23.941 1.00 0.00 H new ATOM 0 HE ARG A 72 42.733 19.599 -21.805 1.00 0.00 H new ATOM 0 HH11 ARG A 72 43.249 21.053 -24.975 1.00 0.00 H new ATOM 0 HH12 ARG A 72 44.847 21.681 -24.557 1.00 0.00 H new ATOM 0 HH21 ARG A 72 44.770 20.408 -21.259 1.00 0.00 H new ATOM 0 HH22 ARG A 72 45.710 21.315 -22.448 1.00 0.00 H new ATOM 1137 N LEU A 73 38.433 23.013 -21.939 1.00 0.00 N ATOM 1138 CA LEU A 73 38.425 24.280 -22.651 1.00 0.00 C ATOM 1139 C LEU A 73 39.696 25.062 -22.365 1.00 0.00 C ATOM 1140 O LEU A 73 39.810 25.734 -21.338 1.00 0.00 O ATOM 1141 CB LEU A 73 37.192 25.111 -22.277 1.00 0.00 C ATOM 1142 CG LEU A 73 35.844 24.485 -22.648 1.00 0.00 C ATOM 1143 CD1 LEU A 73 34.699 25.377 -22.191 1.00 0.00 C ATOM 1144 CD2 LEU A 73 35.766 24.233 -24.150 1.00 0.00 C ATOM 0 H LEU A 73 38.027 23.048 -21.004 1.00 0.00 H new ATOM 0 HA LEU A 73 38.381 24.066 -23.719 1.00 0.00 H new ATOM 0 HB2 LEU A 73 37.207 25.290 -21.202 1.00 0.00 H new ATOM 0 HB3 LEU A 73 37.269 26.084 -22.763 1.00 0.00 H new ATOM 0 HG LEU A 73 35.756 23.526 -22.137 1.00 0.00 H new ATOM 0 HD11 LEU A 73 33.749 24.917 -22.463 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.745 25.503 -21.109 1.00 0.00 H new ATOM 0 HD13 LEU A 73 34.782 26.351 -22.673 1.00 0.00 H new ATOM 0 HD21 LEU A 73 34.801 23.788 -24.395 1.00 0.00 H new ATOM 0 HD22 LEU A 73 35.876 25.177 -24.684 1.00 0.00 H new ATOM 0 HD23 LEU A 73 36.565 23.553 -24.447 1.00 0.00 H new ATOM 1156 N LYS A 74 40.656 24.951 -23.270 1.00 0.00 N ATOM 1157 CA LYS A 74 41.910 25.663 -23.134 1.00 0.00 C ATOM 1158 C LYS A 74 42.414 26.079 -24.506 1.00 0.00 C ATOM 1159 O LYS A 74 42.845 27.217 -24.703 1.00 0.00 O ATOM 1160 CB LYS A 74 42.949 24.789 -22.430 1.00 0.00 C ATOM 1161 CG LYS A 74 44.033 25.595 -21.748 1.00 0.00 C ATOM 1162 CD LYS A 74 44.965 24.708 -20.948 1.00 0.00 C ATOM 1163 CE LYS A 74 45.804 25.532 -19.990 1.00 0.00 C ATOM 1164 NZ LYS A 74 44.955 26.278 -19.021 1.00 0.00 N ATOM 0 H LYS A 74 40.587 24.372 -24.107 1.00 0.00 H new ATOM 0 HA LYS A 74 41.746 26.554 -22.528 1.00 0.00 H new ATOM 0 HB2 LYS A 74 42.449 24.164 -21.691 1.00 0.00 H new ATOM 0 HB3 LYS A 74 43.406 24.119 -23.158 1.00 0.00 H new ATOM 0 HG2 LYS A 74 44.605 26.144 -22.496 1.00 0.00 H new ATOM 0 HG3 LYS A 74 43.578 26.334 -21.089 1.00 0.00 H new ATOM 0 HD2 LYS A 74 44.385 23.973 -20.390 1.00 0.00 H new ATOM 0 HD3 LYS A 74 45.616 24.154 -21.624 1.00 0.00 H new ATOM 0 HE2 LYS A 74 46.487 24.878 -19.448 1.00 0.00 H new ATOM 0 HE3 LYS A 74 46.417 26.235 -20.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 45.491 26.444 -18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 44.676 27.190 -19.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 44.104 25.721 -18.805 1.00 0.00 H new ATOM 1178 N GLU A 75 42.350 25.149 -25.454 1.00 0.00 N ATOM 1179 CA GLU A 75 42.718 25.436 -26.832 1.00 0.00 C ATOM 1180 C GLU A 75 41.735 26.448 -27.419 1.00 0.00 C ATOM 1181 O GLU A 75 40.523 26.287 -27.276 1.00 0.00 O ATOM 1182 CB GLU A 75 42.715 24.157 -27.677 1.00 0.00 C ATOM 1183 CG GLU A 75 43.499 23.000 -27.068 1.00 0.00 C ATOM 1184 CD GLU A 75 44.934 23.358 -26.729 1.00 0.00 C ATOM 1185 OE1 GLU A 75 45.609 23.998 -27.557 1.00 0.00 O ATOM 1186 OE2 GLU A 75 45.390 23.005 -25.619 1.00 0.00 O ATOM 0 H GLU A 75 42.046 24.189 -25.290 1.00 0.00 H new ATOM 0 HA GLU A 75 43.726 25.851 -26.845 1.00 0.00 H new ATOM 0 HB2 GLU A 75 41.684 23.840 -27.831 1.00 0.00 H new ATOM 0 HB3 GLU A 75 43.129 24.384 -28.659 1.00 0.00 H new ATOM 0 HG2 GLU A 75 42.993 22.664 -26.163 1.00 0.00 H new ATOM 0 HG3 GLU A 75 43.496 22.162 -27.765 1.00 0.00 H new ATOM 1193 N PRO A 76 42.247 27.505 -28.070 1.00 0.00 N ATOM 1194 CA PRO A 76 41.417 28.601 -28.587 1.00 0.00 C ATOM 1195 C PRO A 76 40.362 28.137 -29.593 1.00 0.00 C ATOM 1196 O PRO A 76 39.163 28.252 -29.334 1.00 0.00 O ATOM 1197 CB PRO A 76 42.427 29.535 -29.265 1.00 0.00 C ATOM 1198 CG PRO A 76 43.742 29.190 -28.657 1.00 0.00 C ATOM 1199 CD PRO A 76 43.677 27.723 -28.346 1.00 0.00 C ATOM 0 HA PRO A 76 40.846 29.072 -27.787 1.00 0.00 H new ATOM 0 HB2 PRO A 76 42.440 29.385 -30.345 1.00 0.00 H new ATOM 0 HB3 PRO A 76 42.175 30.581 -29.092 1.00 0.00 H new ATOM 0 HG2 PRO A 76 44.560 29.408 -29.344 1.00 0.00 H new ATOM 0 HG3 PRO A 76 43.920 29.774 -27.754 1.00 0.00 H new ATOM 0 HD2 PRO A 76 44.023 27.117 -29.184 1.00 0.00 H new ATOM 0 HD3 PRO A 76 44.297 27.465 -27.488 1.00 0.00 H new ATOM 1207 N GLU A 77 40.816 27.619 -30.738 1.00 0.00 N ATOM 1208 CA GLU A 77 39.919 27.199 -31.815 1.00 0.00 C ATOM 1209 C GLU A 77 39.110 28.411 -32.299 1.00 0.00 C ATOM 1210 O GLU A 77 37.906 28.330 -32.547 1.00 0.00 O ATOM 1211 CB GLU A 77 