USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 678 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 58 ASN : amide:sc= 0.0345 K(o=-0.58,f=-5.1!) USER MOD Set 1.2: A 77 SER OG : rot 130:sc= -0.612 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.386 X(o=-0.39,f=0.045) USER MOD Single : A 30 THR OG1 : rot -153:sc= -3.18! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 68:sc= 0.995 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0658 X(o=-0.066,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.211 K(o=0.21,f=-6.4!) USER MOD Single : A 65 MET CE :methyl -113:sc= -1.96 (180deg=-6.8!) USER MOD Single : A 67 HIS : no HE2:sc= -0.456 X(o=-0.46,f=-0.18) USER MOD Single : A 71 GLN : amide:sc= -0.439 K(o=-0.44,f=-1.9) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.1) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc=-0.00247 K(o=-0.0025,f=-0.58) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -2:sc= 1.15 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.0634 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.800 24.598 -1.064 1.00 0.00 N ATOM 2 CA GLY A 1 6.603 25.312 -0.654 1.00 0.00 C ATOM 3 C GLY A 1 5.571 24.354 -0.056 1.00 0.00 C ATOM 4 O GLY A 1 5.037 23.495 -0.755 1.00 0.00 O ATOM 0 H1 GLY A 1 8.484 25.270 -1.466 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.222 24.126 -0.239 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.551 23.886 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.864 26.075 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.171 25.828 -1.512 1.00 0.00 H new ATOM 8 N SER A 2 5.322 24.533 1.233 1.00 0.00 N ATOM 9 CA SER A 2 4.364 23.696 1.934 1.00 0.00 C ATOM 10 C SER A 2 3.365 24.568 2.696 1.00 0.00 C ATOM 11 O SER A 2 3.598 25.760 2.890 1.00 0.00 O ATOM 12 CB SER A 2 5.070 22.736 2.894 1.00 0.00 C ATOM 13 OG SER A 2 4.613 21.395 2.740 1.00 0.00 O ATOM 0 H SER A 2 5.768 25.246 1.810 1.00 0.00 H new ATOM 0 HA SER A 2 3.827 23.100 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.145 22.775 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.901 23.061 3.921 1.00 0.00 H new ATOM 0 HG SER A 2 5.089 20.813 3.369 1.00 0.00 H new ATOM 19 N SER A 3 2.273 23.940 3.107 1.00 0.00 N ATOM 20 CA SER A 3 1.237 24.645 3.844 1.00 0.00 C ATOM 21 C SER A 3 0.363 23.645 4.603 1.00 0.00 C ATOM 22 O SER A 3 0.238 23.727 5.824 1.00 0.00 O ATOM 23 CB SER A 3 0.378 25.496 2.907 1.00 0.00 C ATOM 24 OG SER A 3 0.153 26.803 3.429 1.00 0.00 O ATOM 0 H SER A 3 2.083 22.951 2.944 1.00 0.00 H new ATOM 0 HA SER A 3 1.719 25.313 4.558 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.867 25.573 1.936 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.579 25.001 2.743 1.00 0.00 H new ATOM 0 HG SER A 3 -0.398 27.316 2.801 1.00 0.00 H new ATOM 30 N GLY A 4 -0.219 22.724 3.849 1.00 0.00 N ATOM 31 CA GLY A 4 -1.078 21.710 4.436 1.00 0.00 C ATOM 32 C GLY A 4 -0.727 20.319 3.904 1.00 0.00 C ATOM 33 O GLY A 4 -1.209 19.914 2.847 1.00 0.00 O ATOM 0 H GLY A 4 -0.112 22.659 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.975 21.725 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.120 21.937 4.211 1.00 0.00 H new ATOM 37 N SER A 5 0.111 19.625 4.660 1.00 0.00 N ATOM 38 CA SER A 5 0.533 18.288 4.278 1.00 0.00 C ATOM 39 C SER A 5 -0.685 17.372 4.150 1.00 0.00 C ATOM 40 O SER A 5 -1.610 17.446 4.958 1.00 0.00 O ATOM 41 CB SER A 5 1.526 17.714 5.290 1.00 0.00 C ATOM 42 OG SER A 5 2.851 18.186 5.066 1.00 0.00 O ATOM 0 H SER A 5 0.509 19.964 5.536 1.00 0.00 H new ATOM 0 HA SER A 5 1.035 18.350 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.211 17.983 6.298 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.514 16.626 5.232 1.00 0.00 H new ATOM 0 HG SER A 5 3.454 17.798 5.734 1.00 0.00 H new ATOM 48 N SER A 6 -0.647 16.529 3.128 1.00 0.00 N ATOM 49 CA SER A 6 -1.736 15.599 2.884 1.00 0.00 C ATOM 50 C SER A 6 -1.178 14.231 2.487 1.00 0.00 C