USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 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 NoAdj-H: A 37 ALY H2 : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD NoAdj-H: A 37 ALY H : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD Set 1.1: A 61 SER OG : rot -59:sc= 0.712 USER MOD Set 1.2: A 94 GLN : amide:sc= 0.665 X(o=1.4,f=1) USER MOD Set 2.1: A 29 GLN :FLIP amide:sc= 0.0345 F(o=-5.1!,f=-2.5) USER MOD Set 2.2: A 92 GLN : amide:sc= -2.52! C(o=-2.5!,f=-5.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0151) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.65) USER MOD Single : A 7 LYS NZ :NH3+ -130:sc= 0.729 (180deg=0.184!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1) USER MOD Single : A 21 TYR OH : rot 180:sc= -1.6! USER MOD Single : A 23 LYS NZ :NH3+ -171:sc=-0.00581 (180deg=-0.11) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0357) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 104:sc= 1.34 USER MOD Single : A 35 HIS : no HD1:sc= 0.491 K(o=0.49,f=-4.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -156:sc= -1.4 (180deg=-2.33!) USER MOD Single : A 41 THR OG1 : rot 32:sc= 0.74 USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00132 USER MOD Single : A 43 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.022) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.11) USER MOD Single : A 46 LYS NZ :NH3+ -111:sc= 0.916 (180deg=-0.00645) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0.788 (180deg=-0.212) USER MOD Single : A 50 SER OG : rot 101:sc= 1.22 USER MOD Single : A 51 TYR OH : rot 125:sc= 0.016 USER MOD Single : A 52 CYS SG : rot 57:sc= 1.17 USER MOD Single : A 53 GLN : amide:sc= -0.0792 X(o=-0.079,f=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.192 F(o=-2.6!,f=-0.19) USER MOD Single : A 59 MET CE :methyl -165:sc= -6.12! (180deg=-6.42!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.184 F(o=-2.8!,f=-0.18) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.141 F(o=-1.3,f=-0.14) USER MOD Single : A 74 ASN : amide:sc= 0.832 K(o=0.83,f=-0.23) USER MOD Single : A 75 HIS : no HE2:sc= 0.175 K(o=0.17,f=-2.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.864 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 154:sc= -1.3 (180deg=-4!) USER MOD Single : A 91 TYR OH : rot -2:sc= 0.334 USER MOD Single : A 95 THR OG1 : rot -27:sc= 0.185 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.176 22.548 4.925 1.00 0.00 N ATOM 2 CA MET A 1 4.695 23.940 4.914 1.00 0.00 C ATOM 3 C MET A 1 3.456 24.072 4.056 1.00 0.00 C ATOM 4 O MET A 1 3.480 23.791 2.860 1.00 0.00 O ATOM 5 CB MET A 1 5.778 24.886 4.401 1.00 0.00 C ATOM 6 CG MET A 1 6.948 25.061 5.348 1.00 0.00 C ATOM 7 SD MET A 1 6.455 25.781 6.922 1.00 0.00 S ATOM 8 CE MET A 1 8.044 25.918 7.738 1.00 0.00 C ATOM 0 H1 MET A 1 5.986 22.466 5.573 1.00 0.00 H new ATOM 0 H2 MET A 1 4.412 21.919 5.244 1.00 0.00 H new ATOM 0 H3 MET A 1 5.471 22.275 3.966 1.00 0.00 H new ATOM 0 HA MET A 1 4.447 24.213 5.940 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.150 24.512 3.447 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.331 25.862 4.209 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.416 24.093 5.525 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.699 25.697 4.880 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.908 26.349 8.730 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.492 24.929 7.831 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.701 26.560 7.150 1.00 0.00 H new ATOM 18 N SER A 2 2.371 24.495 4.662 1.00 0.00 N ATOM 19 CA SER A 2 1.124 24.674 3.951 1.00 0.00 C ATOM 20 C SER A 2 0.465 25.980 4.341 1.00 0.00 C ATOM 21 O SER A 2 0.756 26.549 5.400 1.00 0.00 O ATOM 22 CB SER A 2 0.182 23.496 4.215 1.00 0.00 C ATOM 23 OG SER A 2 0.137 23.168 5.601 1.00 0.00 O ATOM 0 H SER A 2 2.326 24.724 5.655 1.00 0.00 H new ATOM 0 HA SER A 2 1.342 24.709 2.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.820 23.744 3.865 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.513 22.628 3.645 1.00 0.00 H new ATOM 0 HG SER A 2 -0.473 22.414 5.739 1.00 0.00 H new ATOM 29 N ASP A 3 -0.407 26.471 3.485 1.00 0.00 N ATOM 30 CA ASP A 3 -1.137 27.686 3.759 1.00 0.00 C ATOM 31 C ASP A 3 -2.319 27.368 4.649 1.00 0.00 C ATOM 32 O ASP A 3 -3.014 26.364 4.448 1.00 0.00 O ATOM 33 CB ASP A 3 -1.584 28.371 2.458 1.00 0.00 C ATOM 34 CG ASP A 3 -2.449 27.494 1.580 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.919 26.511 1.001 1.00 0.00 O ATOM 36 OD2 ASP A 3 -3.649 27.789 1.430 1.00 0.00 O ATOM 0 H ASP A 3 -0.627 26.041 2.587 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.482 28.387 4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.134 29.279 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.701 28.676 1.896 1.00 0.00 H new ATOM 41 N GLN A 4 -2.549 28.209 5.637 1.00 0.00 N ATOM 42 CA GLN A 4 -3.583 27.968 6.625 1.00 0.00 C ATOM 43 C GLN A 4 -3.752 29.187 7.519 1.00 0.00 C ATOM 44 O GLN A 4 -3.129 30.228 7.293 1.00 0.00 O ATOM 45 CB GLN A 4 -3.225 26.735 7.478 1.00 0.00 C ATOM 46 CG GLN A 4 -1.873 26.837 8.184 1.00 0.00 C ATOM 47 CD GLN A 4 -1.531 25.589 8.980 1.00 0.00 C ATOM 48 OE1 GLN A 4 -1.938 24.482 8.630 1.00 0.00 O ATOM 49 NE2 GLN A 4 -0.777 25.758 10.052 1.00 0.00 N ATOM 0 H GLN A 4 -2.028 29.074 5.778 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.523 27.779 6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.003 26.586 8.226 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -3.224 25.852 6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.094 27.015 7.443 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.881 27.698 8.852 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.459 26.692 10.310 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.513 24.954 10.622 1.00 0.00 H new ATOM 58 N GLU A 5 -4.589 29.063 8.531 1.00 0.00 N ATOM 59 CA GLU A 5 -4.828 30.140 9.475 1.00 0.00 C ATOM 60 C GLU A 5 -3.841 30.040 10.635 1.00 0.00 C ATOM 61 O GLU A 5 -3.602 31.013 11.357 1.00 0.00 O ATOM 62 CB GLU A 5 -6.266 30.067 9.988 1.00 0.00 C ATOM 63 CG GLU A 5 -6.665 31.192 10.921 1.00 0.00 C ATOM 64 CD GLU A 5 -8.069 31.027 11.441 1.00 0.00 C ATOM 65 OE1 GLU A 5 -8.291 30.129 12.276 1.00 0.00 O ATOM 66 OE2 GLU A 5 -8.966 31.784 11.004 1.00 0.00 O ATOM 0 H GLU A 5 -5.122 28.215 8.723 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.683 31.098 8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.942 30.066 9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.405 29.118 10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.970 31.230 11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.583 32.144 10.396 1.00 0.00 H new ATOM 73 N ALA A 6 -3.255 28.842 10.789 1.00 0.00 N ATOM 74 CA ALA A 6 -2.284 28.536 11.841 1.00 0.00 C ATOM 75 C ALA A 6 -2.933 28.457 13.222 1.00 0.00 C ATOM 76 O ALA A 6 -3.689 29.342 13.632 1.00 0.00 O ATOM 77 CB ALA A 6 -1.123 29.523 11.831 1.00 0.00 C ATOM 0 H ALA A 6 -3.448 28.050 10.175 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.883 27.546 11.621 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.421 29.267 12.624 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.615 29.477 10.868 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.502 30.532 11.994 1.00 0.00 H new ATOM 83 N LYS A 7 -2.644 27.390 13.935 1.00 0.00 N ATOM 84 CA LYS A 7 -3.188 27.188 15.265 1.00 0.00 C ATOM 85 C LYS A 7 -2.073 27.268 16.299 1.00 0.00 C ATOM 86 O LYS A 7 -0.906 27.040 15.972 1.00 0.00 O ATOM 87 CB LYS A 7 -3.875 25.818 15.364 1.00 0.00 C ATOM 88 CG LYS A 7 -2.927 24.636 15.151 1.00 0.00 C ATOM 89 CD LYS A 7 -3.532 23.327 15.642 1.00 0.00 C ATOM 90 CE LYS A 7 -3.696 23.319 17.161 1.00 0.00 C ATOM 91 NZ LYS A 7 -4.285 22.051 17.647 1.00 0.00 N ATOM 0 H LYS A 7 -2.030 26.641 13.614 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.924 27.969 15.458 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.341 25.726 16.345 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.675 25.768 14.625 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.687 24.550 14.091 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.990 24.823 15.676 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.502 23.174 15.170 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.896 22.495 15.340 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.725 23.472 17.632 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.331 24.153 17.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.083 22.259 18.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.622 21.492 16.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.564 21.510 18.165 1.00 0.00 H new ATOM 105 N PRO A 8 -2.402 27.605 17.552 1.00 0.00 N ATOM 106 CA PRO A 8 -1.423 27.632 18.627 1.00 0.00 C ATOM 107 C PRO A 8 -1.084 26.217 19.088 1.00 0.00 C ATOM 108 O PRO A 8 -1.641 25.229 18.594 1.00 0.00 O ATOM 109 CB PRO A 8 -2.139 28.401 19.735 1.00 0.00 C ATOM 110 CG PRO A 8 -3.577 28.110 19.512 1.00 0.00 C ATOM 111 CD PRO A 8 -3.745 28.002 18.019 1.00 0.00 C ATOM 0 HA PRO A 8 -0.478 28.086 18.331 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.815 28.071 20.722 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.935 29.470 19.673 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.870 27.184 20.007 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.205 28.902 19.920 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.499 27.261 17.752 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.059 28.949 17.580 1.00 0.00 H new ATOM 119 N SER A 9 -0.197 26.110 20.032 1.00 0.00 N ATOM 120 CA SER A 9 0.213 24.820 20.530 1.00 0.00 C ATOM 121 C SER A 9 -0.514 24.480 21.823 1.00 0.00 C ATOM 122 O SER A 9 -0.430 25.211 22.806 1.00 0.00 O ATOM 123 CB SER A 9 1.719 24.797 20.755 1.00 0.00 C ATOM 124 OG SER A 9 2.426 25.123 19.564 1.00 0.00 O ATOM 0 H SER A 9 0.263 26.903 20.479 1.00 0.00 H new ATOM 0 HA SER A 9 -0.047 24.069 19.784 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.982 25.504 21.541 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.022 23.809 21.101 1.00 0.00 H new ATOM 0 HG SER A 9 3.390 25.102 19.740 1.00 0.00 H new ATOM 130 N THR A 10 -1.265 23.391 21.813 1.00 0.00 N ATOM 131 CA THR A 10 -1.948 22.935 23.006 1.00 0.00 C ATOM 132 C THR A 10 -0.934 22.355 24.018 1.00 0.00 C ATOM 133 O THR A 10 0.274 22.321 23.760 1.00 0.00 O ATOM 134 CB THR A 10 -3.042 21.886 22.664 1.00 0.00 C ATOM 135 OG1 THR A 10 -3.775 21.518 23.843 1.00 0.00 O ATOM 136 CG2 THR A 10 -2.426 20.647 22.038 1.00 0.00 C ATOM 0 H THR A 10 -1.415 22.808 20.990 1.00 0.00 H new ATOM 0 HA THR A 10 -2.442 23.794 23.460 1.00 0.00 H new ATOM 0 HB THR A 10 -3.726 22.339 21.946 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.461 20.858 23.609 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.211 19.927 21.807 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.906 20.923 21.121 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.718 20.200 22.736 1.00 0.00 H new ATOM 144 N GLU A 11 -1.423 21.890 25.156 1.00 0.00 N ATOM 145 CA GLU A 11 -0.558 21.380 26.219 1.00 0.00 C ATOM 146 C GLU A 11 -0.186 19.921 25.999 1.00 0.00 C ATOM 147 O GLU A 11 0.451 19.298 26.849 1.00 0.00 O ATOM 148 CB GLU A 11 -1.242 21.541 27.567 1.00 0.00 C ATOM 149 CG GLU A 11 -1.611 22.972 27.898 1.00 0.00 C ATOM 150 CD GLU A 11 -2.352 23.083 29.205 1.00 0.00 C ATOM 151 OE1 GLU A 11 -1.707 23.011 30.268 1.00 0.00 O ATOM 152 OE2 GLU A 11 -3.589 23.214 29.181 1.00 0.00 O ATOM 0 H GLU A 11 -2.419 21.853 25.372 1.00 0.00 H new ATOM 0 HA GLU A 11 0.363 21.963 26.201 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.145 20.930 27.581 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.584 21.156 28.346 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.706 23.577 27.944 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.228 23.381 27.097 1.00 0.00 H new ATOM 159 N ASP A 12 -0.584 19.382 24.854 1.00 0.00 N ATOM 160 CA ASP A 12 -0.296 17.982 24.491 1.00 0.00 C ATOM 161 C ASP A 12 -0.852 17.043 25.546 1.00 0.00 C ATOM 162 O ASP A 12 -0.185 16.121 26.022 1.00 0.00 O ATOM 163 