39.003 26.062 -31.323 1.00 0.00 C ATOM 1212 CG GLU A 77 38.207 25.367 -32.418 1.00 0.00 C ATOM 1213 CD GLU A 77 39.089 24.747 -33.479 1.00 0.00 C ATOM 1214 OE1 GLU A 77 39.809 23.776 -33.162 1.00 0.00 O ATOM 1215 OE2 GLU A 77 39.057 25.220 -34.635 1.00 0.00 O ATOM 0 H GLU A 77 41.806 27.481 -30.942 1.00 0.00 H new ATOM 0 HA GLU A 77 40.496 26.815 -32.656 1.00 0.00 H new ATOM 0 HB2 GLU A 77 39.613 25.319 -30.809 1.00 0.00 H new ATOM 0 HB3 GLU A 77 38.307 26.467 -30.588 1.00 0.00 H new ATOM 0 HG2 GLU A 77 37.584 24.592 -31.972 1.00 0.00 H new ATOM 0 HG3 GLU A 77 37.535 26.087 -32.885 1.00 0.00 H new ATOM 1222 N ARG A 78 39.798 29.543 -32.437 1.00 0.00 N ATOM 1223 CA ARG A 78 39.141 30.803 -32.772 1.00 0.00 C ATOM 1224 C ARG A 78 39.646 31.381 -34.090 1.00 0.00 C ATOM 1225 O ARG A 78 38.902 32.062 -34.799 1.00 0.00 O ATOM 1226 CB ARG A 78 39.349 31.820 -31.647 1.00 0.00 C ATOM 1227 CG ARG A 78 38.749 31.380 -30.324 1.00 0.00 C ATOM 1228 CD ARG A 78 37.259 31.127 -30.459 1.00 0.00 C ATOM 1229 NE ARG A 78 36.698 30.505 -29.267 1.00 0.00 N ATOM 1230 CZ ARG A 78 35.581 30.913 -28.677 1.00 0.00 C ATOM 1231 NH1 ARG A 78 34.934 31.981 -29.126 1.00 0.00 N ATOM 1232 NH2 ARG A 78 35.111 30.250 -27.634 1.00 0.00 N ATOM 0 H ARG A 78 40.809 29.613 -32.322 1.00 0.00 H new ATOM 0 HA ARG A 78 38.078 30.594 -32.888 1.00 0.00 H new ATOM 0 HB2 ARG A 78 40.417 31.992 -31.515 1.00 0.00 H new ATOM 0 HB3 ARG A 78 38.907 32.772 -31.940 1.00 0.00 H new ATOM 0 HG2 ARG A 78 39.246 30.473 -29.979 1.00 0.00 H new ATOM 0 HG3 ARG A 78 38.924 32.146 -29.569 1.00 0.00 H new ATOM 0 HD2 ARG A 78 36.747 32.070 -30.650 1.00 0.00 H new ATOM 0 HD3 ARG A 78 37.077 30.486 -31.322 1.00 0.00 H new ATOM 0 HE ARG A 78 37.192 29.710 -28.862 1.00 0.00 H new ATOM 0 HH11 ARG A 78 35.294 32.495 -29.930 1.00 0.00 H new ATOM 0 HH12 ARG A 78 34.076 32.288 -28.667 1.00 0.00 H new ATOM 0 HH21 ARG A 78 35.606 29.429 -27.286 1.00 0.00 H new ATOM 0 HH22 ARG A 78 34.253 30.560 -27.177 1.00 0.00 H new ATOM 1246 N GLU A 79 40.907 31.121 -34.410 1.00 0.00 N ATOM 1247 CA GLU A 79 41.497 31.631 -35.639 1.00 0.00 C ATOM 1248 C GLU A 79 40.919 30.900 -36.849 1.00 0.00 C ATOM 1249 O GLU A 79 40.843 29.668 -36.862 1.00 0.00 O ATOM 1250 CB GLU A 79 43.026 31.503 -35.596 1.00 0.00 C ATOM 1251 CG GLU A 79 43.522 30.094 -35.314 1.00 0.00 C ATOM 1252 CD GLU A 79 45.019 30.030 -35.103 1.00 0.00 C ATOM 1253 OE1 GLU A 79 45.471 30.217 -33.952 1.00 0.00 O ATOM 1254 OE2 GLU A 79 45.753 29.772 -36.081 1.00 0.00 O ATOM 0 H GLU A 79 41.539 30.562 -33.837 1.00 0.00 H new ATOM 0 HA GLU A 79 41.251 32.689 -35.732 1.00 0.00 H new ATOM 0 HB2 GLU A 79 43.435 31.837 -36.550 1.00 0.00 H new ATOM 0 HB3 GLU A 79 43.415 32.174 -34.830 1.00 0.00 H new ATOM 0 HG2 GLU A 79 43.018 29.707 -34.428 1.00 0.00 H new ATOM 0 HG3 GLU A 79 43.249 29.444 -36.146 1.00 0.00 H new ATOM 1261 N ASN A 80 40.492 31.670 -37.849 1.00 0.00 N ATOM 1262 CA ASN A 80 39.836 31.121 -39.035 1.00 0.00 C ATOM 1263 C ASN A 80 38.574 30.366 -38.613 1.00 0.00 C ATOM 1264 O ASN A 80 38.358 29.212 -38.996 1.00 0.00 O ATOM 1265 CB ASN A 80 40.790 30.195 -39.814 1.00 0.00 C ATOM 1266 CG ASN A 80 40.298 29.887 -41.222 1.00 0.00 C ATOM 1267 OD1 ASN A 80 39.688 30.729 -41.879 1.00 0.00 O ATOM 1268 ND2 ASN A 80 40.562 28.677 -41.699 1.00 0.00 N ATOM 0 H ASN A 80 40.590 32.685 -37.861 1.00 0.00 H new ATOM 0 HA ASN A 80 39.559 31.941 -39.698 1.00 0.00 H new ATOM 0 HB2 ASN A 80 41.774 30.661 -39.872 1.00 0.00 H new ATOM 0 HB3 ASN A 80 40.911 29.261 -39.265 1.00 0.00 H new ATOM 0 HD21 ASN A 80 40.257 28.421 -42.638 1.00 0.00 H new ATOM 0 HD22 ASN A 80 41.070 28.003 -41.127 1.00 0.00 H new ATOM 1275 N ARG A 81 37.755 31.030 -37.798 1.00 0.00 N ATOM 1276 CA ARG A 81 36.526 30.441 -37.278 1.00 0.00 C ATOM 1277 C ARG A 81 35.557 30.170 -38.419 1.00 0.00 C ATOM 1278 O ARG A 81 34.947 29.103 -38.492 1.00 0.00 O ATOM 1279 CB ARG A 81 35.888 31.369 -36.237 1.00 0.00 C ATOM 1280 CG ARG A 81 34.650 30.789 -35.574 1.00 0.00 C ATOM 1281 CD ARG A 81 34.174 31.645 -34.408 1.00 0.00 C ATOM 1282 NE ARG A 81 33.691 32.964 -34.827 1.00 0.00 N ATOM 1283 CZ ARG A 81 33.021 33.800 -34.027 1.00 0.00 C ATOM 1284 NH1 ARG A 81 32.772 33.465 -32.768 1.00 0.00 N ATOM 1285 NH2 ARG A 81 32.598 34.971 -34.487 1.00 0.00 N ATOM 0 H ARG A 81 37.925 31.985 -37.483 1.00 0.00 H new ATOM 0 HA ARG A 81 36.765 29.496 -36.791 1.00 0.00 H new ATOM 0 HB2 ARG A 81 36.626 31.599 -35.469 1.00 0.00 H new ATOM 0 HB3 ARG A 81 35.624 32.311 -36.717 1.00 0.00 H new ATOM 0 HG2 ARG A 81 33.851 30.703 -36.310 1.00 0.00 H new ATOM 0 HG3 ARG A 81 34.867 29.781 -35.219 1.00 0.00 H new ATOM 0 HD2 ARG A 81 