ATOM 51 O SER A 6 0.003 14.109 2.165 1.00 0.00 O ATOM 52 CB SER A 6 -2.675 16.125 1.796 1.00 0.00 C ATOM 53 OG SER A 6 -3.842 16.731 2.346 1.00 0.00 O ATOM 0 H SER A 6 0.121 16.471 2.460 1.00 0.00 H new ATOM 0 HA SER A 6 -2.311 15.496 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.145 16.851 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.967 15.304 1.141 1.00 0.00 H new ATOM 0 HG SER A 6 -4.415 17.056 1.620 1.00 0.00 H new ATOM 59 N GLY A 7 -2.053 13.237 2.525 1.00 0.00 N ATOM 60 CA GLY A 7 -1.661 11.882 2.173 1.00 0.00 C ATOM 61 C GLY A 7 -0.888 11.221 3.316 1.00 0.00 C ATOM 62 O GLY A 7 0.121 11.753 3.777 1.00 0.00 O ATOM 0 H GLY A 7 -3.031 13.342 2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.547 11.292 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.044 11.900 1.274 1.00 0.00 H new ATOM 66 N LEU A 8 -1.389 10.070 3.740 1.00 0.00 N ATOM 67 CA LEU A 8 -0.758 9.331 4.819 1.00 0.00 C ATOM 68 C LEU A 8 0.036 8.161 4.235 1.00 0.00 C ATOM 69 O LEU A 8 -0.246 7.707 3.127 1.00 0.00 O ATOM 70 CB LEU A 8 -1.798 8.909 5.860 1.00 0.00 C ATOM 71 CG LEU A 8 -1.726 7.454 6.328 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.327 7.298 7.726 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.386 6.519 5.313 1.00 0.00 C ATOM 0 H LEU A 8 -2.225 9.631 3.355 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.048 9.965 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.694 9.556 6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.790 9.088 5.446 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.676 7.168 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.263 6.255 8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.775 7.920 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.372 7.608 7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.321 5.491 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.433 6.795 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.874 6.603 4.354 1.00 0.00 H new ATOM 85 N THR A 9 1.014 7.708 5.005 1.00 0.00 N ATOM 86 CA THR A 9 1.851 6.600 4.577 1.00 0.00 C ATOM 87 C THR A 9 1.569 5.359 5.426 1.00 0.00 C ATOM 88 O THR A 9 0.998 5.461 6.511 1.00 0.00 O ATOM 89 CB THR A 9 3.310 7.058 4.637 1.00 0.00 C ATOM 90 OG1 THR A 9 3.345 8.215 3.805 1.00 0.00 O ATOM 91 CG2 THR A 9 4.261 6.076 3.951 1.00 0.00 C ATOM 0 H THR A 9 1.246 8.088 5.923 1.00 0.00 H new ATOM 0 HA THR A 9 1.628 6.310 3.550 1.00 0.00 H new ATOM 0 HB THR A 9 3.608 7.184 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.255 8.578 3.788 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.283 6.449 4.022 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.194 5.104 4.439 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.984 5.975 2.902 1.00 0.00 H new ATOM 99 N VAL A 10 1.982 4.215 4.901 1.00 0.00 N ATOM 100 CA VAL A 10 1.781 2.956 5.597 1.00 0.00 C ATOM 101 C VAL A 10 3.133 2.272 5.806 1.00 0.00 C ATOM 102 O VAL A 10 4.082 2.524 5.065 1.00 0.00 O ATOM 103 CB VAL A 10 0.784 2.086 4.828 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.318 0.903 5.679 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.407 2.915 4.344 1.00 0.00 C ATOM 0 H VAL A 10 2.455 4.134 4.001 1.00 0.00 H new ATOM 0 HA VAL A 10 1.349 3.130 6.582 1.00 0.00 H new ATOM 0 HB VAL A 10 1.294 1.688 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.390 0.301 5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.177 0.291 5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.166 1.273 6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.100 2.273 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.916 3.355 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.054 3.708 3.685 1.00 0.00 H new ATOM 115 N ASP A 11 3.178 1.419 6.819 1.00 0.00 N ATOM 116 CA ASP A 11 4.399 0.697 7.136 1.00 0.00 C ATOM 117 C ASP A 11 4.077 -0.789 7.309 1.00 0.00 C ATOM 118 O ASP A 11 3.798 -1.242 8.418 1.00 0.00 O