CB ASP A 12 1.200 17.776 24.341 1.00 0.00 C ATOM 164 CG ASP A 12 1.565 16.435 23.724 1.00 0.00 C ATOM 165 OD1 ASP A 12 1.203 16.195 22.557 1.00 0.00 O ATOM 166 OD2 ASP A 12 2.239 15.622 24.398 1.00 0.00 O ATOM 0 H ASP A 12 -1.114 19.892 24.147 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.776 17.761 23.538 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.609 18.575 23.723 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.671 17.857 25.321 1.00 0.00 H new ATOM 171 N LEU A 13 -2.078 17.305 25.920 1.00 0.00 N ATOM 172 CA LEU A 13 -2.789 16.519 26.915 1.00 0.00 C ATOM 173 C LEU A 13 -2.781 15.021 26.585 1.00 0.00 C ATOM 174 O LEU A 13 -2.708 14.180 27.474 1.00 0.00 O ATOM 175 CB LEU A 13 -4.215 17.062 27.091 1.00 0.00 C ATOM 176 CG LEU A 13 -4.902 17.590 25.817 1.00 0.00 C ATOM 177 CD1 LEU A 13 -5.524 16.462 25.017 1.00 0.00 C ATOM 178 CD2 LEU A 13 -5.945 18.640 26.167 1.00 0.00 C ATOM 0 H LEU A 13 -2.624 18.079 25.541 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.264 16.619 27.865 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.834 16.270 27.511 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.187 17.868 27.825 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.138 18.056 25.195 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.000 16.868 24.125 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.749 15.753 24.724 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.270 15.952 25.626 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.419 19.001 25.254 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.700 18.200 26.818 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.465 19.473 26.680 1.00 0.00 H new ATOM 190 N GLY A 14 -2.849 14.687 25.310 1.00 0.00 N ATOM 191 CA GLY A 14 -2.754 13.296 24.902 1.00 0.00 C ATOM 192 C GLY A 14 -4.099 12.638 24.715 1.00 0.00 C ATOM 193 O GLY A 14 -4.254 11.769 23.857 1.00 0.00 O ATOM 0 H GLY A 14 -2.968 15.351 24.545 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.194 13.235 23.969 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.187 12.743 25.650 1.00 0.00 H new ATOM 197 N ASP A 15 -5.075 13.042 25.517 1.00 0.00 N ATOM 198 CA ASP A 15 -6.427 12.477 25.448 1.00 0.00 C ATOM 199 C ASP A 15 -7.024 12.657 24.057 1.00 0.00 C ATOM 200 O ASP A 15 -7.692 11.771 23.530 1.00 0.00 O ATOM 201 CB ASP A 15 -7.332 13.126 26.492 1.00 0.00 C ATOM 202 CG ASP A 15 -8.658 12.414 26.625 1.00 0.00 C ATOM 203 OD1 ASP A 15 -8.709 11.381 27.324 1.00 0.00 O ATOM 204 OD2 ASP A 15 -9.655 12.884 26.045 1.00 0.00 O ATOM 0 H ASP A 15 -4.960 13.763 26.229 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.355 11.410 25.657 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.825 13.129 27.457 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.507 14.167 26.221 1.00 0.00 H new ATOM 209 N LYS A 16 -6.777 13.807 23.466 1.00 0.00 N ATOM 210 CA LYS A 16 -7.238 14.096 22.126 1.00 0.00 C ATOM 211 C LYS A 16 -6.043 14.150 21.195 1.00 0.00 C ATOM 212 O LYS A 16 -4.941 14.528 21.608 1.00 0.00 O ATOM 213 CB LYS A 16 -8.005 15.417 22.103 1.00 0.00 C ATOM 214 CG LYS A 16 -9.164 15.455 23.087 1.00 0.00 C ATOM 215 CD LYS A 16 -9.903 16.781 23.047 1.00 0.00 C ATOM 216 CE LYS A 16 -10.640 16.974 21.733 1.00 0.00 C ATOM 217 NZ LYS A 16 -11.455 18.207 21.744 1.00 0.00 N ATOM 0 H LYS A 16 -6.252 14.566 23.901 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.916 13.311 21.793 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.318 16.232 22.329 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.386 15.591 21.097 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.859 14.646 22.860 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.789 15.280 24.095 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.613 16.827 23.873 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.195 17.597 23.190 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.921 17.019 20.915 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.283 16.114 21.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.944 18.308 20.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.157 18.152 22.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.838 19.030 21.898 1.00 0.00 H new ATOM 231 N LYS A 17 -6.228 13.764 19.953 1.00 0.00 N ATOM 232 CA LYS A 17 -5.127 13.716 19.025 1.00 0.00 C ATOM 233 C LYS A 17 -5.142 14.900 18.071 1.00 0.00 C ATOM 234 O LYS A 17 -6.199 15.433 17.732 1.00 0.00 O ATOM 235 CB LYS A 17 -5.158 12.408 18.239 1.00 0.00 C ATOM 236 CG LYS A 17 -3.786 11.786 18.039 1.00 0.00 C ATOM 237 CD LYS A 17 -3.403 10.847 19.190 1.00 0.00 C ATOM 238 CE LYS A 17 -3.415 11.542 20.549 1.00 0.00 C ATOM 239 NZ LYS A 17 -3.107 10.603 21.656 1.00 0.00 N ATOM 0 H LYS A 17 -7.128 13.480 19.565 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.205 13.768 19.603 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.798 11.696 18.760 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.611 12.590 17.264 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.773 11.232 17.101 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.040 12.576 17.953 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.095 10.005 19.211 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.410 10.439 19.005 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.687 12.353 20.548 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.393 11.993 20.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.401 11.024 22.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.620 9.711 21.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.084 10.415 21.678 1.00 0.00 H new ATOM 253 N GLU A 18 -3.959 15.304 17.634 1.00 0.00 N ATOM 254 CA GLU A 18 -3.806 16.418 16.701 1.00 0.00 C ATOM 255 C GLU A 18 -4.019 15.962 15.265 1.00 0.00 C ATOM 256 O GLU A 18 -4.095 16.774 14.344 1.00 0.00 O ATOM 257 CB GLU A 18 -2.419 17.043 16.853 1.00 0.00 C ATOM 258 CG GLU A 18 -2.256 17.875 18.112 1.00 0.00 C ATOM 259 CD GLU A 18 -3.036 19.167 18.044 1.00 0.00 C ATOM 260 OE1 GLU A 18 -4.276 19.133 18.177 1.00 0.00 O ATOM 261 OE2 GLU A 18 -2.413 20.232 17.849 1.00 0.00 O ATOM 0 H GLU A 18 -3.078 14.872 17.913 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.564 17.165 16.936 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.671 16.250 16.854 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.217 17.671 15.985 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.588 17.296 18.974 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.200 18.097 18.265 1.00 0.00 H new ATOM 268 N GLY A 19 -4.116 14.663 15.074 1.00 0.00 N ATOM 269 CA GLY A 19 -4.331 14.123 13.759 1.00 0.00 C ATOM 270 C GLY A 19 -5.357 13.022 13.778 1.00 0.00 C ATOM 271 O GLY A 19 -5.429 12.248 14.737 1.00 0.00 O ATOM 0 H GLY A 19 -4.049 13.966 15.816 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.659 14.916 13.087 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.391 13.739 13.363 1.00 0.00 H new ATOM 275 N GLU A 20 -6.167 12.950 12.741 1.00 0.00 N ATOM 276 CA GLU A 20 -7.187 11.927 12.643 1.00 0.00 C ATOM 277 C GLU A 20 -6.659 10.717 11.885 1.00 0.00 C ATOM 278 O GLU A 20 -5.651 10.802 11.167 1.00 0.00 O ATOM 279 CB GLU A 20 -8.438 12.485 11.966 1.00 0.00 C ATOM 280 CG GLU A 20 -8.198 13.034 10.573 1.00 0.00 C ATOM 281 CD GLU A 20 -9.463 13.565 9.948 1.00 0.00 C ATOM 282 OE1 GLU A 20 -10.301 12.755 9.525 1.00 0.00 O ATOM 283 OE2 GLU A 20 -9.631 14.802 9.885 1.00 0.00 O ATOM 0 H GLU A 20 -6.137 13.593 11.950 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.455 11.608 13.650 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.189 11.697 11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.853 13.277 12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.455 13.830 10.621 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.783 12.249 9.941 1.00 0.00 H new ATOM 290 N TYR A 21 -7.330 9.590 12.038 1.00 0.00 N ATOM 291 CA TYR A 21 -6.912 8.353 11.402 1.00 0.00 C ATOM 292 C TYR A 21 -8.053 7.758 10.599 1.00 0.00 C ATOM 293 O TYR A 21 -9.213 7.836 10.999 1.00 0.00 O ATOM 294 CB TYR A 21 -6.438 7.334 12.443 1.00 0.00 C ATOM 295 CG TYR A 21 -5.160 7.716 13.180 1.00 0.00 C ATOM 296 CD1 TYR A 21 -5.126 8.789 14.066 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.991 6.988 12.998 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.972 9.124 14.740 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.832 7.319 13.670 1.00 0.00 C ATOM 300 CZ TYR A 21 -2.830 8.387 14.538 1.00 0.00 C ATOM 301 OH TYR A 21 -1.676 8.723 15.203 1.00 0.00 O ATOM 0 H TYR A 21 -8.175 9.506 12.603 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.083 8.587 10.734 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.232 7.188 13.175 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.282 6.376 11.947 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.022 9.370 14.228 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.989 6.148 12.319 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.965 9.961 15.423 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.931 6.743 13.516 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.960 8.103 14.950 1.00 0.00 H new ATOM 311 N ILE A 22 -7.734 7.161 9.473 1.00 0.00 N ATOM 312 CA ILE A 22 -8.730 6.562 8.612 1.00 0.00 C ATOM 313 C ILE A 22 -8.351 5.129 8.270 1.00 0.00 C ATOM 314 O ILE A 22 -7.193 4.739 8.377 1.00 0.00 O ATOM 315 CB ILE A 22 -8.867 7.339 7.300 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.500 7.489 6.642 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.510 8.700 7.539 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.571 7.627 5.154 1.00 0.00 C ATOM 0 H ILE A 22 -6.778 7.077 9.128 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.675 6.585 9.154 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.518 6.780 6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.999 8.363 7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.888 6.622 6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.596 9.233 6.592 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.502 8.563 7.970 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.892 9.279 8.226 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.564 7.730 4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.044 6.742 4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.157 8.510 4.898 1.00 0.00 H new ATOM 330 N LYS A 23 -9.319 4.347 7.840 1.00 0.00 N ATOM 331 CA LYS A 23 -9.063 2.972 7.451 1.00 0.00 C ATOM 332 C LYS A 23 -9.352 2.771 5.970 1.00 0.00 C ATOM 333 O LYS A 23 -10.339 3.268 5.451 1.00 0.00 O ATOM 334 CB LYS A 23 -9.851 1.982 8.345 1.00 0.00 C ATOM 335 CG LYS A 23 -11.341 2.279 8.482 1.00 0.00 C ATOM 336 CD LYS A 23 -12.138 1.745 7.305 1.00 0.00 C ATOM 337 CE LYS A 23 -13.594 2.143 7.400 1.00 0.00 C ATOM 338 NZ LYS A 23 -14.253 1.577 8.606 1.00 0.00 N ATOM 0 H LYS A 23 -10.292 4.639 7.750 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.005 2.759 7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.732 0.977 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.404 1.979 9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.716 1.836 9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.490 3.356 8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.715 2.125 6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.057 0.658 7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.671 3.230 7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.120 1.804 6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.278 1.745 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.072 0.554 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.871 2.035 9.458 1.00 0.00 H new ATOM 352 N LEU A 24 -8.467 2.073 5.285 1.00 0.00 N ATOM 353 CA LEU A 24 -8.591 1.853 3.852 1.00 0.00 C ATOM 354 C LEU A 24 -8.408 0.377 3.505 1.00 0.00 C ATOM 355 O LEU A 24 -8.227 -0.473 4.393 1.00 0.00 O ATOM 356 CB LEU A 24 -7.581 2.699 3.064 1.00 0.00 C ATOM 357 CG LEU A 24 -7.474 4.167 3.455 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.552 4.339 4.653 1.00 0.00 C ATOM 359 CD2 LEU A 24 -6.981 4.982 2.287 1.00 