33.375 31.122 -33.882 1.00 0.00 H new ATOM 0 HD3 ARG A 81 34.992 31.772 -33.699 1.00 0.00 H new ATOM 0 HE ARG A 81 33.877 33.261 -35.785 1.00 0.00 H new ATOM 0 HH11 ARG A 81 33.092 32.566 -32.406 1.00 0.00 H new ATOM 0 HH12 ARG A 81 32.261 34.106 -32.161 1.00 0.00 H new ATOM 0 HH21 ARG A 81 32.784 35.236 -35.454 1.00 0.00 H new ATOM 0 HH22 ARG A 81 32.087 35.606 -33.873 1.00 0.00 H new ATOM 1299 N GLU A 82 35.425 31.140 -39.307 1.00 0.00 N ATOM 1300 CA GLU A 82 34.643 30.963 -40.515 1.00 0.00 C ATOM 1301 C GLU A 82 35.562 30.477 -41.625 1.00 0.00 C ATOM 1302 O GLU A 82 36.761 30.751 -41.587 1.00 0.00 O ATOM 1303 CB GLU A 82 33.944 32.265 -40.905 1.00 0.00 C ATOM 1304 CG GLU A 82 33.014 32.787 -39.822 1.00 0.00 C ATOM 1305 CD GLU A 82 32.219 33.996 -40.262 1.00 0.00 C ATOM 1306 OE1 GLU A 82 32.805 35.093 -40.374 1.00 0.00 O ATOM 1307 OE2 GLU A 82 30.998 33.854 -40.497 1.00 0.00 O ATOM 0 H GLU A 82 35.852 32.062 -39.212 1.00 0.00 H new ATOM 0 HA GLU A 82 33.864 30.220 -40.343 1.00 0.00 H new ATOM 0 HB2 GLU A 82 34.696 33.022 -41.127 1.00 0.00 H new ATOM 0 HB3 GLU A 82 33.374 32.105 -41.820 1.00 0.00 H new ATOM 0 HG2 GLU A 82 32.327 31.994 -39.527 1.00 0.00 H new ATOM 0 HG3 GLU A 82 33.600 33.045 -38.940 1.00 0.00 H new ATOM 1314 N LEU A 83 35.001 29.753 -42.597 1.00 0.00 N ATOM 1315 CA LEU A 83 35.800 29.056 -43.608 1.00 0.00 C ATOM 1316 C LEU A 83 36.597 27.943 -42.934 1.00 0.00 C ATOM 1317 O LEU A 83 37.646 27.514 -43.419 1.00 0.00 O ATOM 1318 CB LEU A 83 36.741 30.020 -44.352 1.00 0.00 C ATOM 1319 CG LEU A 83 36.056 30.981 -45.326 1.00 0.00 C ATOM 1320 CD1 LEU A 83 37.047 32.013 -45.840 1.00 0.00 C ATOM 1321 CD2 LEU A 83 35.440 30.210 -46.486 1.00 0.00 C ATOM 0 H LEU A 83 33.994 29.634 -42.705 1.00 0.00 H new ATOM 0 HA LEU A 83 35.126 28.629 -44.351 1.00 0.00 H new ATOM 0 HB2 LEU A 83 37.290 30.606 -43.615 1.00 0.00 H new ATOM 0 HB3 LEU A 83 37.475 29.432 -44.903 1.00 0.00 H new ATOM 0 HG LEU A 83 35.260 31.503 -44.795 1.00 0.00 H new ATOM 0 HD11 LEU A 83 36.543 32.688 -46.531 1.00 0.00 H new ATOM 0 HD12 LEU A 83 37.446 32.584 -45.001 1.00 0.00 H new ATOM 0 HD13 LEU A 83 37.863 31.508 -46.356 1.00 0.00 H new ATOM 0 HD21 LEU A 83 34.956 30.907 -47.170 1.00 0.00 H new ATOM 0 HD22 LEU A 83 36.221 29.664 -47.016 1.00 0.00 H new ATOM 0 HD23 LEU A 83 34.701 29.506 -46.103 1.00 0.00 H new ATOM 1333 N ARG A 84 36.063 27.477 -41.810 1.00 0.00 N ATOM 1334 CA ARG A 84 36.695 26.440 -41.009 1.00 0.00 C ATOM 1335 C ARG A 84 36.826 25.138 -41.794 1.00 0.00 C ATOM 1336 O ARG A 84 35.877 24.689 -42.438 1.00 0.00 O ATOM 1337 CB ARG A 84 35.872 26.190 -39.740 1.00 0.00 C ATOM 1338 CG ARG A 84 36.434 25.096 -38.843 1.00 0.00 C ATOM 1339 CD ARG A 84 37.336 25.654 -37.755 1.00 0.00 C ATOM 1340 NE ARG A 84 38.373 26.542 -38.279 1.00 0.00 N ATOM 1341 CZ ARG A 84 39.628 26.167 -38.513 1.00 0.00 C ATOM 1342 NH1 ARG A 84 39.985 24.897 -38.369 1.00 0.00 N ATOM 1343 NH2 ARG A 84 40.521 27.067 -38.898 1.00 0.00 N ATOM 0 H ARG A 84 35.177 27.810 -41.430 1.00 0.00 H new ATOM 0 HA ARG A 84 37.695 26.783 -40.741 1.00 0.00 H new ATOM 0 HB2 ARG A 84 35.811 27.117 -39.170 1.00 0.00 H new ATOM 0 HB3 ARG A 84 34.854 25.924 -40.026 1.00 0.00 H new ATOM 0 HG2 ARG A 84 35.612 24.546 -38.385 1.00 0.00 H new ATOM 0 HG3 ARG A 84 36.995 24.384 -39.449 1.00 0.00 H new ATOM 0 HD2 ARG A 84 36.730 26.198 -37.031 1.00 0.00 H new ATOM 0 HD3 ARG A 84 37.807 24.829 -37.221 1.00 0.00 H new ATOM 0 HE ARG A 84 38.118 27.510 -38.478 1.00 0.00 H new ATOM 0 HH11 ARG A 84 39.296 24.203 -38.078 1.00 0.00 H new ATOM 0 HH12 ARG A 84 40.948 24.614 -38.550 1.00 0.00 H new ATOM 0 HH21 ARG A 84 40.245 28.042 -39.014 1.00 0.00 H new ATOM 0 HH22 ARG A 84 41.484 26.785 -39.079 1.00 0.00 H new ATOM 1357 N ARG A 85 38.010 24.551 -41.749 1.00 0.00 N ATOM 1358 CA ARG A 85 38.230 23.230 -42.311 1.00 0.00 C ATOM 1359 C ARG A 85 37.993 22.192 -41.220 1.00 0.00 C ATOM 1360 O ARG A 85 38.654 22.215 -40.180 1.00 0.00 O ATOM 1361 CB ARG A 85 39.657 23.111 -42.848 1.00 0.00 C ATOM 1362 CG ARG A 85 39.909 21.867 -43.690 1.00 0.00 C ATOM 1363 CD ARG A 85 39.453 22.061 -45.130 1.00 0.00 C ATOM 1364 NE ARG A 85 38.002 22.188 -45.263 1.00 0.00 N ATOM 1365 CZ ARG A 85 37.398 23.196 -45.895 1.00 0.00 C ATOM 1366 NH1 ARG A 85 38.098 24.239 -46.329 1.00 0.00 N ATOM 1367 NH2 ARG A 85 36.086 23.175 -46.081 1.00 0.00 N ATOM 0 H ARG A 85 38.838 24.972 -41.326 1.00 0.00 H new ATOM 0 HA ARG A 85 37.540 23.064 -43.139 1.00 0.00 H new ATOM 0 HB2 ARG A 85 39.882 23.993 -43.448 1.00 0.00 H new ATOM 0 HB3 ARG A 85 40.350 23.113 -42.007 1.00 0.00 H new ATOM 0 HG2 ARG A 85 40.972 21.626 -43.674 1.00 0.00 H new ATOM 