ATOM 119 CB ASP A 11 5.015 1.202 8.442 1.00 0.00 C ATOM 120 CG ASP A 11 4.012 1.740 9.464 1.00 0.00 C ATOM 121 OD1 ASP A 11 3.328 0.899 10.085 1.00 0.00 O ATOM 122 OD2 ASP A 11 3.953 2.981 9.602 1.00 0.00 O ATOM 0 H ASP A 11 2.389 1.212 7.431 1.00 0.00 H new ATOM 0 HA ASP A 11 5.105 0.854 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.576 0.388 8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.731 1.990 8.208 1.00 0.00 H new ATOM 127 N VAL A 12 4.126 -1.506 6.196 1.00 0.00 N ATOM 128 CA VAL A 12 3.844 -2.931 6.210 1.00 0.00 C ATOM 129 C VAL A 12 5.062 -3.683 6.751 1.00 0.00 C ATOM 130 O VAL A 12 6.189 -3.429 6.330 1.00 0.00 O ATOM 131 CB VAL A 12 3.425 -3.396 4.814 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.857 -4.815 4.856 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.424 -2.422 4.188 1.00 0.00 C ATOM 0 H VAL A 12 4.357 -1.126 5.278 1.00 0.00 H new ATOM 0 HA VAL A 12 3.007 -3.148 6.874 1.00 0.00 H new ATOM 0 HB VAL A 12 4.315 -3.411 4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.567 -5.121 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.614 -5.499 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.984 -4.838 5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.143 -2.776 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.536 -2.360 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.880 -1.435 4.105 1.00 0.00 H new ATOM 143 N ALA A 13 4.793 -4.593 7.675 1.00 0.00 N ATOM 144 CA ALA A 13 5.853 -5.383 8.278 1.00 0.00 C ATOM 145 C ALA A 13 5.823 -6.797 7.694 1.00 0.00 C ATOM 146 O ALA A 13 5.073 -7.651 8.165 1.00 0.00 O ATOM 147 CB ALA A 13 5.693 -5.377 9.799 1.00 0.00 C ATOM 0 H ALA A 13 3.856 -4.801 8.021 1.00 0.00 H new ATOM 0 HA ALA A 13 6.829 -4.953 8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.488 -5.970 10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.750 -4.353 10.167 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.726 -5.804 10.065 1.00 0.00 H new ATOM 153 N GLY A 14 6.649 -7.001 6.678 1.00 0.00 N ATOM 154 CA GLY A 14 6.726 -8.297 6.026 1.00 0.00 C ATOM 155 C GLY A 14 7.043 -9.402 7.036 1.00 0.00 C ATOM 156 O GLY A 14 6.871 -9.215 8.240 1.00 0.00 O ATOM 0 H GLY A 14 7.270 -6.291 6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.781 -8.514 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.495 -8.274 5.254 1.00 0.00 H new ATOM 160 N PRO A 15 7.514 -10.558 6.496 1.00 0.00 N ATOM 161 CA PRO A 15 7.688 -10.695 5.060 1.00 0.00 C ATOM 162 C PRO A 15 6.340 -10.875 4.358 1.00 0.00 C ATOM 163 O PRO A 15 5.295 -10.556 4.923 1.00 0.00 O ATOM 164 CB PRO A 15 8.611 -11.891 4.889 1.00 0.00 C ATOM 165 CG PRO A 15 8.545 -12.659 6.199 1.00 0.00 C ATOM 166 CD PRO A 15 7.890 -11.759 7.234 1.00 0.00 C ATOM 0 HA PRO A 15 8.120 -9.805 4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.291 -12.515 4.054 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.631 -11.570 4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.972 -13.578 6.074 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.545 -12.948 6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.019 -12.238 7.681 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.577 -11.525 8.047 1.00 0.00 H new ATOM 174 N ALA A 16 6.408 -11.384 3.137 1.00 0.00 N ATOM 175 CA ALA A 16 5.206 -11.610 2.352 1.00 0.00 C ATOM 176 C ALA A 16 4.693 -13.028 2.609 1.00 0.00 C ATOM 177 O ALA A 16 5.408 -13.859 3.167 1.00 0.00 O ATOM 178 CB ALA A 16 5.507 -11.357 0.874 1.00 0.00 C ATOM 0 H ALA A 16 7.277 -11.647 2.672 1.00 0.00 H new ATOM 0 HA ALA A 16 4.418 -10.917 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.606 -11.526 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.839 -10.327 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.291 -12.037 0.541 1.00 0.00 H new ATOM 184 N PRO A 17 3.426 -13.268 2.179 1.00 0.00 N ATOM 185 CA PRO A 17 2.648 -12.228 1.527 1.00 0.00 C ATOM 186 C PRO