0.00 C ATOM 0 H LEU A 24 -7.642 1.642 5.703 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.597 2.161 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.596 2.244 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.842 2.645 2.007 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.465 4.523 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.490 5.395 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.947 3.777 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.558 3.968 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.909 6.030 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.999 4.622 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.679 4.885 1.455 1.00 0.00 H new ATOM 371 N LYS A 25 -8.432 0.075 2.209 1.00 0.00 N ATOM 372 CA LYS A 25 -8.332 -1.287 1.726 1.00 0.00 C ATOM 373 C LYS A 25 -7.606 -1.309 0.387 1.00 0.00 C ATOM 374 O LYS A 25 -7.766 -0.409 -0.435 1.00 0.00 O ATOM 375 CB LYS A 25 -9.738 -1.912 1.604 1.00 0.00 C ATOM 376 CG LYS A 25 -9.770 -3.311 0.973 1.00 0.00 C ATOM 377 CD LYS A 25 -10.007 -3.253 -0.529 1.00 0.00 C ATOM 378 CE LYS A 25 -11.406 -2.756 -0.857 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.453 -3.762 -0.537 1.00 0.00 N ATOM 0 H LYS A 25 -8.521 0.772 1.470 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.758 -1.881 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.183 -1.967 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.365 -1.247 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.827 -3.820 1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.557 -3.902 1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.270 -2.595 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.862 -4.244 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.603 -1.840 -0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.460 -2.503 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.371 -3.435 -0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.209 -4.671 -0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.513 -3.885 0.494 1.00 0.00 H new ATOM 393 N VAL A 26 -6.809 -2.336 0.158 1.00 0.00 N ATOM 394 CA VAL A 26 -6.070 -2.446 -1.094 1.00 0.00 C ATOM 395 C VAL A 26 -6.132 -3.877 -1.597 1.00 0.00 C ATOM 396 O VAL A 26 -6.089 -4.824 -0.806 1.00 0.00 O ATOM 397 CB VAL A 26 -4.584 -1.987 -0.964 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.475 -0.728 -0.133 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.721 -3.067 -0.378 1.00 0.00 C ATOM 0 H VAL A 26 -6.655 -3.102 0.814 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.544 -1.774 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.225 -1.774 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.429 -0.431 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.047 0.071 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.871 -0.915 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.694 -2.711 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.088 -3.328 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.754 -3.947 -1.020 1.00 0.00 H new ATOM 409 N ILE A 27 -6.273 -4.041 -2.898 1.00 0.00 N ATOM 410 CA ILE A 27 -6.387 -5.360 -3.503 1.00 0.00 C ATOM 411 C ILE A 27 -5.253 -5.583 -4.487 1.00 0.00 C ATOM 412 O ILE A 27 -4.788 -4.646 -5.139 1.00 0.00 O ATOM 413 CB ILE A 27 -7.739 -5.490 -4.240 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.868 -5.077 -3.301 1.00 0.00 C ATOM 415 CG2 ILE A 27 -7.954 -6.918 -4.740 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.178 -4.805 -3.995 1.00 0.00 C ATOM 0 H ILE A 27 -6.312 -3.270 -3.565 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.332 -6.110 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.732 -4.832 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.017 -5.864 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.565 -4.182 -2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.912 -6.983 -5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.153 -7.187 -5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.950 -7.604 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.928 -4.518 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.048 -3.996 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.507 -5.704 -4.516 1.00 0.00 H new ATOM 428 N GLY A 28 -4.792 -6.814 -4.596 1.00 0.00 N ATOM 429 CA GLY A 28 -3.708 -7.095 -5.499 1.00 0.00 C ATOM 430 C GLY A 28 -4.017 -8.202 -6.468 1.00 0.00 C ATOM 431 O GLY A 28 -5.099 -8.785 -6.444 1.00 0.00 O ATOM 0 H GLY A 28 -5.147 -7.618 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.464 -6.191 -6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.823 -7.362 -4.922 1.00 0.00 H new ATOM 435 N GLN A 29 -3.039 -8.519 -7.314 1.00 0.00 N ATOM 436 CA GLN A 29 -3.174 -9.556 -8.344 1.00 0.00 C ATOM 437 C GLN A 29 -3.394 -10.928 -7.710 1.00 0.00 C ATOM 438 O GLN A 29 -3.787 -11.886 -8.370 1.00 0.00 O ATOM 439 CB GLN A 29 -1.911 -9.585 -9.238 1.00 0.00 C ATOM 440 CG GLN A 29 -0.777 -10.492 -8.723 1.00 0.00 C ATOM 441 CD GLN A 29 -0.221 -10.093 -7.357 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.154 -8.808 -7.083 1.00 0.00 O flip ATOM 443 NE2 GLN A 29 0.174 -10.944 -6.569 1.00 0.00 N flip ATOM 0 H GLN A 29 -2.126 -8.064 -7.307 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.043 -9.317 -8.957 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.197 -9.916 -10.236 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.529 -8.569 -9.336 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.145 -11.517 -8.667 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.036 -10.484 -9.449 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.108 -11.933 -6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.568 -10.664 -5.671 1.00 0.00 H new ATOM 452 N ASP A 30 -3.143 -11.006 -6.416 1.00 0.00 N ATOM 453 CA ASP A 30 -3.277 -12.238 -5.670 1.00 0.00 C ATOM 454 C ASP A 30 -4.734 -12.442 -5.271 1.00 0.00 C ATOM 455 O ASP A 30 -5.089 -13.435 -4.649 1.00 0.00 O ATOM 456 CB ASP A 30 -2.383 -12.170 -4.422 1.00 0.00 C ATOM 457 CG ASP A 30 -2.319 -13.484 -3.658 1.00 0.00 C ATOM 458 OD1 ASP A 30 -1.662 -14.430 -4.139 1.00 0.00 O ATOM 459 OD2 ASP A 30 -2.916 -13.570 -2.568 1.00 0.00 O ATOM 0 H ASP A 30 -2.839 -10.212 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.966 -13.081 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.375 -11.881 -4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.755 -11.389 -3.759 1.00 0.00 H new ATOM 464 N SER A 31 -5.580 -11.464 -5.628 1.00 0.00 N ATOM 465 CA SER A 31 -7.018 -11.482 -5.329 1.00 0.00 C ATOM 466 C SER A 31 -7.256 -11.271 -3.838 1.00 0.00 C ATOM 467 O SER A 31 -8.386 -11.321 -3.351 1.00 0.00 O ATOM 468 CB SER A 31 -7.664 -12.792 -5.802 1.00 0.00 C ATOM 469 OG SER A 31 -7.341 -13.057 -7.162 1.00 0.00 O ATOM 0 H SER A 31 -5.282 -10.632 -6.137 1.00 0.00 H new ATOM 0 HA SER A 31 -7.487 -10.662 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.323 -13.617 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.746 -12.731 -5.687 1.00 0.00 H new ATOM 0 HG SER A 31 -7.762 -13.897 -7.441 1.00 0.00 H new ATOM 475 N SER A 32 -6.182 -11.008 -3.124 1.00 0.00 N ATOM 476 CA SER A 32 -6.240 -10.782 -1.712 1.00 0.00 C ATOM 477 C SER A 32 -6.297 -9.296 -1.436 1.00 0.00 C ATOM 478 O SER A 32 -6.060 -8.472 -2.339 1.00 0.00 O ATOM 479 CB SER A 32 -5.022 -11.409 -1.039 1.00 0.00 C ATOM 480 OG SER A 32 -4.999 -12.814 -1.248 1.00 0.00 O ATOM 0 H SER A 32 -5.243 -10.947 -3.518 1.00 0.00 H new ATOM 0 HA SER A 32 -7.138 -11.246 -1.305 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.111 -10.962 -1.437 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.041 -11.196 0.030 1.00 0.00 H new ATOM 0 HG SER A 32 -4.331 -13.032 -1.931 1.00 0.00 H new ATOM 486 N GLU A 33 -6.597 -8.939 -0.211 1.00 0.00 N ATOM 487 CA GLU A 33 -6.704 -7.558 0.160 1.00 0.00 C ATOM 488 C GLU A 33 -6.304 -7.372 1.604 1.00 0.00 C ATOM 489 O GLU A 33 -6.305 -8.320 2.394 1.00 0.00 O ATOM 490 CB GLU A 33 -8.135 -7.063 -0.050 1.00 0.00 C ATOM 491 CG GLU A 33 -9.159 -7.744 0.838 1.00 0.00 C ATOM 492 CD GLU A 33 -10.560 -7.289 0.544 1.00 0.00 C ATOM 493 OE1 GLU A 33 -11.181 -7.850 -0.376 1.00 0.00 O ATOM 494 OE2 GLU A 33 -11.052 -6.371 1.234 1.00 0.00 O ATOM 0 H GLU A 33 -6.772 -9.596 0.549 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.032 -6.977 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.168 -5.989 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.413 -7.218 -1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.094 -8.824 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.924 -7.539 1.883 1.00 0.00 H new ATOM 501 N ILE A 34 -5.960 -6.161 1.954 1.00 0.00 N ATOM 502 CA ILE A 34 -5.598 -5.847 3.313 1.00 0.00 C ATOM 503 C ILE A 34 -6.348 -4.596 3.757 1.00 0.00 C ATOM 504 O ILE A 34 -6.572 -3.666 2.960 1.00 0.00 O ATOM 505 CB ILE A 34 -4.056 -5.640 3.479 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.652 -5.560 4.953 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.583 -4.415 2.741 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.446 -6.910 5.592 1.00 0.00 C ATOM 0 H ILE A 34 -5.922 -5.369 1.312 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.877 -6.693 3.941 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.571 -6.513 3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.732 -4.982 5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.421 -5.019 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.508 -4.301 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.805 -4.522 1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.094 -3.535 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.161 -6.779 6.636 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.371 -7.483 5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.656 -7.445 5.065 1.00 0.00 H new ATOM 520 N HIS A 35 -6.792 -4.597 4.997 1.00 0.00 N ATOM 521 CA HIS A 35 -7.466 -3.453 5.581 1.00 0.00 C ATOM 522 C HIS A 35 -6.544 -2.859 6.623 1.00 0.00 C ATOM 523 O HIS A 35 -5.908 -3.592 7.381 1.00 0.00 O ATOM 524 CB HIS A 35 -8.792 -3.871 6.250 1.00 0.00 C ATOM 525 CG HIS A 35 -9.733 -4.615 5.349 1.00 0.00 C ATOM 526 ND1 HIS A 35 -10.666 -5.521 5.809 1.00 0.00 N ATOM 527 CD2 HIS A 35 -9.882 -4.584 4.010 1.00 0.00 C ATOM 528 CE1 HIS A 35 -11.341 -6.010 4.788 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.884 -5.457 3.688 1.00 0.00 N ATOM 0 H HIS A 35 -6.696 -5.391 5.630 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.699 -2.729 4.800 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.568 -4.495 7.115 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.294 -2.978 6.622 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.314 -3.980 3.318 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.134 -6.741 4.846 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.222 -5.648 2.745 1.00 0.00 H new ATOM 538 N PHE A 36 -6.441 -1.555 6.671 1.00 0.00 N ATOM 539 CA PHE A 36 -5.537 -0.921 7.620 1.00 0.00 C ATOM 540 C PHE A 36 -6.025 0.435 8.021 1.00 0.00 C ATOM 541 O PHE A 36 -6.751 1.091 7.276 1.00 0.00 O ATOM 542 CB PHE A 36 -4.130 -0.793 7.018 1.00 0.00 C ATOM 543 CG PHE A 36 -4.125 -0.311 5.594 1.00 0.00 C ATOM 544 CD1 PHE A 36 -4.284 1.033 5.291 1.00 0.00 C ATOM 545 CD2 PHE A 36 -3.969 -1.210 4.559 1.00 0.00 C ATOM 546 CE1 PHE A 36 -4.285 1.464 3.985 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.970 -0.784 3.254 1.00 0.00 C ATOM 548 CZ PHE A 36 -4.130 0.555 2.964 1.00 0.00 C ATOM 0 H PHE A 36 -6.961 -0.911 6.075 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.502 -1.554 8.506 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.545 -0.105 7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.634 -1.762 7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.408 1.749 6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.845 -2.260 4.778 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.407 2.514 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.845 -1.498 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.134 0.889 1.937 1.00 0.00 H new HETATM 558 OH ALY A 37 -5.510 2.541 17.744 1.00 0.00 O