0 HG3 ARG A 85 39.383 21.019 -43.253 1.00 0.00 H new ATOM 0 HD2 ARG A 85 39.928 22.953 -45.538 1.00 0.00 H new ATOM 0 HD3 ARG A 85 39.794 21.217 -45.729 1.00 0.00 H new ATOM 0 HE ARG A 85 37.417 21.463 -44.848 1.00 0.00 H new ATOM 0 HH11 ARG A 85 39.106 24.274 -46.180 1.00 0.00 H new ATOM 0 HH12 ARG A 85 37.627 25.004 -46.811 1.00 0.00 H new ATOM 0 HH21 ARG A 85 35.535 22.387 -45.741 1.00 0.00 H new ATOM 0 HH22 ARG A 85 35.627 23.947 -46.564 1.00 0.00 H new ATOM 1381 N SER A 86 37.046 21.298 -41.448 1.00 0.00 N ATOM 1382 CA SER A 86 36.665 20.321 -40.441 1.00 0.00 C ATOM 1383 C SER A 86 37.713 19.219 -40.312 1.00 0.00 C ATOM 1384 O SER A 86 37.864 18.370 -41.195 1.00 0.00 O ATOM 1385 CB SER A 86 35.300 19.726 -40.787 1.00 0.00 C ATOM 1386 OG SER A 86 34.315 20.745 -40.888 1.00 0.00 O ATOM 0 H SER A 86 36.526 21.228 -42.323 1.00 0.00 H new ATOM 0 HA SER A 86 36.601 20.828 -39.478 1.00 0.00 H new ATOM 0 HB2 SER A 86 35.364 19.182 -41.729 1.00 0.00 H new ATOM 0 HB3 SER A 86 35.008 19.006 -40.022 1.00 0.00 H new ATOM 0 HG SER A 86 33.450 20.343 -41.112 1.00 0.00 H new ATOM 1392 N ASN A 87 38.442 19.246 -39.205 1.00 0.00 N ATOM 1393 CA ASN A 87 39.475 18.255 -38.933 1.00 0.00 C ATOM 1394 C ASN A 87 39.297 17.670 -37.543 1.00 0.00 C ATOM 1395 O ASN A 87 38.420 18.091 -36.789 1.00 0.00 O ATOM 1396 CB ASN A 87 40.873 18.868 -39.054 1.00 0.00 C ATOM 1397 CG ASN A 87 41.372 18.918 -40.483 1.00 0.00 C ATOM 1398 OD1 ASN A 87 41.150 19.894 -41.202 1.00 0.00 O ATOM 1399 ND2 ASN A 87 42.062 17.869 -40.899 1.00 0.00 N ATOM 0 H ASN A 87 38.336 19.950 -38.475 1.00 0.00 H new ATOM 0 HA ASN A 87 39.376 17.462 -39.674 1.00 0.00 H new ATOM 0 HB2 ASN A 87 40.858 19.878 -38.644 1.00 0.00 H new ATOM 0 HB3 ASN A 87 41.572 18.289 -38.450 1.00 0.00 H new ATOM 0 HD21 ASN A 87 42.434 17.847 -41.849 1.00 0.00 H new ATOM 0 HD22 ASN A 87 42.222 17.082 -40.270 1.00 0.00 H new ATOM 1406 N ASP A 88 40.155 16.722 -37.199 1.00 0.00 N ATOM 1407 CA ASP A 88 40.101 16.044 -35.907 1.00 0.00 C ATOM 1408 C ASP A 88 40.840 16.836 -34.828 1.00 0.00 C ATOM 1409 O ASP A 88 41.433 16.255 -33.916 1.00 0.00 O ATOM 1410 CB ASP A 88 40.690 14.633 -36.035 1.00 0.00 C ATOM 1411 CG ASP A 88 42.077 14.622 -36.655 1.00 0.00 C ATOM 1412 OD1 ASP A 88 42.201 14.992 -37.846 1.00 0.00 O ATOM 1413 OD2 ASP A 88 43.047 14.238 -35.966 1.00 0.00 O ATOM 0 H ASP A 88 40.909 16.399 -37.805 1.00 0.00 H new ATOM 0 HA ASP A 88 39.057 15.972 -35.604 1.00 0.00 H new ATOM 0 HB2 ASP A 88 40.736 14.174 -35.048 1.00 0.00 H new ATOM 0 HB3 ASP A 88 40.022 14.020 -36.641 1.00 0.00 H new ATOM 1418 N ILE A 89 40.764 18.169 -34.929 1.00 0.00 N ATOM 1419 CA ILE A 89 41.389 19.079 -33.964 1.00 0.00 C ATOM 1420 C ILE A 89 42.912 19.093 -34.140 1.00 0.00 C ATOM 1421 O ILE A 89 43.500 18.120 -34.614 1.00 0.00 O ATOM 1422 CB ILE A 89 41.009 18.707 -32.498 1.00 0.00 C ATOM 1423 CG1 ILE A 89 39.487 18.762 -32.312 1.00 0.00 C ATOM 1424 CG2 ILE A 89 41.697 19.617 -31.483 1.00 0.00 C ATOM 1425 CD1 ILE A 89 38.884 20.120 -32.611 1.00 0.00 C ATOM 0 H ILE A 89 40.268 18.646 -35.682 1.00 0.00 H new ATOM 0 HA ILE A 89 41.008 20.081 -34.161 1.00 0.00 H new ATOM 0 HB ILE A 89 41.357 17.690 -32.318 1.00 0.00 H new ATOM 0 HG12 ILE A 89 39.024 18.018 -32.960 1.00 0.00 H new ATOM 0 HG13 ILE A 89 39.245 18.485 -31.286 1.00 0.00 H new ATOM 0 HG21 ILE A 89 41.405 19.324 -30.475 1.00 0.00 H new ATOM 0 HG22 ILE A 89 42.778 19.527 -31.588 1.00 0.00 H new ATOM 0 HG23 ILE A 89 41.400 20.650 -31.661 1.00 0.00 H new ATOM 0 HD11 ILE A 89 37.806 20.081 -32.457 1.00 0.00 H new ATOM 0 HD12 ILE A 89 39.319 20.866 -31.945 1.00 0.00 H new ATOM 0 HD13 ILE A 89 39.094 20.391 -33.646 1.00 0.00 H new ATOM 1437 N LEU A 90 43.542 20.216 -33.810 1.00 0.00 N ATOM 1438 CA LEU A 90 44.997 20.313 -33.866 1.00 0.00 C ATOM 1439 C LEU A 90 45.630 19.298 -32.921 1.00 0.00 C ATOM 1440 O LEU A 90 45.408 19.332 -31.710 1.00 0.00 O ATOM 1441 CB LEU A 90 45.485 21.726 -33.518 1.00 0.00 C ATOM 1442 CG LEU A 90 45.568 22.713 -34.693 1.00 0.00 C ATOM 1443 CD1 LEU A 90 44.188 23.015 -35.259 1.00 0.00 C ATOM 1444 CD2 LEU A 90 46.260 23.997 -34.256 1.00 0.00 C ATOM 0 H LEU A 90 43.071 21.067 -33.503 1.00 0.00 H new ATOM 0 HA LEU A 90 45.302 20.095 -34.889 1.00 0.00 H new ATOM 0 HB2 LEU A 90 44.819 22.144 -32.763 1.00 0.00 H new ATOM 0 HB3 LEU A 90 46.473 21.647 -33.064 1.00 0.00 H new ATOM 0 HG LEU A 90 46.157 22.248 -35.484 1.00 0.00 H new ATOM 0 HD11 LEU A 90 44.280 23.716 -36.089 1.00 0.00 H new ATOM 0 HD12 LEU A 90 43.730 22.092 -35.614 1.00 0.00 H new ATOM 0 HD13 LEU A 90 43.564 23.454 -34.481 1.00 0.00 H new ATOM 0 HD21 LEU A 90 46.312 24.687 -35.098 