A 17 2.145 -11.201 2.544 1.00 0.00 C ATOM 187 O PRO A 17 2.207 -11.435 3.750 1.00 0.00 O ATOM 188 CB PRO A 17 1.521 -12.964 0.821 1.00 0.00 C ATOM 189 CG PRO A 17 1.439 -14.332 1.480 1.00 0.00 C ATOM 190 CD PRO A 17 2.703 -14.530 2.301 1.00 0.00 C ATOM 0 HA PRO A 17 3.235 -11.648 0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.579 -12.425 0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.723 -13.056 -0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.556 -14.397 2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.347 -15.114 0.726 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.468 -14.753 3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.295 -15.363 1.922 1.00 0.00 H new ATOM 198 N TRP A 18 1.659 -10.086 2.019 1.00 0.00 N ATOM 199 CA TRP A 18 1.146 -9.022 2.866 1.00 0.00 C ATOM 200 C TRP A 18 -0.240 -9.439 3.361 1.00 0.00 C ATOM 201 O TRP A 18 -0.439 -9.649 4.557 1.00 0.00 O ATOM 202 CB TRP A 18 1.138 -7.685 2.122 1.00 0.00 C ATOM 203 CG TRP A 18 2.400 -7.424 1.298 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.533 -7.440 -0.035 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.711 -7.105 1.811 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.828 -7.156 -0.418 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.567 -6.945 0.740 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.159 -6.956 3.135 1.00 0.00 C ATOM 209 CZ2 TRP A 18 5.923 -6.629 0.884 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.517 -6.640 3.262 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.392 -6.476 2.194 1.00 0.00 C ATOM 0 H TRP A 18 1.609 -9.896 1.018 1.00 0.00 H new ATOM 0 HA TRP A 18 1.793 -8.870 3.730 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.272 -7.654 1.461 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.016 -6.879 2.846 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.728 -7.649 -0.724 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.178 -7.109 -1.375 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.507 -7.076 3.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.573 -6.510 0.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.912 -6.515 4.259 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.428 -6.232 2.374 1.00 0.00 H new ATOM 222 N GLY A 19 -1.163 -9.546 2.417 1.00 0.00 N ATOM 223 CA GLY A 19 -2.525 -9.934 2.742 1.00 0.00 C ATOM 224 C GLY A 19 -3.518 -8.844 2.336 1.00 0.00 C ATOM 225 O GLY A 19 -4.508 -8.611 3.028 1.00 0.00 O ATOM 0 H GLY A 19 -0.994 -9.371 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.773 -10.865 2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.607 -10.125 3.812 1.00 0.00 H new ATOM 229 N PHE A 20 -3.219 -8.204 1.215 1.00 0.00 N ATOM 230 CA PHE A 20 -4.073 -7.143 0.708 1.00 0.00 C ATOM 231 C PHE A 20 -4.116 -7.158 -0.822 1.00 0.00 C ATOM 232 O PHE A 20 -3.156 -7.572 -1.469 1.00 0.00 O ATOM 233 CB PHE A 20 -3.467 -5.818 1.176 1.00 0.00 C ATOM 234 CG PHE A 20 -2.210 -5.403 0.409 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.321 -4.807 -0.808 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.980 -5.631 0.945 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.155 -4.422 -1.520 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.186 -5.245 0.233 1.00 0.00 C ATOM 239 CZ PHE A 20 0.075 -4.649 -0.984 1.00 0.00 C ATOM 0 H PHE A 20 -2.397 -8.400 0.643 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.090 -7.277 1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.216 -5.033 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.224 -5.896 2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.297 -4.626 -1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.891 -6.105 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.244 -3.949 -2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.162 -5.425 0.658 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.963 -4.356 -1.525 1.00 0.00 