HETATM 559 CH ALY A 37 -5.960 1.576 17.118 1.00 0.00 C HETATM 560 CH3 ALY A 37 -5.898 0.176 17.670 1.00 0.00 C HETATM 561 NZ ALY A 37 -6.508 1.708 15.920 1.00 0.00 N HETATM 562 CE ALY A 37 -5.803 1.462 14.672 1.00 0.00 C HETATM 563 CD ALY A 37 -6.640 1.858 13.472 1.00 0.00 C HETATM 564 CG ALY A 37 -5.876 1.671 12.178 1.00 0.00 C HETATM 565 CB ALY A 37 -6.678 2.189 10.994 1.00 0.00 C HETATM 566 CA ALY A 37 -5.935 2.187 9.642 1.00 0.00 C HETATM 567 N ALY A 37 -5.624 0.870 9.193 1.00 0.00 N HETATM 568 C ALY A 37 -4.657 2.992 9.706 1.00 0.00 C HETATM 569 O ALY A 37 -3.669 2.586 10.328 1.00 0.00 O HETATM 0 HH33 ALY A 37 -4.858 -0.103 17.838 1.00 0.00 H new HETATM 0 HH32 ALY A 37 -6.442 0.132 18.613 1.00 0.00 H new HETATM 0 HH31 ALY A 37 -6.349 -0.516 16.959 1.00 0.00 H new HETATM 0 HZ ALY A 37 -7.484 2.000 15.869 1.00 0.00 H new HETATM 0 HG3 ALY A 37 -5.649 0.615 12.034 1.00 0.00 H new HETATM 0 HG2 ALY A 37 -4.923 2.197 12.235 1.00 0.00 H new HETATM 0 HE3 ALY A 37 -5.543 0.406 14.602 1.00 0.00 H new HETATM 0 HE2 ALY A 37 -4.868 2.022 14.665 1.00 0.00 H new HETATM 0 HD3 ALY A 37 -6.946 2.900 13.568 1.00 0.00 H new HETATM 0 HD2 ALY A 37 -7.550 1.259 13.448 1.00 0.00 H new HETATM 0 HCA ALY A 37 -6.621 2.647 8.930 1.00 0.00 H new HETATM 0 HB3 ALY A 37 -6.999 3.208 11.212 1.00 0.00 H new HETATM 0 HB2 ALY A 37 -7.580 1.585 10.895 1.00 0.00 H new ATOM 584 N VAL A 38 -4.645 4.085 9.012 1.00 0.00 N ATOM 585 CA VAL A 38 -3.500 4.949 8.967 1.00 0.00 C ATOM 586 C VAL A 38 -3.893 6.339 9.411 1.00 0.00 C ATOM 587 O VAL A 38 -5.048 6.591 9.726 1.00 0.00 O ATOM 588 CB VAL A 38 -2.902 5.018 7.542 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.445 3.646 7.090 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.905 5.603 6.558 1.00 0.00 C ATOM 0 H VAL A 38 -5.435 4.409 8.454 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.744 4.541 9.638 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.035 5.678 7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.027 3.714 6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.684 3.272 7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.295 2.963 7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.460 5.641 5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.797 4.977 6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.177 6.611 6.872 1.00 0.00 H new ATOM 600 N LYS A 39 -2.954 7.244 9.418 1.00 0.00 N ATOM 601 CA LYS A 39 -3.236 8.602 9.807 1.00 0.00 C ATOM 602 C LYS A 39 -3.515 9.414 8.554 1.00 0.00 C ATOM 603 O LYS A 39 -3.147 8.998 7.453 1.00 0.00 O ATOM 604 CB LYS A 39 -2.050 9.200 10.569 1.00 0.00 C ATOM 605 CG LYS A 39 -2.383 10.486 11.313 1.00 0.00 C ATOM 606 CD LYS A 39 -1.142 11.160 11.870 1.00 0.00 C ATOM 607 CE LYS A 39 -0.372 10.252 12.817 1.00 0.00 C ATOM 608 NZ LYS A 39 0.856 10.904 13.330 1.00 0.00 N ATOM 0 H LYS A 39 -1.984 7.067 9.158 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.104 8.621 10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.680 8.464 11.283 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.241 9.397 9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.896 11.172 10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.072 10.265 12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.492 11.459 11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.430 12.070 12.396 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.012 9.974 13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.105 9.330 12.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.352 10.253 13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.479 11.147 12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.600 11.770 13.846 1.00 0.00 H new ATOM 622 N MET A 40 -4.181 10.564 8.699 1.00 0.00 N ATOM 623 CA MET A 40 -4.445 11.444 7.555 1.00 0.00 C ATOM 624 C MET A 40 -3.136 11.760 6.840 1.00 0.00 C ATOM 625 O MET A 40 -3.083 11.923 5.621 1.00 0.00 O ATOM 626 CB MET A 40 -5.135 12.735 8.013 1.00 0.00 C ATOM 627 CG MET A 40 -5.593 13.665 6.880 1.00 0.00 C ATOM 628 SD MET A 40 -6.904 12.957 5.839 1.00 0.00 S ATOM 629 CE MET A 40 -5.954 12.082 4.595 1.00 0.00 C ATOM 0 H MET A 40 -4.545 10.906 9.589 1.00 0.00 H new ATOM 0 HA MET A 40 -5.114 10.933 6.862 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.002 12.470 8.618 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.451 13.285 8.660 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.949 14.601 7.311 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.735 13.909 6.253 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.553 11.970 3.691 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.050 12.646 4.364 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.680 11.097 4.973 1.00 0.00 H new ATOM 639 N THR A 41 -2.072 11.847 7.608 1.00 0.00 N ATOM 640 CA THR A 41 -0.770 12.050 7.050 1.00 0.00 C ATOM 641 C THR A 41 0.194 11.005 7.604 1.00 0.00 C ATOM 642 O THR A 41 0.433 10.944 8.810 1.00 0.00 O ATOM 643 CB THR A 41 -0.270 13.467 7.387 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.147 13.610 8.812 1.00 0.00 O ATOM 645 CG2 THR A 41 -1.261 14.502 6.870 1.00 0.00 C ATOM 0 H THR A 41 -2.092 11.779 8.626 1.00 0.00 H new ATOM 0 HA THR A 41 -0.822 11.946 5.966 1.00 0.00 H new ATOM 0 HB THR A 41 0.700 13.621 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.098 12.747 9.207 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.902 15.502 7.112 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.360 14.403 5.789 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.232 14.342 7.339 1.00 0.00 H new ATOM 653 N THR A 42 0.733 10.175 6.725 1.00 0.00 N ATOM 654 CA THR A 42 1.674 9.135 7.107 1.00 0.00 C ATOM 655 C THR A 42 2.223 8.463 5.846 1.00 0.00 C ATOM 656 O THR A 42 1.738 8.721 4.742 1.00 0.00 O ATOM 657 CB THR A 42 0.999 8.071 8.022 1.00 0.00 C ATOM 658 OG1 THR A 42 1.989 7.232 8.633 1.00 0.00 O ATOM 659 CG2 THR A 42 0.035 7.202 7.230 1.00 0.00 C ATOM 0 H THR A 42 0.530 10.204 5.726 1.00 0.00 H new ATOM 0 HA THR A 42 2.488 9.593 7.669 1.00 0.00 H new ATOM 0 HB THR A 42 0.445 8.606 8.794 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.548 6.570 9.206 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.422 6.468 7.893 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.742 7.828 6.791 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.577 6.687 6.437 1.00 0.00 H new ATOM 667 N HIS A 43 3.212 7.603 5.996 1.00 0.00 N ATOM 668 CA HIS A 43 3.765 6.888 4.859 1.00 0.00 C ATOM 669 C HIS A 43 3.056 5.559 4.657 1.00 0.00 C ATOM 670 O HIS A 43 2.900 4.773 5.588 1.00 0.00 O ATOM 671 CB HIS A 43 5.273 6.672 5.009 1.00 0.00 C ATOM 672 CG HIS A 43 6.096 7.865 4.617 1.00 0.00 C ATOM 673 ND1 HIS A 43 7.467 7.905 4.728 1.00 0.00 N ATOM 674 CD2 HIS A 43 5.733 9.060 4.092 1.00 0.00 C ATOM 675 CE1 HIS A 43 7.909 9.066 4.289 1.00 0.00 C ATOM 676 NE2 HIS A 43 6.878 9.782 3.897 1.00 0.00 N ATOM 0 H HIS A 43 3.649 7.382 6.891 1.00 0.00 H new ATOM 0 HA HIS A 43 3.602 7.506 3.976 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.493 6.415 6.045 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.571 5.820 4.399 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.727 9.382 3.869 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.943 9.377 4.257 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.925 10.724 3.510 1.00 0.00 H new ATOM 685 N LEU A 44 2.625 5.314 3.433 1.00 0.00 N ATOM 686 CA LEU A 44 1.910 4.079 3.076 1.00 0.00 C ATOM 687 C LEU A 44 2.805 2.831 3.171 1.00 0.00 C ATOM 688 O LEU A 44 2.333 1.692 3.046 1.00 0.00 O ATOM 689 CB LEU A 44 1.303 4.198 1.678 1.00 0.00 C ATOM 690 CG LEU A 44 0.320 5.357 1.483 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.387 5.246 0.147 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.691 5.416 2.621 1.00 0.00 C ATOM 0 H LEU A 44 2.755 5.957 2.652 1.00 0.00 H new ATOM 0 HA LEU A 44 1.109 3.952 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.113 4.306 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.790 3.266 1.443 1.00 0.00 H new ATOM 0 HG LEU A 44 0.893 6.284 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.080 6.080 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.348 5.271 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.939 4.307 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.376 6.248 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.254 4.484 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.167 5.559 3.566 1.00 0.00 H new ATOM 704 N LYS A 45 4.092 3.037 3.377 1.00 0.00 N ATOM 705 CA LYS A 45 5.040 1.939 3.488 1.00 0.00 C ATOM 706 C LYS A 45 4.619 0.972 4.616 1.00 0.00 C ATOM 707 O LYS A 45 4.880 -0.232 4.552 1.00 0.00 O ATOM 708 CB LYS A 45 6.453 2.498 3.720 1.00 0.00 C ATOM 709 CG LYS A 45 7.586 1.523 3.408 1.00 0.00 C ATOM 710 CD LYS A 45 7.949 0.649 4.598 1.00 0.00 C ATOM 711 CE LYS A 45 8.548 1.470 5.731 1.00 0.00 C ATOM 712 NZ LYS A 45 9.006 0.610 6.850 1.00 0.00 N ATOM 0 H LYS A 45 4.510 3.963 3.472 1.00 0.00 H new ATOM 0 HA LYS A 45 5.046 1.370 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.581 3.390 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.538 2.811 4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.294 0.888 2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.466 2.083 3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.059 0.130 4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.660 -0.116 4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.388 2.053 5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.806 2.180 6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.543 1.184 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.182 0.190 7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.615 -0.147 6.479 1.00 0.00 H new ATOM 726 N LYS A 46 3.929 1.503 5.634 1.00 0.00 N ATOM 727 CA LYS A 46 3.440 0.689 6.745 1.00 0.00 C ATOM 728 C LYS A 46 2.459 -0.374 6.250 1.00 0.00 C ATOM 729 O LYS A 46 2.451 -1.508 6.736 1.00 0.00 O ATOM 730 CB LYS A 46 2.780 1.579 7.834 1.00 0.00 C ATOM 731 CG LYS A 46 1.506 2.313 7.387 1.00 0.00 C ATOM 732 CD LYS A 46 0.230 1.526 7.721 1.00 0.00 C ATOM 733 CE LYS A 46 -0.113 1.616 9.207 1.00 0.00 C ATOM 734 NZ LYS A 46 -1.413 0.972 9.537 1.00 0.00 N ATOM 0 H LYS A 46 3.699 2.494 5.707 1.00 0.00 H new ATOM 0 HA LYS A 46 4.295 0.182 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.539 0.955 8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.508 2.317 8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.464 3.290 7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.550 2.490 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.601 1.912 7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.362 0.481 7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.679 1.144 9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.145 2.664 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.104 1.702 9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.763 0.451 8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.282 0.312 10.330 1.00 0.00 H new ATOM 748 N LEU A 47 1.636 -0.017 5.264 1.00 0.00 N ATOM 749 CA LEU A 47 0.652 -0.944 4.741 1.00 0.00 C ATOM 750 C LEU A 47 1.323 -1.975 3.858 1.00 0.00 C ATOM 751 O LEU A 47 0.880 -3.114 3.779 1.00 0.00 O ATOM 752 CB LEU A 47 -0.481 -0.205 3.999 1.00 0.00 C ATOM 753 CG LEU A 47 -0.186 0.271 2.576 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.568 -0.788 1.554 1.00 0.00 C ATOM 755 CD2 LEU A 47 -0.904 1.569 2.292 1.00 0.00 C ATOM 0 H LEU A 47 1.636 0.901 4.819 1.00 0.00 H new ATOM 0 HA LEU A 47 0.190 -1.466 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.348 -0.865 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.766 0.663 4.594 1.00 0.00 H new ATOM 0 HG LEU A 47 0.887 0.444 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.347 -0.422 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.002 -1.698 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.633 -1.004 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.682 1.892 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.979 1.422 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.570 