1.00 0.00 H new ATOM 0 HD22 LEU A 90 45.696 24.456 -33.445 1.00 0.00 H new ATOM 0 HD23 LEU A 90 47.269 23.768 -33.912 1.00 0.00 H new ATOM 1456 N ARG A 91 46.400 18.386 -33.487 1.00 0.00 N ATOM 1457 CA ARG A 91 47.044 17.336 -32.715 1.00 0.00 C ATOM 1458 C ARG A 91 48.492 17.167 -33.155 1.00 0.00 C ATOM 1459 O ARG A 91 48.791 17.200 -34.349 1.00 0.00 O ATOM 1460 CB ARG A 91 46.288 16.014 -32.887 1.00 0.00 C ATOM 1461 CG ARG A 91 46.976 14.833 -32.222 1.00 0.00 C ATOM 1462 CD ARG A 91 46.348 13.513 -32.632 1.00 0.00 C ATOM 1463 NE ARG A 91 47.132 12.374 -32.159 1.00 0.00 N ATOM 1464 CZ ARG A 91 47.792 11.540 -32.963 1.00 0.00 C ATOM 1465 NH1 ARG A 91 47.695 11.668 -34.280 1.00 0.00 N ATOM 1466 NH2 ARG A 91 48.528 10.562 -32.451 1.00 0.00 N ATOM 0 H ARG A 91 46.596 18.351 -34.487 1.00 0.00 H new ATOM 0 HA ARG A 91 47.028 17.620 -31.663 1.00 0.00 H new ATOM 0 HB2 ARG A 91 45.285 16.121 -32.473 1.00 0.00 H new ATOM 0 HB3 ARG A 91 46.173 15.806 -33.951 1.00 0.00 H new ATOM 0 HG2 ARG A 91 48.033 14.831 -32.488 1.00 0.00 H new ATOM 0 HG3 ARG A 91 46.920 14.942 -31.139 1.00 0.00 H new ATOM 0 HD2 ARG A 91 45.336 13.451 -32.231 1.00 0.00 H new ATOM 0 HD3 ARG A 91 46.264 13.471 -33.718 1.00 0.00 H new ATOM 0 HE ARG A 91 47.177 12.207 -31.154 1.00 0.00 H new ATOM 0 HH11 ARG A 91 47.115 12.406 -34.679 1.00 0.00 H new ATOM 0 HH12 ARG A 91 48.201 11.029 -34.893 1.00 0.00 H new ATOM 0 HH21 ARG A 91 48.590 10.446 -31.439 1.00 0.00 H new ATOM 0 HH22 ARG A 91 49.032 9.926 -33.069 1.00 0.00 H new ATOM 1480 N LEU A 92 49.385 17.005 -32.190 1.00 0.00 N ATOM 1481 CA LEU A 92 50.785 16.760 -32.493 1.00 0.00 C ATOM 1482 C LEU A 92 51.118 15.289 -32.266 1.00 0.00 C ATOM 1483 O LEU A 92 51.142 14.496 -33.209 1.00 0.00 O ATOM 1484 CB LEU A 92 51.687 17.656 -31.635 1.00 0.00 C ATOM 1485 CG LEU A 92 53.186 17.542 -31.920 1.00 0.00 C ATOM 1486 CD1 LEU A 92 53.494 17.989 -33.342 1.00 0.00 C ATOM 1487 CD2 LEU A 92 53.977 18.365 -30.915 1.00 0.00 C ATOM 0 H LEU A 92 49.165 17.039 -31.195 1.00 0.00 H new ATOM 0 HA LEU A 92 50.964 17.002 -33.541 1.00 0.00 H new ATOM 0 HB2 LEU A 92 51.384 18.693 -31.780 1.00 0.00 H new ATOM 0 HB3 LEU A 92 51.515 17.418 -30.585 1.00 0.00 H new ATOM 0 HG LEU A 92 53.481 16.498 -31.820 1.00 0.00 H new ATOM 0 HD11 LEU A 92 54.565 17.901 -33.527 1.00 0.00 H new ATOM 0 HD12 LEU A 92 52.951 17.359 -34.047 1.00 0.00 H new ATOM 0 HD13 LEU A 92 53.187 19.027 -33.472 1.00 0.00 H new ATOM 0 HD21 LEU A 92 55.042 18.275 -31.129 1.00 0.00 H new ATOM 0 HD22 LEU A 92 53.679 19.411 -30.987 1.00 0.00 H new ATOM 0 HD23 LEU A 92 53.777 17.999 -29.908 1.00 0.00 H new ATOM 1499 N ALA A 93 51.344 14.931 -31.005 1.00 0.00 N ATOM 1500 CA ALA A 93 51.657 13.561 -30.621 1.00 0.00 C ATOM 1501 C ALA A 93 51.715 13.449 -29.107 1.00 0.00 C ATOM 1502 O ALA A 93 51.985 14.437 -28.420 1.00 0.00 O ATOM 1503 CB ALA A 93 52.983 13.117 -31.225 1.00 0.00 C ATOM 0 H ALA A 93 51.315 15.584 -30.222 1.00 0.00 H new ATOM 0 HA ALA A 93 50.871 12.909 -31.002 1.00 0.00 H new ATOM 0 HB1 ALA A 93 53.195 12.091 -30.924 1.00 0.00 H new ATOM 0 HB2 ALA A 93 52.924 13.171 -32.312 1.00 0.00 H new ATOM 0 HB3 ALA A 93 53.781 13.771 -30.872 1.00 0.00 H new ATOM 1509 N SER A 94 51.451 12.259 -28.592 1.00 0.00 N ATOM 1510 CA SER A 94 51.549 12.019 -27.162 1.00 0.00 C ATOM 1511 C SER A 94 52.817 11.223 -26.861 1.00 0.00 C ATOM 1512 O SER A 94 53.834 11.790 -26.457 1.00 0.00 O ATOM 1513 CB SER A 94 50.306 11.279 -26.654 1.00 0.00 C ATOM 1514 OG SER A 94 50.286 11.208 -25.240 1.00 0.00 O ATOM 0 H SER A 94 51.168 11.447 -29.141 1.00 0.00 H new ATOM 0 HA SER A 94 51.604 12.976 -26.642 1.00 0.00 H new ATOM 0 HB2 SER A 94 49.409 11.788 -27.006 1.00 0.00 H new ATOM 0 HB3 SER A 94 50.285 10.272 -27.070 1.00 0.00 H new ATOM 0 HG SER A 94 49.481 10.732 -24.948 1.00 0.00 H new ATOM 1520 N ALA A 95 52.764 9.916 -27.087 1.00 0.00 N ATOM 1521 CA ALA A 95 53.929 9.066 -26.908 1.00 0.00 C ATOM 1522 C ALA A 95 54.646 8.887 -28.237 1.00 0.00 C ATOM 1523 O ALA A 95 54.007 8.771 -29.283 1.00 0.00 O ATOM 1524 CB ALA A 95 53.526 7.716 -26.329 1.00 0.00 C ATOM 0 H ALA A 95 51.925 9.424 -27.395 1.00 0.00 H new ATOM 0 HA ALA A 95 54.609 9.545 -26.203 1.00 0.00 H new ATOM 0 HB1 ALA A 95 54.413 7.095 -26.203 1.00 0.00 H new ATOM 0 HB2 ALA A 95 53.046 7.864 -25.362 1.00 0.00 H new ATOM 0 HB3 ALA A 95 52.831 7.222 -27.008 1.00 0.00 H new ATOM 1530 N TYR A 96 55.968 8.862 -28.196 1.00 0.00 N ATOM 1531 CA TYR A 96 56.764 8.786 -29.416 1.00 0.00 C ATOM 1532 C TYR A 96 57.036 7.341 -29.828 1.00 0.00 C ATOM 1533 O TYR A 96 57.955 7.070 -30.602 1.00 0.00 O ATOM 1534 CB TYR A 96 58.067 9.566 -29.243 1.00 0.00 C