H new ATOM 249 N ARG A 21 -5.240 -6.701 -1.355 1.00 0.00 N ATOM 250 CA ARG A 21 -5.421 -6.656 -2.796 1.00 0.00 C ATOM 251 C ARG A 21 -5.529 -5.207 -3.272 1.00 0.00 C ATOM 252 O ARG A 21 -5.640 -4.289 -2.461 1.00 0.00 O ATOM 253 CB ARG A 21 -6.678 -7.420 -3.217 1.00 0.00 C ATOM 254 CG ARG A 21 -6.446 -8.931 -3.159 1.00 0.00 C ATOM 255 CD ARG A 21 -7.559 -9.685 -3.890 1.00 0.00 C ATOM 256 NE ARG A 21 -6.981 -10.775 -4.707 1.00 0.00 N ATOM 257 CZ ARG A 21 -7.697 -11.571 -5.512 1.00 0.00 C ATOM 258 NH1 ARG A 21 -9.022 -11.404 -5.613 1.00 0.00 N ATOM 259 NH2 ARG A 21 -7.087 -12.535 -6.216 1.00 0.00 N ATOM 0 H ARG A 21 -6.034 -6.359 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.552 -7.128 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.508 -7.150 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.962 -7.131 -4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.483 -9.172 -3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.403 -9.256 -2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.266 -10.096 -3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.117 -8.999 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.974 -10.930 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.486 -10.671 -5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.567 -12.010 -6.226 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.078 -12.662 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.632 -13.141 -6.829 1.00 0.00 H new ATOM 273 N ILE A 22 -5.494 -5.045 -4.587 1.00 0.00 N ATOM 274 CA ILE A 22 -5.588 -3.723 -5.181 1.00 0.00 C ATOM 275 C ILE A 22 -6.475 -3.789 -6.426 1.00 0.00 C ATOM 276 O ILE A 22 -6.789 -4.875 -6.912 1.00 0.00 O ATOM 277 CB ILE A 22 -4.192 -3.157 -5.451 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.391 -4.085 -6.367 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.455 -2.869 -4.142 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.275 -3.320 -7.082 1.00 0.00 C ATOM 0 H ILE A 22 -5.402 -5.808 -5.257 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.062 -3.027 -4.488 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.304 -2.207 -5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.962 -4.898 -5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.056 -4.538 -7.103 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.466 -2.468 -4.362 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.020 -2.142 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.353 -3.792 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.721 -4.003 -7.727 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.709 -2.523 -7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.599 -2.889 -6.344 1.00 0.00 H new ATOM 292 N SER A 23 -6.855 -2.614 -6.906 1.00 0.00 N ATOM 293 CA SER A 23 -7.700 -2.525 -8.085 1.00 0.00 C ATOM 294 C SER A 23 -7.257 -1.351 -8.959 1.00 0.00 C ATOM 295 O SER A 23 -6.290 -0.662 -8.637 1.00 0.00 O ATOM 296 CB SER A 23 -9.172 -2.372 -7.697 1.00 0.00 C ATOM 297 OG SER A 23 -10.018 -3.220 -8.468 1.00 0.00 O ATOM 0 H SER A 23 -6.593 -1.716 -6.500 1.00 0.00 H new ATOM 0 HA SER A 23 -7.596 -3.451 -8.651 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.294 -2.603 -6.639 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.477 -1.334 -7.834 1.00 0.00 H new ATOM 0 HG SER A 23 -10.949 -3.094 -8.189 1.00 0.00 H new ATOM 303 N GLY A 24 -7.985 -1.158 -10.049 1.00 0.00 N ATOM 304 CA GLY A 24 -7.679 -0.078 -10.972 1.00 0.00 C ATOM 305 C GLY A 24 -6.232 -0.168 -11.461 1.00 0.00 C ATOM 306 O GLY A 24 -5.764 -1.245 -11.828 1.00 0.00 O ATOM 0 H GLY A 24 -8.786 -1.731 -10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.358 -0.120 -11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.842 0.882 -10.481 1.00 0.00 H new ATOM 310 N GLY A 25 -5.565 0.976 -11.451 1.00 0.00 N ATOM 311 CA GLY A 25 -4.181 1.040 -11.890 1.00 0.00 C ATOM 312 C GLY A 25 -4.063 1.770 -13.229 