2.331 2.996 1.00 0.00 H new ATOM 767 N LYS A 48 2.412 -1.575 3.190 1.00 0.00 N ATOM 768 CA LYS A 48 3.180 -2.522 2.371 1.00 0.00 C ATOM 769 C LYS A 48 3.658 -3.684 3.221 1.00 0.00 C ATOM 770 O LYS A 48 3.428 -4.854 2.898 1.00 0.00 O ATOM 771 CB LYS A 48 4.393 -1.853 1.725 1.00 0.00 C ATOM 772 CG LYS A 48 4.149 -1.286 0.343 1.00 0.00 C ATOM 773 CD LYS A 48 3.273 -0.055 0.373 1.00 0.00 C ATOM 774 CE LYS A 48 3.212 0.595 -0.995 1.00 0.00 C ATOM 775 NZ LYS A 48 4.534 0.569 -1.679 1.00 0.00 N ATOM 0 H LYS A 48 2.776 -0.622 3.198 1.00 0.00 H new ATOM 0 HA LYS A 48 2.517 -2.880 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.735 -1.049 2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.202 -2.581 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.105 -1.038 -0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.681 -2.047 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.268 -0.326 0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.662 0.656 1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.474 0.079 -1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.876 1.627 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.507 1.193 -2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.271 0.899 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.749 -0.402 -1.982 1.00 0.00 H new ATOM 789 N GLU A 49 4.328 -3.358 4.317 1.00 0.00 N ATOM 790 CA GLU A 49 4.833 -4.366 5.235 1.00 0.00 C ATOM 791 C GLU A 49 3.705 -5.194 5.786 1.00 0.00 C ATOM 792 O GLU A 49 3.748 -6.413 5.759 1.00 0.00 O ATOM 793 CB GLU A 49 5.590 -3.710 6.374 1.00 0.00 C ATOM 794 CG GLU A 49 6.674 -2.778 5.902 1.00 0.00 C ATOM 795 CD GLU A 49 7.537 -2.269 7.028 1.00 0.00 C ATOM 796 OE1 GLU A 49 7.169 -1.249 7.652 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.589 -2.872 7.293 1.00 0.00 O ATOM 0 H GLU A 49 4.535 -2.398 4.592 1.00 0.00 H new ATOM 0 HA GLU A 49 5.511 -5.018 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.888 -3.156 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.032 -4.484 7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.300 -3.295 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.220 -1.931 5.387 1.00 0.00 H new ATOM 804 N SER A 50 2.675 -4.526 6.268 1.00 0.00 N ATOM 805 CA SER A 50 1.518 -5.199 6.837 1.00 0.00 C ATOM 806 C SER A 50 0.876 -6.159 5.813 1.00 0.00 C ATOM 807 O SER A 50 0.318 -7.196 6.174 1.00 0.00 O ATOM 808 CB SER A 50 0.503 -4.165 7.330 1.00 0.00 C ATOM 809 OG SER A 50 1.113 -3.249 8.240 1.00 0.00 O ATOM 0 H SER A 50 2.614 -3.508 6.278 1.00 0.00 H new ATOM 0 HA SER A 50 1.847 -5.798 7.686 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.090 -3.620 6.481 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.329 -4.671 7.819 1.00 0.00 H new ATOM 0 HG SER A 50 1.317 -2.412 7.774 1.00 0.00 H new ATOM 815 N TYR A 51 0.984 -5.825 4.533 1.00 0.00 N ATOM 816 CA TYR A 51 0.441 -6.668 3.472 1.00 0.00 C ATOM 817 C TYR A 51 1.320 -7.907 3.309 1.00 0.00 C ATOM 818 O TYR A 51 0.837 -9.045 3.329 1.00 0.00 O ATOM 819 CB TYR A 51 0.379 -5.886 2.143 1.00 0.00 C ATOM 820 CG TYR A 51 -0.510 -6.509 1.072 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.344 -7.825 0.669 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.511 -5.767 0.468 1.00 0.00 C ATOM 823 CE1 TYR A 51 -1.149 -8.386 -0.303 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.324 -6.322 -0.509 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.137 -7.630 -0.888 1.00 0.00 C ATOM 826 OH TYR A 51 -2.940 -8.183 -1.862 1.00 0.00 O ATOM 0 H TYR A 51 1.443 -4.976 4.203 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.570 -6.973 3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.022 -4.877 2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.390 -5.792 1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.431 -8.424 1.124 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.661 -4.739 0.763 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.003 -9.413 -0.602 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.100 -5.729 -0.970 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.881 -8.083 -1.606 1.00 0.00 H new ATOM 836 N CYS A 52 2.616 -7.680 3.154 1.00 0.00 N ATOM 837 CA CYS A 52 3.584 -8.757 2.979 1.00 0.00 C ATOM 838 C CYS A 52 3.627 -9.662 4.215 1.00 0.00 C ATOM 839 O CYS A 52 3.840 -10.864 4.114 1.00 0.00 O ATOM 840 CB CYS A 52 4.978 -8.172 2.685 1.00 0.00 C ATOM 841 SG CYS A 52 6.242 -9.391 2.263 1.00 0.00 S ATOM 0 H CYS A 52 3.027 -6.747 3.146 1.00 0.00 H new ATOM 0 HA CYS A 52 3.273 -9.366 2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.891 -7.461 1.863 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.312 -7.611 3.558 1.00 0.00 H new ATOM 0 HG CYS A 52 5.849 -10.087 1.238 1.00 0.00 H new ATOM 847 N GLN A 53 3.415 -9.078 5.376 1.00 0.00 N ATOM 848 CA GLN A 53 3.424 -9.812 6.634 1.00 0.00 C ATOM 849 C GLN A 53 2.169 -10.664 6.806 1.00 0.00 C ATOM 850 O GLN A 53 2.221 -11.765 7.340 1.00 0.00 O ATOM 851 CB GLN A 53 3.567 -8.839 7.799 1.00 0.00 C ATOM 852 CG GLN A 53 4.956 -8.238 7.910 1.00 0.00 C ATOM 853 CD GLN A 53 5.934 -9.180 8.579 1.00 0.00 C ATOM 854 OE1 GLN A 53 6.096 -9.157 9.797 1.00 0.00 O ATOM 855 NE2 GLN A 53 6.581 -10.021 7.798 1.00 0.00 N ATOM 0 H GLN A 53 3.231 -8.080 5.479 1.00 0.00 H new ATOM 0 HA GLN A 53 4.277 -10.490 6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.839 -8.036 7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.327 -9.357 8.728 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.321 -7.984 6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.904 -7.308 8.477 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.419 -10.009 6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.244 -10.684 8.200 1.00 0.00 H new ATOM 864 N ARG A 54 1.043 -10.154 6.345 1.00 0.00 N ATOM 865 CA ARG A 54 -0.229 -10.845 6.504 1.00 0.00 C ATOM 866 C ARG A 54 -0.446 -11.891 5.416 1.00 0.00 C ATOM 867 O ARG A 54 -0.796 -13.035 5.694 1.00 0.00 O ATOM 868 CB ARG A 54 -1.371 -9.835 6.486 1.00 0.00 C ATOM 869 CG ARG A 54 -2.751 -10.434 6.715 1.00 0.00 C ATOM 870 CD ARG A 54 -2.871 -11.047 8.099 1.00 0.00 C ATOM 871 NE ARG A 54 -4.222 -11.536 8.356 1.00 0.00 N ATOM 872 CZ ARG A 54 -4.644 -11.997 9.530 1.00 0.00 C ATOM 873 NH1 ARG A 54 -3.817 -12.050 10.568 1.00 0.00 N ATOM 874 NH2 ARG A 54 -5.893 -12.408 9.665 1.00 0.00 N ATOM 0 H ARG A 54 0.980 -9.261 5.856 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.208 -11.363 7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.185 -9.082 7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.368 -9.320 5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.509 -9.661 6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.947 -11.196 5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.162 -11.869 8.196 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.603 -10.304 8.851 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.887 -11.523 7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.852 -11.736 10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.147 -12.405 11.466 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.531 -12.371 8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.219 -12.762 10.564 1.00 0.00 H new ATOM 888 N GLN A 55 -0.245 -11.500 4.170 1.00 0.00 N ATOM 889 CA GLN A 55 -0.482 -12.396 3.045 1.00 0.00 C ATOM 890 C GLN A 55 0.742 -13.241 2.727 1.00 0.00 C ATOM 891 O GLN A 55 0.651 -14.237 2.014 1.00 0.00 O ATOM 892 CB GLN A 55 -0.914 -11.605 1.804 1.00 0.00 C ATOM 893 CG GLN A 55 -2.404 -11.263 1.763 1.00 0.00 C ATOM 894 CD GLN A 55 -2.842 -10.255 2.818 1.00 0.00 C ATOM 895 OE1 GLN A 55 -1.975 -9.319 3.153 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 -3.958 -10.308 3.307 1.00 0.00 N flip ATOM 0 H GLN A 55 0.081 -10.570 3.909 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.287 -13.071 3.334 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.339 -10.680 1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.661 -12.181 0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.648 -10.869 0.776 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.980 -12.180 1.891 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.604 -11.046 3.025 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.246 -9.615 3.998 1.00 0.00 H new ATOM 905 N GLY A 56 1.888 -12.853 3.267 1.00 0.00 N ATOM 906 CA GLY A 56 3.119 -13.596 3.026 1.00 0.00 C ATOM 907 C GLY A 56 3.542 -13.567 1.566 1.00 0.00 C ATOM 908 O GLY A 56 4.221 -14.472 1.083 1.00 0.00 O ATOM 0 H GLY A 56 1.993 -12.037 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.917 -13.179 3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.982 -14.631 3.341 1.00 0.00 H new ATOM 912 N VAL A 57 3.148 -12.525 0.854 1.00 0.00 N ATOM 913 CA VAL A 57 3.470 -12.398 -0.559 1.00 0.00 C ATOM 914 C VAL A 57 4.536 -11.330 -0.782 1.00 0.00 C ATOM 915 O VAL A 57 4.632 -10.369 -0.014 1.00 0.00 O ATOM 916 CB VAL A 57 2.215 -12.074 -1.408 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.252 -13.244 -1.404 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.525 -10.822 -0.899 1.00 0.00 C ATOM 0 H VAL A 57 2.602 -11.751 1.232 1.00 0.00 H new ATOM 0 HA VAL A 57 3.860 -13.362 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 57 2.539 -11.893 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.377 -12.997 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.744 -14.122 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.941 -13.456 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.647 -10.616 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.218 -10.971 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.213 -9.979 -0.956 1.00 0.00 H new ATOM 928 N PRO A 58 5.357 -11.492 -1.830 1.00 0.00 N ATOM 929 CA PRO A 58 6.437 -10.551 -2.152 1.00 0.00 C ATOM 930 C PRO A 58 5.906 -9.192 -2.611 1.00 0.00 C ATOM 931 O PRO A 58 5.404 -9.049 -3.716 1.00 0.00 O ATOM 932 CB PRO A 58 7.181 -11.246 -3.295 1.00 0.00 C ATOM 933 CG PRO A 58 6.163 -12.138 -3.915 1.00 0.00 C ATOM 934 CD PRO A 58 5.301 -12.615 -2.789 1.00 0.00 C ATOM 0 HA PRO A 58 7.062 -10.335 -1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.567 -10.524 -4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.034 -11.815 -2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.574 -11.602 -4.659 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.637 -12.976 -4.427 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.281 -12.815 -3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.682 -13.538 -2.352 1.00 0.00 H new ATOM 942 N MET A 59 6.028 -8.194 -1.754 1.00 0.00 N ATOM 943 CA MET A 59 5.540 -6.844 -2.049 1.00 0.00 C ATOM 944 C MET A 59 6.392 -6.120 -3.091 1.00 0.00 C ATOM 945 O MET A 59 6.045 -5.043 -3.547 1.00 0.00 O ATOM 946 CB MET A 59 5.409 -6.019 -0.767 1.00 0.00 C ATOM 947 CG MET A 59 4.115 -6.268 -0.002 1.00 0.00 C ATOM 948 SD MET A 59 2.639 -5.841 -0.936 1.00 0.00 S ATOM 949 CE MET A 59 2.171 -7.434 -1.606 1.00 0.00 C ATOM 0 H MET A 59 6.465 -8.288 -0.837 1.00 0.00 H new ATOM 0 HA MET A 59 4.549 -6.957 -2.489 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.254 -6.242 -0.115 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.472 -4.961 -1.020 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.065 -7.320 0.281 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.131 -5.690 0.922 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.447 -7.293 -2.408 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.054 -7.937 -1.999 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.727 -8.043 -0.819 1.00 0.00 H new ATOM 959 N ASN A 60 7.518 -6.703 -3.450 1.00 0.00 N ATOM 960 CA ASN A 60 8.414 -6.097 -4.441 1.00 0.00 C ATOM 961 C ASN A 60 8.007 -6.508 -5.857 1.00 0.00 C ATOM 962 O ASN A 60 8.148 -5.744 -6.812 1.00 0.00 O ATOM 963 CB ASN A 60 9.871 -6.513 -4.177 1.00 0.00 C ATOM 964 CG ASN A 60 10.451 -5.946 -2.879 1.00 0.00 C ATOM 965 OD1 ASN A 60 9.601 -5.691 -1.895 1.00 0.00 O flip ATOM 966 ND2 ASN A 60 11.657 -5.736 -2.774 1.00 0.00 N flip ATOM 0 H ASN A 60 7.843 -7.595 -3.077 1.00 0.00 H new ATOM 0 HA ASN A 