ATOM 1535 CG TYR A 96 57.828 11.039 -29.005 1.00 0.00 C ATOM 1536 CD1 TYR A 96 57.299 11.840 -30.009 1.00 0.00 C ATOM 1537 CD2 TYR A 96 58.103 11.622 -27.776 1.00 0.00 C ATOM 1538 CE1 TYR A 96 57.056 13.183 -29.794 1.00 0.00 C ATOM 1539 CE2 TYR A 96 57.858 12.961 -27.553 1.00 0.00 C ATOM 1540 CZ TYR A 96 57.337 13.737 -28.565 1.00 0.00 C ATOM 1541 OH TYR A 96 57.088 15.071 -28.341 1.00 0.00 O ATOM 0 H TYR A 96 56.514 8.893 -27.335 1.00 0.00 H new ATOM 0 HA TYR A 96 56.189 9.241 -30.222 1.00 0.00 H new ATOM 0 HB2 TYR A 96 58.627 9.151 -28.405 1.00 0.00 H new ATOM 0 HB3 TYR A 96 58.684 9.440 -30.133 1.00 0.00 H new ATOM 0 HD1 TYR A 96 57.074 11.406 -30.972 1.00 0.00 H new ATOM 0 HD2 TYR A 96 58.515 11.018 -26.982 1.00 0.00 H new ATOM 0 HE1 TYR A 96 56.648 13.795 -30.585 1.00 0.00 H new ATOM 0 HE2 TYR A 96 58.074 13.399 -26.590 1.00 0.00 H new ATOM 0 HH TYR A 96 57.341 15.301 -27.423 1.00 0.00 H new ATOM 1551 N PHE A 97 56.214 6.428 -29.302 1.00 0.00 N ATOM 1552 CA PHE A 97 56.182 5.021 -29.722 1.00 0.00 C ATOM 1553 C PHE A 97 57.401 4.219 -29.262 1.00 0.00 C ATOM 1554 O PHE A 97 57.243 3.147 -28.673 1.00 0.00 O ATOM 1555 CB PHE A 97 56.037 4.904 -31.246 1.00 0.00 C ATOM 1556 CG PHE A 97 54.784 5.534 -31.795 1.00 0.00 C ATOM 1557 CD1 PHE A 97 53.565 4.877 -31.718 1.00 0.00 C ATOM 1558 CD2 PHE A 97 54.829 6.786 -32.391 1.00 0.00 C ATOM 1559 CE1 PHE A 97 52.416 5.455 -32.224 1.00 0.00 C ATOM 1560 CE2 PHE A 97 53.683 7.367 -32.898 1.00 0.00 C ATOM 1561 CZ PHE A 97 52.474 6.702 -32.813 1.00 0.00 C ATOM 0 H PHE A 97 55.544 6.646 -28.564 1.00 0.00 H new ATOM 0 HA PHE A 97 55.309 4.590 -29.232 1.00 0.00 H new ATOM 0 HB2 PHE A 97 56.902 5.369 -31.719 1.00 0.00 H new ATOM 0 HB3 PHE A 97 56.051 3.850 -31.522 1.00 0.00 H new ATOM 0 HD1 PHE A 97 53.513 3.902 -31.257 1.00 0.00 H new ATOM 0 HD2 PHE A 97 55.770 7.312 -32.459 1.00 0.00 H new ATOM 0 HE1 PHE A 97 51.474 4.931 -32.159 1.00 0.00 H new ATOM 0 HE2 PHE A 97 53.731 8.341 -33.361 1.00 0.00 H new ATOM 0 HZ PHE A 97 51.577 7.157 -33.206 1.00 0.00 H new ATOM 1571 N ALA A 98 58.600 4.735 -29.543 1.00 0.00 N ATOM 1572 CA ALA A 98 59.863 4.009 -29.350 1.00 0.00 C ATOM 1573 C ALA A 98 60.018 2.944 -30.434 1.00 0.00 C ATOM 1574 O ALA A 98 61.050 2.864 -31.101 1.00 0.00 O ATOM 1575 CB ALA A 98 59.972 3.398 -27.955 1.00 0.00 C ATOM 0 H ALA A 98 58.725 5.677 -29.914 1.00 0.00 H new ATOM 0 HA ALA A 98 60.679 4.726 -29.436 1.00 0.00 H new ATOM 0 HB1 ALA A 98 60.922 2.872 -27.861 1.00 0.00 H new ATOM 0 HB2 ALA A 98 59.919 4.189 -27.206 1.00 0.00 H new ATOM 0 HB3 ALA A 98 59.152 2.696 -27.800 1.00 0.00 H new ATOM 1581 N LYS A 99 58.984 2.131 -30.599 1.00 0.00 N ATOM 1582 CA LYS A 99 58.882 1.213 -31.718 1.00 0.00 C ATOM 1583 C LYS A 99 57.552 1.441 -32.423 1.00 0.00 C ATOM 1584 O LYS A 99 56.493 1.144 -31.872 1.00 0.00 O ATOM 1585 CB LYS A 99 58.984 -0.243 -31.260 1.00 0.00 C ATOM 1586 CG LYS A 99 60.369 -0.647 -30.775 1.00 0.00 C ATOM 1587 CD LYS A 99 60.441 -2.138 -30.507 1.00 0.00 C ATOM 1588 CE LYS A 99 61.840 -2.573 -30.108 1.00 0.00 C ATOM 1589 NZ LYS A 99 61.926 -4.044 -29.917 1.00 0.00 N ATOM 0 H LYS A 99 58.192 2.092 -29.958 1.00 0.00 H new ATOM 0 HA LYS A 99 59.710 1.403 -32.401 1.00 0.00 H new ATOM 0 HB2 LYS A 99 58.266 -0.411 -30.457 1.00 0.00 H new ATOM 0 HB3 LYS A 99 58.696 -0.893 -32.086 1.00 0.00 H new ATOM 0 HG2 LYS A 99 61.114 -0.372 -31.522 1.00 0.00 H new ATOM 0 HG3 LYS A 99 60.613 -0.099 -29.865 1.00 0.00 H new ATOM 0 HD2 LYS A 99 59.739 -2.399 -29.715 1.00 0.00 H new ATOM 0 HD3 LYS A 99 60.132 -2.683 -31.399 1.00 0.00 H new ATOM 0 HE2 LYS A 99 62.550 -2.264 -30.875 1.00 0.00 H new ATOM 0 HE3 LYS A 99 62.128 -2.069 -29.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 62.896 -4.303 -29.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 61.267 -4.336 -29.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 61.675 -4.525 -30.805 1.00 0.00 H new ATOM 1603 N ALA A 100 57.605 1.988 -33.624 1.00 0.00 N ATOM 1604 CA ALA A 100 56.396 2.324 -34.362 1.00 0.00 C ATOM 1605 C ALA A 100 56.265 1.455 -35.601 1.00 0.00 C ATOM 1606 O ALA A 100 55.465 1.736 -36.493 1.00 0.00 O ATOM 1607 CB ALA A 100 56.408 3.795 -34.745 1.00 0.00 C ATOM 0 H ALA A 100 58.473 2.210 -34.112 1.00 0.00 H new ATOM 0 HA ALA A 100 55.535 2.135 -33.720 1.00 0.00 H new ATOM 0 HB1 ALA A 100 55.499 4.035 -35.297 1.00 0.00 H new ATOM 0 HB2 ALA A 100 56.457 4.405 -33.843 1.00 0.00 H new ATOM 0 HB3 ALA A 100 57.277 4.001 -35.370 1.00 0.00 H new ATOM 1613 N GLU A 101 57.064 0.399 -35.649 1.00 0.00 N ATOM 1614 CA GLU A 101 57.050 -0.519 -36.775 1.00 0.00 C ATOM 1615 C GLU A 101 55.730 -1.272 -36.825 1.00 0.00 