60 8.334 -5.014 -4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.928 -7.601 -4.144 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.489 -6.186 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.281 -5.945 -3.553 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.034 -5.353 -1.907 1.00 0.00 H new ATOM 973 N SER A 61 7.530 -7.743 -5.985 1.00 0.00 N ATOM 974 CA SER A 61 7.077 -8.294 -7.264 1.00 0.00 C ATOM 975 C SER A 61 5.916 -7.490 -7.892 1.00 0.00 C ATOM 976 O SER A 61 5.630 -7.624 -9.076 1.00 0.00 O ATOM 977 CB SER A 61 6.682 -9.756 -7.082 1.00 0.00 C ATOM 978 OG SER A 61 7.761 -10.503 -6.528 1.00 0.00 O ATOM 0 H SER A 61 7.445 -8.394 -5.204 1.00 0.00 H new ATOM 0 HA SER A 61 7.911 -8.220 -7.962 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.812 -9.824 -6.429 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.393 -10.182 -8.043 1.00 0.00 H new ATOM 0 HG SER A 61 8.537 -10.449 -7.125 1.00 0.00 H new ATOM 984 N LEU A 62 5.239 -6.676 -7.104 1.00 0.00 N ATOM 985 CA LEU A 62 4.164 -5.850 -7.604 1.00 0.00 C ATOM 986 C LEU A 62 4.310 -4.403 -7.121 1.00 0.00 C ATOM 987 O LEU A 62 5.210 -4.086 -6.348 1.00 0.00 O ATOM 988 CB LEU A 62 2.780 -6.437 -7.229 1.00 0.00 C ATOM 989 CG LEU A 62 2.601 -7.076 -5.829 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.211 -8.464 -5.768 1.00 0.00 C ATOM 991 CD2 LEU A 62 3.156 -6.187 -4.725 1.00 0.00 C ATOM 0 H LEU A 62 5.420 -6.571 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 62 4.229 -5.842 -8.692 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.045 -5.638 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.528 -7.193 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 62 1.529 -7.175 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.067 -8.881 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.728 -9.106 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.277 -8.403 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.010 -6.672 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.221 -6.022 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.635 -5.230 -4.732 1.00 0.00 H new ATOM 1003 N ARG A 63 3.433 -3.521 -7.582 1.00 0.00 N ATOM 1004 CA ARG A 63 3.479 -2.120 -7.175 1.00 0.00 C ATOM 1005 C ARG A 63 2.118 -1.636 -6.714 1.00 0.00 C ATOM 1006 O ARG A 63 1.094 -2.260 -6.990 1.00 0.00 O ATOM 1007 CB ARG A 63 4.015 -1.204 -8.292 1.00 0.00 C ATOM 1008 CG ARG A 63 3.247 -1.264 -9.611 1.00 0.00 C ATOM 1009 CD ARG A 63 3.740 -2.401 -10.484 1.00 0.00 C ATOM 1010 NE ARG A 63 3.180 -2.354 -11.842 1.00 0.00 N ATOM 1011 CZ ARG A 63 3.735 -1.683 -12.865 1.00 0.00 C ATOM 1012 NH1 ARG A 63 4.805 -0.927 -12.671 1.00 0.00 N ATOM 1013 NH2 ARG A 63 3.203 -1.762 -14.080 1.00 0.00 N ATOM 0 H ARG A 63 2.683 -3.748 -8.235 1.00 0.00 H new ATOM 0 HA ARG A 63 4.175 -2.065 -6.338 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.005 -0.175 -7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.056 -1.464 -8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.183 -1.392 -9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.359 -0.319 -10.143 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.828 -2.364 -10.542 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.477 -3.351 -10.019 1.00 0.00 H new ATOM 0 HE ARG A 63 2.314 -2.864 -12.019 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.214 -0.851 -11.740 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.220 -0.421 -13.453 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.372 -2.333 -14.237 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.625 -1.252 -14.856 1.00 0.00 H new ATOM 1027 N PHE A 64 2.106 -0.497 -6.038 1.00 0.00 N ATOM 1028 CA PHE A 64 0.882 0.061 -5.487 1.00 0.00 C ATOM 1029 C PHE A 64 0.486 1.319 -6.224 1.00 0.00 C ATOM 1030 O PHE A 64 1.170 2.349 -6.150 1.00 0.00 O ATOM 1031 CB PHE A 64 1.049 0.357 -3.997 1.00 0.00 C ATOM 1032 CG PHE A 64 1.048 -0.867 -3.132 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.079 -1.790 -3.207 1.00 0.00 C ATOM 1034 CD2 PHE A 64 0.019 -1.092 -2.240 1.00 0.00 C ATOM 1035 CE1 PHE A 64 2.078 -2.910 -2.409 1.00 0.00 C ATOM 1036 CE2 PHE A 64 0.013 -2.212 -1.438 1.00 0.00 C ATOM 1037 CZ PHE A 64 1.042 -3.121 -1.522 1.00 0.00 C ATOM 0 H PHE A 64 2.939 0.063 -5.857 1.00 0.00 H new ATOM 0 HA PHE A 64 0.090 -0.677 -5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.984 0.896 -3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.244 1.018 -3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.892 -1.628 -3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.791 -0.381 -2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.886 -3.623 -2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.798 -2.376 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.039 -4.000 -0.894 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.609 1.240 -6.934 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.100 2.359 -7.697 1.00 0.00 C ATOM 1049 C LEU A 65 -2.518 2.695 -7.292 1.00 0.00 C ATOM 1050 O LEU A 65 -3.348 1.820 -7.076 1.00 0.00 O ATOM 1051 CB LEU A 65 -1.037 2.072 -9.201 1.00 0.00 C ATOM 1052 CG LEU A 65 0.287 1.496 -9.731 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.196 1.251 -11.226 1.00 0.00 C ATOM 1054 CD2 LEU A 65 1.451 2.424 -9.416 1.00 0.00 C ATOM 0 H LEU A 65 -1.185 0.401 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.459 3.215 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.837 1.375 -9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.245 2.999 -9.735 1.00 0.00 H new ATOM 0 HG LEU A 65 0.467 0.545 -9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.141 0.843 -11.586 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.606 0.542 -11.430 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.012 2.191 -11.737 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.375 1.993 -9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.280 3.394 -9.884 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.533 2.551 -8.337 1.00 0.00 H new ATOM 1066 N PHE A 66 -2.793 3.958 -7.177 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.113 4.414 -6.809 1.00 0.00 C ATOM 1068 C PHE A 66 -4.764 5.104 -7.981 1.00 0.00 C ATOM 1069 O PHE A 66 -4.456 6.246 -8.276 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.048 5.352 -5.596 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.337 6.067 -5.300 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.554 5.411 -5.407 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.330 7.399 -4.924 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.731 6.066 -5.150 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.509 8.064 -4.660 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.712 7.396 -4.772 1.00 0.00 C ATOM 0 H PHE A 66 -2.117 4.705 -7.333 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.715 3.549 -6.531 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.757 4.774 -4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.266 6.092 -5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.575 4.371 -5.696 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.390 7.924 -4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.672 5.544 -5.243 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.491 9.103 -4.367 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.638 7.912 -4.564 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.649 4.381 -8.670 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.389 4.890 -9.843 1.00 0.00 C ATOM 1088 C GLU A 67 -5.478 5.670 -10.821 1.00 0.00 C ATOM 1089 O GLU A 67 -5.895 6.646 -11.452 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.599 5.742 -9.403 1.00 0.00 C ATOM 1091 CG GLU A 67 -7.252 7.052 -8.719 1.00 0.00 C ATOM 1092 CD GLU A 67 -8.466 7.924 -8.510 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -9.222 7.684 -7.551 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -8.685 8.847 -9.321 1.00 0.00 O ATOM 0 H GLU A 67 -5.879 3.416 -8.433 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.762 4.023 -10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.209 5.959 -10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.214 5.149 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.785 6.845 -7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.519 7.591 -9.319 1.00 0.00 H new ATOM 1101 N GLY A 68 -4.245 5.209 -10.967 1.00 0.00 N ATOM 1102 CA GLY A 68 -3.296 5.863 -11.855 1.00 0.00 C ATOM 1103 C GLY A 68 -2.226 6.646 -11.105 1.00 0.00 C ATOM 1104 O GLY A 68 -1.374 7.295 -11.715 1.00 0.00 O ATOM 0 H GLY A 68 -3.879 4.388 -10.484 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.817 5.112 -12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.834 6.538 -12.520 1.00 0.00 H new ATOM 1108 N GLN A 69 -2.259 6.586 -9.782 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.275 7.252 -8.953 1.00 0.00 C ATOM 1110 C GLN A 69 -0.184 6.277 -8.580 1.00 0.00 C ATOM 1111 O GLN A 69 -0.434 5.097 -8.434 1.00 0.00 O ATOM 1112 CB GLN A 69 -1.933 7.814 -7.689 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.786 9.049 -7.930 1.00 0.00 C ATOM 1114 CD GLN A 69 -1.976 10.238 -8.416 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -0.725 10.316 -7.993 1.00 0.00 O flip ATOM 1116 NE2 GLN A 69 -2.466 11.076 -9.163 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.969 6.074 -9.257 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.842 8.080 -9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.554 7.039 -7.240 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.155 8.058 -6.965 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.556 8.815 -8.665 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.298 9.317 -7.006 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.435 10.983 -9.469 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.905 11.867 -9.480 1.00 0.00 H new ATOM 1125 N ARG A 70 1.022 6.767 -8.411 1.00 0.00 N ATOM 1126 CA ARG A 70 2.143 5.905 -8.087 1.00 0.00 C ATOM 1127 C ARG A 70 2.566 6.093 -6.643 1.00 0.00 C ATOM 1128 O ARG A 70 2.920 7.197 -6.211 1.00 0.00 O ATOM 1129 CB ARG A 70 3.334 6.106 -9.056 1.00 0.00 C ATOM 1130 CG ARG A 70 3.912 7.521 -9.119 1.00 0.00 C ATOM 1131 CD ARG A 70 3.082 8.438 -10.008 1.00 0.00 C ATOM 1132 NE ARG A 70 2.994 7.953 -11.381 1.00 0.00 N ATOM 1133 CZ ARG A 70 2.121 8.403 -12.282 1.00 0.00 C ATOM 1134 NH1 ARG A 70 1.291 9.400 -11.976 1.00 0.00 N ATOM 1135 NH2 ARG A 70 2.094 7.872 -13.497 1.00 0.00 N ATOM 0 H ARG A 70 1.256 7.757 -8.492 1.00 0.00 H new ATOM 0 HA ARG A 70 1.809 4.875 -8.212 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.131 5.421 -8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.014 5.820 -10.058 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.960 7.938 -8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.934 7.479 -9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.078 8.530 -9.593 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.521 9.436 -10.006 1.00 0.00 H new ATOM 0 HE ARG A 70 3.643 7.221 -11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.322 9.823 -11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.625 9.740 -12.670 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.740 7.121 -13.740 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.427 8.214 -14.189 1.00 0.00 H new ATOM 1149 N ILE A 71 2.495 5.027 -5.881 1.00 0.00 N ATOM 1150 CA ILE A 71 2.834 5.066 -4.478 1.00 0.00 C ATOM 1151 C ILE A 71 4.104 4.263 -4.205 1.00 0.00 C ATOM 1152 O ILE A 71 4.063 3.038 -4.014 1.00 0.00 O ATOM 1153 CB ILE A 71 1.675 4.518 -3.591 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.410 5.409 -3.686 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.124 4.395 -2.138 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.376 5.272 -4.985 1.00 0.00 C ATOM 0 H ILE A 71 2.201 4.109 -6.216 1.00 0.00 H new ATOM 0 HA ILE A 71 3.003 6.111 -4.219 1.00 0.00 H new ATOM 0 HB ILE A 71 1.416 3.529 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.250 5.168 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.707 6.451 -3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.302 4.011 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.970 3.711 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.421 5.375 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.242 5.933 -4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.262 5.543 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.710 4.241 -5.101 1.00 0.00 H new ATOM 1168 N ALA A 72 5.240 4.936 -4.182 1.00 0.00 N ATOM 1169 CA ALA A 72 6.487 4.256 -3.926 1.00 0.00 C ATOM 1170 C ALA A 72 6.928 4.444 -2.479 1.00 0.00 C ATOM 1171 O ALA A 72 7.820 5.228 -2.177 1.00 0.00 O ATOM 1172 CB ALA A 72 7.565 4.731 -4.887 1.00 0.00 C ATOM 0 H ALA A 72 5.321 5.941 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 72 6.329 3.190 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.497 4.206 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.255 4.525 -5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.717 5.803 -4.762 1.00 0.00 H new ATOM 1178 N ASP A 73 6.265 3.712 -1.592 1.00 0.00 N ATOM 1179 CA ASP A 73 6.584 3.636 -0.145 1.00 0.00 C ATOM 1180 C ASP A 73 6.780 4.994 0.557 1.00 0.00 C ATOM 1181 O ASP A 73 7.363 5.051 1.634 1.00 0.00 O ATOM 1182 CB ASP A 73 7.817 2.757 0.076 1.00 0.00 C ATOM 1183 CG ASP A 73 7.620 1.365 -0.465 1.00 0.00 C ATOM 1184 OD1 ASP A 73 6.630 0.714 -0.086 1.00 0.00 O ATOM 1185 OD2 ASP A 73 8.429 0.927 -1.304 1.00 0.00 O ATOM 0 H ASP A 73 5.466 3.134 -1.852 1.00 0.00 H new ATOM 0 HA ASP A 73 5.700 3.195 0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.680 3.215 -0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.039 2.704 1.142 1.00 0.00 H new ATOM 1190 N ASN A 74 6.262 6.080 -0.001 1.00 0.00 N ATOM 1191 CA ASN A 74 6.437 7.383 0.648 1.00 0.00 C ATOM 1192 C ASN A 74 5.257 8.301 0.401 1.00 0.00 C ATOM 1193 O ASN A 74 5.153 9.366 1.003 1.00 0.00 O ATOM 1194 CB ASN A 74 7.748 8.074 0.217 1.00 0.00 C ATOM 1195 CG ASN A 74 7.701 8.671 -1.179 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.293 9.813 -1.369 1.00 0.00 O ATOM 1197 ND2 ASN A 74 8.119 7.910 -2.160 1.00 0.00 N ATOM 0 H ASN A 74 5.733 6.094 -0.873 1.00 0.00 H new ATOM 0 HA ASN A 74 6.496 7.184 1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.982 8.863 0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.561 7.350 0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.112 8.262 -3.117 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.452 6.965 -1.967 1.00 0.00 H new ATOM 1204 N HIS A 75 4.355 7.896 -0.476 1.00 0.00 N ATOM 1205 CA HIS A 75 3.196 8.698 -0.766 1.00 0.00 C ATOM 1206 C HIS A 75 2.270 8.715 0.435 1.00 0.00 C ATOM 1207 O HIS A 75 2.200 7.748 1.198 1.00 0.00 O ATOM 1208 CB HIS A 75 2.466 8.176 -2.002 1.00 0.00 C ATOM 1209 CG HIS A 75 2.150 9.252 -2.993 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.485 9.178 -4.327 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.521 10.436 -2.836 1.00 0.00 C ATOM 1212 CE1 HIS A 75 2.079 10.269 -4.941 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.491 11.046 -4.059 1.00 0.00 N ATOM 0 H HIS A 75 4.409 7.019 -0.994 1.00 0.00 H new ATOM 0 HA HIS A 75 3.521 9.717 -0.977 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.079 7.414 -2.484 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.540 7.691 -1.693 1.00 0.00 H new ATOM 0 HD1 HIS A 75 2.972 8.399 -4.770 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.116 10.829 -1.915 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.207 10.488 -5.991 1.00 0.00 H new ATOM 1222 N THR A 76 1.573 9.808 0.613 1.00 0.00 N ATOM 1223 CA THR A 76 0.684 9.968 1.740 1.00 0.00 C ATOM 1224 C THR A 76 -0.766 10.036 1.277 1.00 0.00 C ATOM 1225 O THR A 76 -1.045 10.447 0.143 1.00 0.00 O ATOM 1226 CB THR A 76 1.031 11.244 2.533 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.923 12.388 1.684 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.442 11.159 3.081 1.00 0.00 C ATOM 0 H THR A 76 1.604 10.611 -0.016 1.00 0.00 H new ATOM 0 HA THR A 76 0.810 9.101 2.389 1.00 0.00 H new ATOM 0 HB THR A 76 0.331 11.336 3.363 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.143 13.196 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.671 12.067 3.638 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.524 10.297 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.147 11.051 2.256 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.712 9.644 2.149 1.00 0.00 N ATOM 1237 CA PRO A 77 -3.141 9.648 1.821 1.00 0.00 C ATOM 1238 C PRO A 77 -3.668 11.054 1.545 1.00 0.00 C ATOM 1239 O PRO A 77 -4.624 11.238 0.789 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.812 9.047 3.068 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.813 9.191 4.165 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.458 9.161 3.519 1.00 0.00 C ATOM 0 HA PRO A 77 -3.347 9.085 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.737 9.572 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.072 8.000 2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.964 10.125 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.915 8.383 4.890 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.750 9.802 4.044 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.038 8.155 3.517 1.00 0.00 H new ATOM 1250 N LYS A 78 -3.016 12.052 2.123 1.00 0.00 N ATOM 1251 CA LYS A 78 -3.437 13.439 1.950 1.00 0.00 C ATOM 1252 C LYS A 78 -2.950 13.970 0.612 1.00 0.00 C ATOM 1253 O LYS A 78 -3.584 14.823 -0.012 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.895 14.322 3.081 1.00 0.00 C ATOM 1255 CG LYS A 78 -1.380 14.382 3.142 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.903 15.721 3.666 1.00 0.00 C ATOM 1257 CE LYS A 78 0.600 15.735 3.852 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.085 17.064 4.297 1.00 0.00 N ATOM 0 H LYS A 78 -2.195 11.930 2.715 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.526 13.467 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.284 15.333 2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.273 13.949 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.008 13.584 3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.967 14.210 2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.193 16.510 2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.391 15.937 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.883 14.980 4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.085 15.466 2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.118 17.035 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.837 17.780 3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.641 17.310 5.205 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.826 13.443 0.160 1.00 0.00 N ATOM 1273 CA GLU A 79 -1.219 13.864 -1.080 1.00 0.00 C ATOM 1274 C GLU A 79 -1.954 13.235 -2.246 1.00 0.00 C ATOM 1275 O GLU A 79 -2.104 13.829 -3.305 1.00 0.00 O ATOM 1276 CB GLU A 79 0.238 13.429 -1.099 1.00 0.00 C ATOM 1277 CG GLU A 79 1.061 14.036 -2.213 1.00 0.00 C ATOM 1278 CD GLU A 79 1.399 15.478 -1.939 1.00 0.00 C ATOM 1279 OE1 GLU A 79 2.243 15.729 -1.055 1.00 0.00 O ATOM 1280 OE2 GLU A 79 0.821 16.366 -2.591 1.00 0.00 O ATOM 0 H GLU A 79 -1.311 12.710 0.647 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.276 14.949 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.694 13.690 -0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.278 12.343 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.981 13.465 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.511 13.964 -3.151 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.420 12.020 -2.036 1.00 0.00 N ATOM 1288 CA LEU A 80 -3.138 11.282 -3.060 1.00 0.00 C ATOM 1289 C LEU A 80 -4.552 11.801 -3.219 1.00 0.00 C ATOM 1290 O LEU A 80 -5.234 11.473 -4.186 1.00 0.00 O ATOM 1291 CB LEU A 80 -3.179 9.813 -2.690 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.833 9.116 -2.637 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -1.944 7.839 -1.845 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.332 8.830 -4.040 1.00 0.00 C ATOM 0 H LEU A 80 -2.313 11.517 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.615 11.415 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.658 9.715 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.810 9.292 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.116 9.772 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.973 7.345 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.269 8.067 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.671 7.179 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.365 8.330 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.045 8.188 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.226 9.767 -4.586 1.00 0.00 H new ATOM 1306 N GLY A 81 -5.006 12.611 -2.270 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.343 13.141 -2.368 1.00 0.00 C ATOM 1308 C GLY A 81 -7.396 12.118 -1.993 1.00 0.00 C ATOM 1309 O GLY A 81 -8.573 12.275 -2.329 1.00 0.00 O ATOM 0 H GLY A 81 -4.478 12.904 -1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.436 14.010 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.521 13.486 -3.387 1.00 0.00 H new ATOM 1313 N MET A 82 -6.999 11.066 -1.282 1.00 0.00 N ATOM 1314 CA MET A 82 -7.921 9.985 -0.986 1.00 0.00 C ATOM 1315 C MET A 82 -8.458 10.101 0.440 1.00 0.00 C ATOM 1316 O MET A 82 -7.994 10.932 1.232 1.00 0.00 O ATOM 1317 CB MET A 82 -7.274 8.614 -1.234 1.00 0.00 C ATOM 1318 CG MET A 82 -6.173 8.228 -0.262 1.00 0.00 C ATOM 1319 SD MET A 82 -5.347 6.703 -0.759 1.00 0.00 S ATOM 1320 CE MET A 82 -4.357 6.343 0.682 1.00 0.00 C ATOM 0 H MET A 82 -6.058 10.944 -0.907 1.00 0.00 H new ATOM 0 HA MET A 82 -8.767 10.071 -1.667 1.00 0.00 H new ATOM 0 HB2 MET A 82 -8.052 7.852 -1.196 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.864 8.602 -2.244 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.442 9.034 -0.201 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.595 8.105 0.735 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.169 5.271 0.735 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.408 6.875 0.614 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.889 6.663 1.578 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.432 9.271 0.767 1.00 0.00 N ATOM 1331 CA GLU A 83 -10.096 9.318 2.063 1.00 0.00 C ATOM 1332 C GLU A 83 -10.221 7.925 2.658 1.00 0.00 C ATOM 1333 O GLU A 83 -9.567 6.987 2.212 1.00 0.00 O ATOM 1334 CB GLU A 83 -11.479 9.945 1.900 1.00 0.00 C ATOM 1335 CG GLU A 83 -11.437 11.439 1.682 1.00 0.00 C ATOM 1336 CD GLU A 83 -12.722 11.983 1.114 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -13.718 12.072 1.859 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -12.740 12.339 -0.086 1.00 0.00 O ATOM 0 H GLU A 83 -9.787 8.545 0.144 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.497 9.924 2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.985 9.476 1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.074 9.731 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.226 11.934 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.616 11.680 1.007 1.00 0.00 H new ATOM 1345 N GLU A 84 -11.049 7.789 3.681 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.265 6.496 4.307 1.00 0.00 C ATOM 1347 C GLU A 84 -12.074 5.590 3.390 1.00 0.00 C ATOM 1348 O GLU A 84 -12.772 6.066 2.487 1.00 0.00 O ATOM 1349 CB GLU A 84 -11.956 6.650 5.660 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.321 7.302 5.599 1.00 0.00 C ATOM 1351 CD GLU A 84 -13.915 7.492 6.971 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.420 6.505 7.546 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -13.866 8.623 7.492 1.00 0.00 O ATOM 0 H GLU A 84 -11.581 8.555 4.094 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.292 6.035 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.058 5.665 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.315 7.239 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.240 8.268 5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.990 6.688 4.996 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.986 4.284 3.626 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.653 