C ATOM 1616 O GLU A 101 55.511 -2.217 -36.063 1.00 0.00 O ATOM 1617 CB GLU A 101 58.210 -1.522 -36.700 1.00 0.00 C ATOM 1618 CG GLU A 101 59.593 -0.887 -36.639 1.00 0.00 C ATOM 1619 CD GLU A 101 59.920 -0.328 -35.271 1.00 0.00 C ATOM 1620 OE1 GLU A 101 60.289 -1.116 -34.379 1.00 0.00 O ATOM 1621 OE2 GLU A 101 59.806 0.900 -35.083 1.00 0.00 O ATOM 0 H GLU A 101 57.732 0.157 -34.917 1.00 0.00 H new ATOM 0 HA GLU A 101 57.168 0.074 -37.682 1.00 0.00 H new ATOM 0 HB2 GLU A 101 58.074 -2.150 -35.820 1.00 0.00 H new ATOM 0 HB3 GLU A 101 58.163 -2.177 -37.570 1.00 0.00 H new ATOM 0 HG2 GLU A 101 60.342 -1.631 -36.911 1.00 0.00 H new ATOM 0 HG3 GLU A 101 59.654 -0.088 -37.378 1.00 0.00 H new ATOM 1628 N PHE A 102 54.843 -0.831 -37.705 1.00 0.00 N ATOM 1629 CA PHE A 102 53.581 -1.515 -37.928 1.00 0.00 C ATOM 1630 C PHE A 102 53.854 -2.877 -38.543 1.00 0.00 C ATOM 1631 O PHE A 102 53.168 -3.856 -38.243 1.00 0.00 O ATOM 1632 CB PHE A 102 52.673 -0.694 -38.850 1.00 0.00 C ATOM 1633 CG PHE A 102 52.373 0.684 -38.336 1.00 0.00 C ATOM 1634 CD1 PHE A 102 51.438 0.875 -37.331 1.00 0.00 C ATOM 1635 CD2 PHE A 102 53.025 1.789 -38.858 1.00 0.00 C ATOM 1636 CE1 PHE A 102 51.158 2.140 -36.856 1.00 0.00 C ATOM 1637 CE2 PHE A 102 52.749 3.059 -38.386 1.00 0.00 C ATOM 1638 CZ PHE A 102 51.815 3.233 -37.384 1.00 0.00 C ATOM 0 H PHE A 102 54.977 0.002 -38.278 1.00 0.00 H new ATOM 0 HA PHE A 102 53.070 -1.638 -36.973 1.00 0.00 H new ATOM 0 HB2 PHE A 102 53.145 -0.612 -39.829 1.00 0.00 H new ATOM 0 HB3 PHE A 102 51.735 -1.231 -38.992 1.00 0.00 H new ATOM 0 HD1 PHE A 102 50.922 0.023 -36.914 1.00 0.00 H new ATOM 0 HD2 PHE A 102 53.756 1.657 -39.642 1.00 0.00 H new ATOM 0 HE1 PHE A 102 50.426 2.274 -36.073 1.00 0.00 H new ATOM 0 HE2 PHE A 102 53.263 3.914 -38.800 1.00 0.00 H new ATOM 0 HZ PHE A 102 51.599 4.224 -37.014 1.00 0.00 H new ATOM 1648 N ASP A 103 54.897 -2.920 -39.375 1.00 0.00 N ATOM 1649 CA ASP A 103 55.317 -4.134 -40.070 1.00 0.00 C ATOM 1650 C ASP A 103 54.199 -4.665 -40.960 1.00 0.00 C ATOM 1651 O ASP A 103 53.474 -5.597 -40.608 1.00 0.00 O ATOM 1652 CB ASP A 103 55.793 -5.207 -39.086 1.00 0.00 C ATOM 1653 CG ASP A 103 56.314 -6.443 -39.787 1.00 0.00 C ATOM 1654 OD1 ASP A 103 56.978 -6.301 -40.836 1.00 0.00 O ATOM 1655 OD2 ASP A 103 56.056 -7.560 -39.296 1.00 0.00 O ATOM 0 H ASP A 103 55.476 -2.107 -39.585 1.00 0.00 H new ATOM 0 HA ASP A 103 56.163 -3.875 -40.707 1.00 0.00 H new ATOM 0 HB2 ASP A 103 56.578 -4.793 -38.454 1.00 0.00 H new ATOM 0 HB3 ASP A 103 54.969 -5.485 -38.430 1.00 0.00 H new ATOM 1660 N ARG A 104 54.054 -4.032 -42.108 1.00 0.00 N ATOM 1661 CA ARG A 104 53.016 -4.378 -43.065 1.00 0.00 C ATOM 1662 C ARG A 104 53.600 -4.395 -44.470 1.00 0.00 C ATOM 1663 O ARG A 104 52.891 -4.221 -45.464 1.00 0.00 O ATOM 1664 CB ARG A 104 51.868 -3.371 -42.958 1.00 0.00 C ATOM 1665 CG ARG A 104 52.317 -1.926 -43.099 1.00 0.00 C ATOM 1666 CD ARG A 104 51.278 -0.962 -42.557 1.00 0.00 C ATOM 1667 NE ARG A 104 50.020 -1.026 -43.291 1.00 0.00 N ATOM 1668 CZ ARG A 104 48.849 -0.653 -42.782 1.00 0.00 C ATOM 1669 NH1 ARG A 104 48.762 -0.268 -41.511 1.00 0.00 N ATOM 1670 NH2 ARG A 104 47.759 -0.686 -43.531 1.00 0.00 N ATOM 0 H ARG A 104 54.653 -3.262 -42.406 1.00 0.00 H new ATOM 0 HA ARG A 104 52.625 -5.372 -42.846 1.00 0.00 H new ATOM 0 HB2 ARG A 104 51.129 -3.591 -43.728 1.00 0.00 H new ATOM 0 HB3 ARG A 104 51.372 -3.497 -41.995 1.00 0.00 H new ATOM 0 HG2 ARG A 104 53.258 -1.784 -42.568 1.00 0.00 H new ATOM 0 HG3 ARG A 104 52.507 -1.704 -44.149 1.00 0.00 H new ATOM 0 HD2 ARG A 104 51.093 -1.185 -41.506 1.00 0.00 H new ATOM 0 HD3 ARG A 104 51.671 0.054 -42.603 1.00 0.00 H new ATOM 0 HE ARG A 104 50.039 -1.377 -44.249 1.00 0.00 H new ATOM 0 HH11 ARG A 104 49.595 -0.258 -40.923 1.00 0.00 H new ATOM 0 HH12 ARG A 104 47.862 0.017 -41.125 1.00 0.00 H new ATOM 0 HH21 ARG A 104 47.816 -0.998 -44.501 1.00 0.00 H new ATOM 0 HH22 ARG A 104 46.862 -0.400 -43.139 1.00 0.00 H new ATOM 1684 N LEU A 105 54.902 -4.642 -44.538 1.00 0.00 N ATOM 1685 CA LEU A 105 55.624 -4.633 -45.802 1.00 0.00 C ATOM 1686 C LEU A 105 55.452 -5.958 -46.539 1.00 0.00 C ATOM 1687 O LEU A 105 56.388 -6.753 -46.641 1.00 0.00 O ATOM 1688 CB LEU A 105 57.111 -4.352 -45.566 1.00 0.00 C ATOM 1689 CG LEU A 105 57.430 -3.001 -44.922 1.00 0.00 C ATOM 1690 CD1 LEU A 105 58.924 -2.873 -44.663 1.00 0.00 C ATOM 1691 CD2 LEU A 105 56.937 -1.857 -45.797 1.00 0.00 C ATOM 0 H LEU A 105 55.482 -4.852 -43.726 1.00 0.00 H new ATOM 0 HA LEU A 105 55.208 -3.839 -46.422 1.00 0.00 H new ATOM 0 HB2 LEU A 105 57.517 -5.142 -44.933 1.00 0.00 H new ATOM 0 HB3 LEU A 105 57.631 -4.411 -46.522 1.00 0.00 