3.277 2.812 1.00 0.00 C ATOM 1362 C GLU A 85 -12.233 3.400 1.343 1.00 0.00 C ATOM 1363 O GLU A 85 -12.978 3.059 0.425 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.179 3.372 2.974 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.938 2.182 2.408 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.397 2.195 2.772 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -17.201 2.783 2.014 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.755 1.614 3.812 1.00 0.00 O ATOM 0 H GLU A 85 -11.444 3.893 4.396 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.345 2.291 3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.416 3.470 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.530 4.280 2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.839 2.177 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.485 1.261 2.774 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.022 3.876 1.117 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.519 4.018 -0.227 1.00 0.00 C ATOM 1377 C ASP A 86 -9.921 2.718 -0.697 1.00 0.00 C ATOM 1378 O ASP A 86 -9.623 1.831 0.113 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.490 5.126 -0.303 1.00 0.00 C ATOM 1380 CG ASP A 86 -9.902 6.207 -1.284 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -9.842 5.963 -2.505 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -10.318 7.302 -0.836 1.00 0.00 O ATOM 0 H ASP A 86 -10.374 4.169 1.848 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.352 4.281 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.353 5.564 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.528 4.710 -0.603 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.749 2.581 -1.992 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.201 1.369 -2.542 1.00 0.00 C ATOM 1389 C VAL A 87 -7.914 1.641 -3.316 1.00 0.00 C ATOM 1390 O VAL A 87 -7.821 2.579 -4.110 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.231 0.627 -3.447 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.642 1.479 -4.641 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.684 -0.721 -3.907 1.00 0.00 C ATOM 0 H VAL A 87 -9.982 3.296 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.964 0.719 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.123 0.446 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.361 0.930 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.097 2.404 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.763 1.713 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.422 -1.218 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.767 -0.567 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.471 -1.343 -3.038 1.00 0.00 H new ATOM 1403 N ILE A 88 -6.921 0.819 -3.069 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.657 0.925 -3.768 1.00 0.00 C ATOM 1405 C ILE A 88 -5.476 -0.310 -4.628 1.00 0.00 C ATOM 1406 O ILE A 88 -5.877 -1.416 -4.239 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.454 1.080 -2.809 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.696 2.224 -1.804 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.168 1.322 -3.597 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.828 3.586 -2.443 1.00 0.00 C ATOM 0 H ILE A 88 -6.963 0.064 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.685 1.826 -4.381 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.346 0.152 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.602 2.010 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.872 2.247 -1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.332 1.429 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.984 0.478 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.269 2.233 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.996 4.336 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.913 3.823 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.670 3.583 -3.135 1.00 0.00 H new ATOM 1422 N GLU A 89 -4.892 -0.140 -5.789 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.753 -1.218 -6.736 1.00 0.00 C ATOM 1424 C GLU A 89 -3.300 -1.661 -6.841 1.00 0.00 C ATOM 1425 O GLU A 89 -2.401 -0.856 -7.077 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.261 -0.752 -8.094 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.419 0.230 -7.993 1.00 0.00 C ATOM 1428 CD GLU A 89 -6.972 0.627 -9.339 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -6.345 1.464 -10.023 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -8.040 0.110 -9.717 1.00 0.00 O ATOM 0 H GLU A 89 -4.501 0.748 -6.103 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.340 -2.072 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.442 -0.284 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.577 -1.619 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.215 -0.215 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.086 1.123 -7.465 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.062 -2.935 -6.661 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.722 -3.467 -6.735 1.00 0.00 C ATOM 1439 C VAL A 90 -1.521 -4.233 -8.029 1.00 0.00 C ATOM 1440 O VAL A 90 -2.133 -5.281 -8.259 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.400 -4.370 -5.527 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.018 -4.970 -5.654 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.516 -3.587 -4.239 1.00 0.00 C ATOM 0 H VAL A 90 -3.783 -3.629 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.035 -2.621 -6.713 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.124 -5.184 -5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.185 -5.602 -4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.036 -5.569 -6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.722 -4.171 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.286 -4.238 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.814 -2.753 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.532 -3.205 -4.136 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.661 -3.712 -8.875 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.400 -4.305 -10.172 1.00 0.00 C ATOM 1455 C TYR A 91 0.856 -5.133 -10.145 1.00 0.00 C ATOM 1456 O TYR A 91 1.848 -4.750 -9.541 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.300 -3.224 -11.235 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.599 -2.488 -11.446 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -1.943 -1.415 -10.640 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.485 -2.872 -12.439 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.130 -0.746 -10.815 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.678 -2.205 -12.623 1.00 0.00 C ATOM 1463 CZ TYR A 91 -3.996 -1.142 -11.806 1.00 0.00 C ATOM 1464 OH TYR A 91 -5.188 -0.477 -11.979 1.00 0.00 O ATOM 0 H TYR A 91 -0.122 -2.867 -8.686 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.233 -4.964 -10.418 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.474 -2.511 -10.950 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.014 -3.675 -12.177 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.266 -1.099 -9.860 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.238 -3.706 -13.079 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.382 0.088 -10.176 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.359 -2.514 -13.403 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.274 0.223 -11.298 1.00 0.00 H new ATOM 1474 N GLN A 92 0.815 -6.257 -10.818 1.00 0.00 N ATOM 1475 CA GLN A 92 1.918 -7.193 -10.829 1.00 0.00 C ATOM 1476 C GLN A 92 2.957 -6.829 -11.887 1.00 0.00 C ATOM 1477 O GLN A 92 2.652 -6.752 -13.082 1.00 0.00 O ATOM 1478 CB GLN A 92 1.383 -8.602 -11.064 1.00 0.00 C ATOM 1479 CG GLN A 92 2.442 -9.690 -11.089 1.00 0.00 C ATOM 1480 CD GLN A 92 3.189 -9.809 -9.785 1.00 0.00 C ATOM 1481 OE1 GLN A 92 2.654 -9.519 -8.722 1.00 0.00 O ATOM 1482 NE2 GLN A 92 4.424 -10.246 -9.857 1.00 0.00 N ATOM 0 H GLN A 92 0.014 -6.552 -11.376 1.00 0.00 H new ATOM 0 HA GLN A 92 2.417 -7.149 -9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.660 -8.836 -10.282 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.844 -8.617 -12.011 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.970 -10.645 -11.320 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.151 -9.482 -11.891 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.831 -10.476 -10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.977 -10.355 -9.007 1.00 0.00 H new ATOM 1491 N GLU A 93 4.179 -6.600 -11.427 1.00 0.00 N ATOM 1492 CA GLU A 93 5.333 -6.289 -12.267 1.00 0.00 C ATOM 1493 C GLU A 93 6.524 -6.003 -11.380 1.00 0.00 C ATOM 1494 O GLU A 93 6.578 -4.984 -10.683 1.00 0.00 O ATOM 1495 CB GLU A 93 5.073 -5.114 -13.223 1.00 0.00 C ATOM 1496 CG GLU A 93 6.296 -4.723 -14.050 1.00 0.00 C ATOM 1497 CD GLU A 93 5.994 -3.703 -15.125 1.00 0.00 C ATOM 1498 OE1 GLU A 93 5.487 -4.094 -16.195 1.00 0.00 O ATOM 1499 OE2 GLU A 93 6.280 -2.508 -14.921 1.00 0.00 O ATOM 0 H GLU A 93 4.404 -6.626 -10.432 1.00 0.00 H new ATOM 0 HA GLU A 93 5.534 -7.155 -12.898 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.257 -5.377 -13.896 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.744 -4.251 -12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.062 -4.323 -13.385 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.712 -5.617 -14.515 1.00 0.00 H new ATOM 1506 N GLN A 94 7.477 -6.912 -11.396 1.00 0.00 N ATOM 1507 CA GLN A 94 8.646 -6.838 -10.521 1.00 0.00 C ATOM 1508 C GLN A 94 9.668 -5.820 -11.023 1.00 0.00 C ATOM 1509 O GLN A 94 10.831 -6.137 -11.274 1.00 0.00 O ATOM 1510 CB GLN A 94 9.278 -8.214 -10.367 1.00 0.00 C ATOM 1511 CG GLN A 94 10.300 -8.308 -9.243 1.00 0.00 C ATOM 1512 CD GLN A 94 10.749 -9.728 -8.983 1.00 0.00 C ATOM 1513 OE1 GLN A 94 10.147 -10.442 -8.177 1.00 0.00 O ATOM 1514 NE2 GLN A 94 11.807 -10.148 -9.649 1.00 0.00 N ATOM 0 H GLN A 94 7.470 -7.725 -12.012 1.00 0.00 H new ATOM 0 HA GLN A 94 8.309 -6.497 -9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.490 -8.946 -10.189 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.760 -8.487 -11.306 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.167 -7.697 -9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.871 -7.894 -8.331 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.276 -9.525 -10.307 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.156 -11.096 -9.506 1.00 0.00 H new ATOM 1523 N THR A 95 9.220 -4.608 -11.184 1.00 0.00 N ATOM 1524 CA THR A 95 10.071 -3.520 -11.597 1.00 0.00 C ATOM 1525 C THR A 95 10.338 -2.590 -10.405 1.00 0.00 C ATOM 1526 O THR A 95 11.156 -1.667 -10.481 1.00 0.00 O ATOM 1527 CB THR A 95 9.431 -2.725 -12.765 1.00 0.00 C ATOM 1528 OG1 THR A 95 10.352 -1.753 -13.277 1.00 0.00 O ATOM 1529 CG2 THR A 95 8.158 -2.028 -12.311 1.00 0.00 C ATOM 0 H THR A 95 8.247 -4.341 -11.032 1.00 0.00 H new ATOM 0 HA THR A 95 11.015 -3.934 -11.950 1.00 0.00 H new ATOM 0 HB THR A 95 9.183 -3.434 -13.555 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.979 -1.493 -12.570 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.727 -1.477 -13.147 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.442 -2.771 -11.959 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.391 -1.336 -11.502 1.00 0.00 H new ATOM 1537 N GLY A 96 9.638 -2.846 -9.296 1.00 0.00 N ATOM 1538 CA GLY A 96 9.811 -2.044 -8.096 1.00 0.00 C ATOM 1539 C GLY A 96 9.353 -0.615 -8.291 1.00 0.00 C ATOM 1540 O GLY A 96 10.057 0.330 -7.937 1.00 0.00 O ATOM 0 H GLY A 96 8.953 -3.597 -9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.251 -2.494 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.862 -2.050 -7.805 1.00 0.00 H new ATOM 1544 N GLY A 97 8.177 -0.453 -8.859 1.00 0.00 N ATOM 1545 CA GLY A 97 7.648 0.858 -9.119 1.00 0.00 C ATOM 1546 C GLY A 97 6.743 0.833 -10.315 1.00 0.00 C ATOM 1547 O GLY A 97 6.668 1.846 -11.043 1.00 0.00 O ATOM 1548 OXT GLY A 97 6.115 -0.213 -10.547 1.00 0.00 O ATOM 0 H GLY A 97 7.571 -1.220 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.099 1.214 -8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.465 1.559 -9.289 1.00 0.00 H new TER 1552 GLY A 97