H new ATOM 0 HG LEU A 105 56.909 -2.946 -43.966 1.00 0.00 H new ATOM 0 HD11 LEU A 105 59.132 -1.906 -44.205 1.00 0.00 H new ATOM 0 HD12 LEU A 105 59.247 -3.669 -43.992 1.00 0.00 H new ATOM 0 HD13 LEU A 105 59.465 -2.952 -45.606 1.00 0.00 H new ATOM 0 HD21 LEU A 105 57.174 -0.906 -45.320 1.00 0.00 H new ATOM 0 HD22 LEU A 105 57.425 -1.907 -46.770 1.00 0.00 H new ATOM 0 HD23 LEU A 105 55.858 -1.938 -45.928 1.00 0.00 H new ATOM 1703 N TRP A 106 54.246 -6.198 -47.027 1.00 0.00 N ATOM 1704 CA TRP A 106 53.967 -7.380 -47.825 1.00 0.00 C ATOM 1705 C TRP A 106 54.227 -7.094 -49.296 1.00 0.00 C ATOM 1706 O TRP A 106 54.343 -5.931 -49.695 1.00 0.00 O ATOM 1707 CB TRP A 106 52.522 -7.847 -47.625 1.00 0.00 C ATOM 1708 CG TRP A 106 52.394 -8.950 -46.620 1.00 0.00 C ATOM 1709 CD1 TRP A 106 52.544 -10.287 -46.857 1.00 0.00 C ATOM 1710 CD2 TRP A 106 52.090 -8.821 -45.225 1.00 0.00 C ATOM 1711 NE1 TRP A 106 52.356 -10.996 -45.697 1.00 0.00 N ATOM 1712 CE2 TRP A 106 52.072 -10.119 -44.681 1.00 0.00 C ATOM 1713 CE3 TRP A 106 51.831 -7.734 -44.383 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 51.807 -10.361 -43.336 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 51.568 -7.975 -43.048 1.00 0.00 C ATOM 1716 CH2 TRP A 106 51.556 -9.279 -42.535 1.00 0.00 C ATOM 0 H TRP A 106 53.442 -5.587 -46.884 1.00 0.00 H new ATOM 0 HA TRP A 106 54.632 -8.178 -47.496 1.00 0.00 H new ATOM 0 HB2 TRP A 106 51.914 -7.001 -47.306 1.00 0.00 H new ATOM 0 HB3 TRP A 106 52.121 -8.186 -48.580 1.00 0.00 H new ATOM 0 HD1 TRP A 106 52.777 -10.723 -47.817 1.00 0.00 H new ATOM 0 HE1 TRP A 106 52.417 -12.010 -45.605 1.00 0.00 H new ATOM 0 HE3 TRP A 106 51.837 -6.725 -44.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 51.800 -11.365 -42.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 51.368 -7.144 -42.388 1.00 0.00 H new ATOM 0 HH2 TRP A 106 51.345 -9.434 -41.487 1.00 0.00 H new ATOM 1727 N LYS A 107 54.331 -8.160 -50.084 1.00 0.00 N ATOM 1728 CA LYS A 107 54.578 -8.066 -51.521 1.00 0.00 C ATOM 1729 C LYS A 107 56.000 -7.589 -51.808 1.00 0.00 C ATOM 1730 O LYS A 107 56.722 -7.140 -50.912 1.00 0.00 O ATOM 1731 CB LYS A 107 53.557 -7.149 -52.215 1.00 0.00 C ATOM 1732 CG LYS A 107 52.121 -7.643 -52.109 1.00 0.00 C ATOM 1733 CD LYS A 107 51.168 -6.758 -52.898 1.00 0.00 C ATOM 1734 CE LYS A 107 51.508 -6.751 -54.382 1.00 0.00 C ATOM 1735 NZ LYS A 107 51.410 -8.108 -54.989 1.00 0.00 N ATOM 0 H LYS A 107 54.246 -9.118 -49.743 1.00 0.00 H new ATOM 0 HA LYS A 107 54.461 -9.070 -51.930 1.00 0.00 H new ATOM 0 HB2 LYS A 107 53.622 -6.152 -51.779 1.00 0.00 H new ATOM 0 HB3 LYS A 107 53.823 -7.055 -53.268 1.00 0.00 H new ATOM 0 HG2 LYS A 107 52.059 -8.667 -52.478 1.00 0.00 H new ATOM 0 HG3 LYS A 107 51.818 -7.663 -51.062 1.00 0.00 H new ATOM 0 HD2 LYS A 107 50.146 -7.110 -52.760 1.00 0.00 H new ATOM 0 HD3 LYS A 107 51.210 -5.740 -52.510 1.00 0.00 H new ATOM 0 HE2 LYS A 107 50.834 -6.072 -54.904 1.00 0.00 H new ATOM 0 HE3 LYS A 107 52.518 -6.366 -54.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 51.465 -8.030 -56.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 52.192 -8.700 -54.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 50.504 -8.543 -54.723 1.00 0.00 H new ATOM 1749 N LYS A 108 56.400 -7.702 -53.059 1.00 0.00 N ATOM 1750 CA LYS A 108 57.740 -7.330 -53.478 1.00 0.00 C ATOM 1751 C LYS A 108 57.665 -6.331 -54.622 1.00 0.00 C ATOM 1752 O LYS A 108 58.020 -5.154 -54.410 1.00 0.00 O ATOM 1753 CB LYS A 108 58.524 -8.577 -53.897 1.00 0.00 C ATOM 1754 CG LYS A 108 58.638 -9.609 -52.785 1.00 0.00 C ATOM 1755 CD LYS A 108 59.205 -10.924 -53.291 1.00 0.00 C ATOM 1756 CE LYS A 108 59.223 -11.968 -52.187 1.00 0.00 C ATOM 1757 NZ LYS A 108 59.597 -13.313 -52.690 1.00 0.00 N ATOM 1758 OXT LYS A 108 57.204 -6.716 -55.720 1.00 0.00 O ATOM 0 H LYS A 108 55.809 -8.053 -53.813 1.00 0.00 H new ATOM 0 HA LYS A 108 58.261 -6.862 -52.643 1.00 0.00 H new ATOM 0 HB2 LYS A 108 58.037 -9.033 -54.759 1.00 0.00 H new ATOM 0 HB3 LYS A 108 59.524 -8.281 -54.215 1.00 0.00 H new ATOM 0 HG2 LYS A 108 59.276 -9.219 -51.992 1.00 0.00 H new ATOM 0 HG3 LYS A 108 57.655 -9.782 -52.347 1.00 0.00 H new ATOM 0 HD2 LYS A 108 58.607 -11.284 -54.128 1.00 0.00 H new ATOM 0 HD3 LYS A 108 60.217 -10.768 -53.666 1.00 0.00 H new ATOM 0 HE2 LYS A 108 59.927 -11.663 -51.413 1.00 0.00 H new ATOM 0 HE3 LYS A 108 58.239 -12.018 -51.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 59.596 -13.991 -51.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 58.911 -13.618 -53.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 60.547 -13.274 -53.112 1.00 0.00 H new TER 1772 LYS A 108