1.00 0.00 C ATOM 313 O GLY A 25 -5.051 1.924 -13.945 1.00 0.00 O ATOM 0 H GLY A 25 -5.957 1.867 -11.146 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.581 1.553 -11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.779 0.031 -11.985 1.00 0.00 H new ATOM 317 N ARG A 26 -2.846 2.201 -13.526 1.00 0.00 N ATOM 318 CA ARG A 26 -2.586 2.912 -14.767 1.00 0.00 C ATOM 319 C ARG A 26 -3.179 2.146 -15.951 1.00 0.00 C ATOM 320 O ARG A 26 -3.639 2.752 -16.918 1.00 0.00 O ATOM 321 CB ARG A 26 -1.084 3.099 -14.990 1.00 0.00 C ATOM 322 CG ARG A 26 -0.807 3.734 -16.354 1.00 0.00 C ATOM 323 CD ARG A 26 -1.124 5.231 -16.335 1.00 0.00 C ATOM 324 NE ARG A 26 0.025 5.998 -16.866 1.00 0.00 N ATOM 325 CZ ARG A 26 0.046 7.332 -16.989 1.00 0.00 C ATOM 326 NH1 ARG A 26 -1.020 8.055 -16.619 1.00 0.00 N ATOM 327 NH2 ARG A 26 1.132 7.943 -17.481 1.00 0.00 N ATOM 0 H ARG A 26 -2.029 2.072 -12.929 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.055 3.893 -14.692 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.671 3.728 -14.201 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.580 2.135 -14.925 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.238 3.583 -16.624 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.408 3.241 -17.118 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.013 5.431 -16.933 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.346 5.551 -15.317 1.00 0.00 H new ATOM 0 HE ARG A 26 0.853 5.478 -17.157 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.847 7.590 -16.244 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.005 9.071 -16.712 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.943 7.393 -17.762 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.147 8.959 -17.574 1.00 0.00 H new ATOM 341 N ASP A 27 -3.149 0.827 -15.837 1.00 0.00 N ATOM 342 CA ASP A 27 -3.678 -0.028 -16.886 1.00 0.00 C ATOM 343 C ASP A 27 -5.168 0.266 -17.074 1.00 0.00 C ATOM 344 O ASP A 27 -5.623 0.496 -18.194 1.00 0.00 O ATOM 345 CB ASP A 27 -3.530 -1.506 -16.521 1.00 0.00 C ATOM 346 CG ASP A 27 -3.199 -2.432 -17.693 1.00 0.00 C ATOM 347 OD1 ASP A 27 -3.386 -1.980 -18.843 1.00 0.00 O ATOM 348 OD2 ASP A 27 -2.766 -3.570 -17.411 1.00 0.00 O ATOM 0 H ASP A 27 -2.766 0.329 -15.034 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.119 0.175 -17.799 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.747 -1.602 -15.769 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.458 -1.845 -16.060 1.00 0.00 H new ATOM 353 N PHE A 28 -5.887 0.248 -15.962 1.00 0.00 N ATOM 354 CA PHE A 28 -7.316 0.509 -15.990 1.00 0.00 C ATOM 355 C PHE A 28 -7.600 2.011 -15.925 1.00 0.00 C ATOM 356 O PHE A 28 -8.749 2.423 -15.767 1.00 0.00 O ATOM 357 CB PHE A 28 -7.918 -0.166 -14.755 1.00 0.00 C ATOM 358 CG PHE A 28 -7.943 -1.694 -14.831 1.00 0.00 C ATOM 359 CD1 PHE A 28 -6.868 -2.413 -14.410 1.00 0.00 C ATOM 360 CD2 PHE A 28 -9.039 -2.333 -15.320 1.00 0.00 C ATOM 361 CE1 PHE A 28 -6.890 -3.831 -14.480 1.00 0.00 C ATOM 362 CE2 PHE A 28 -9.061 -3.751 -15.391 1.00 0.00 C ATOM 363 CZ PHE A 28 -7.986 -4.470 -14.969 1.00 0.00 C ATOM 0 H PHE A 28 -5.507 0.057 -15.035 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.747 0.125 -16.915 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.349 0.135 -13.876 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.936 0.197 -14.615 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.997 -1.905 -14.022 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -9.893 -1.762 -15.654 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.037 -4.402 -14.145 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.931 -4.259 -15.780 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.003 -5.549 -15.022 1.00 0.00 H new ATOM 373 N HIS A 29 -6.535 2.788 -16.050 1.00 0.00 N ATOM 374 CA HIS A 29 -6.655 4.236 -16.008 1.00 0.00 C ATOM 375 C HIS A 29 -7.324 4.657 -14.698 1.00 0.00 C ATOM 376 O HIS A 29 -8.054 5.647 -14.659 1.00 0.00 O ATOM 377 CB HIS A 29 -7.392 4.756 -17.243 1.00 0.00 C ATOM 378 CG HIS A 29 -6.607 4.626 -18.527 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.611 5.599 -19.510 1.00 0.00 N ATOM 380 CD2 HIS A 29 -5.793 3.628 -18.976 1.00 0.00 C ATOM 381 CE1 HIS A 29 -5.832 5.194 -20.503 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.326 3.972 -20.170 1.00 0.00 N ATOM 0 H HIS A 29 -5.584 2.443 -16.180 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.663 4.688 -16.031 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.332 4.214 -17.347 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.644 5.805 -17.088 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.567 2.713 -18.449 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.633 5.736 -21.415 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.693 3.414 -20.744 1.00 0.00 H new ATOM 390 N THR A 30 -7.052 3.884 -13.656 1.00 0.00 N ATOM 391 CA THR A 30 -7.619 4.165 -12.348 1.00 0.00 C ATOM 392 C THR A 30 -6.529 4.120 -11.274 1.00 0.00 C ATOM 393 O THR A 30 -5.474 3.524 -11.481 1.00 0.00 O ATOM 394 CB THR A 30 -8.756 3.171 -12.102 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.257 1.939 -12.616 1.00 0.00 O ATOM 396 CG2 THR A 30 -9.985 3.463 -12.964 1.00 0.00 C ATOM 0 H THR A 30 -6.447 3.064 -13.691 1.00 0.00 H new ATOM 0 HA THR A 30 -8.034 5.172 -12.304 1.00 0.00 H new ATOM 0 HB THR A 30 -9.037 3.194 -11.049 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.007 1.374 -12.898 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.762 2.729 -12.751 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.358 4.462 -12.739 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.712 3.406 -14.018 1.00 0.00 H new ATOM 404 N PRO A 31 -6.831 4.775 -10.122 1.00 0.00 N ATOM 405 CA PRO A 31 -5.890 4.815 -9.015 1.00 0.00 C ATOM 406 C PRO A 31 -5.848 3.473 -8.282 1.00 0.00 C ATOM 407 O PRO A 31 -6.875 2.813 -8.128 1.00 0.00 O ATOM 408 CB PRO A 31 -6.368 5.958 -8.134 1.00 0.00 C ATOM 409 CG PRO A 31 -7.813 6.213 -8.529 1.00 0.00 C ATOM 410 CD PRO A 31 -8.072 5.492 -9.842 1.00 0.00 C ATOM 0 HA PRO A 31 -4.864 4.983 -9.341 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.292 5.696 -7.079 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.759 6.849 -8.286 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.490 5.851 -7.755 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.996 7.282 -8.638 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.915 4.806 -9.758 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.312 6.195 -10.639 1.00 0.00 H new ATOM 418 N ILE A 32 -4.650 3.109 -7.850 1.00 0.00 N ATOM 419 CA ILE A 32 -4.460 1.857 -7.136 1.00 0.00 C ATOM 420 C ILE A 32 -5.178 1.930 -5.787 1.00 0.00 C ATOM 421 O ILE A 32 -4.700 2.583 -4.860 1.00 0.00 O ATOM 422 CB ILE A 32 -2.971 1.524 -7.024 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.318 1.458 -8.406 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.755 0.237 -6.226 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.337 0.029 -8.953 1.00 0.00 C ATOM 0 H ILE A 32 -3.801 3.659 -7.980 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.906 1.031 -7.690 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.482 2.329 -6.475 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.844 2.121 -9.093 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.290 1.814 -8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.688 0.024 -6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.162 0.359 -5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.261 -0.590 -6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.867 0.010 -9.936 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.790 -0.627 -8.276 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.368 -0.315 -9.037 1.00 0.00 H new ATOM 437 N ILE A 33 -6.313 1.251 -5.719 1.00 0.00 N ATOM 438 CA ILE A 33 -7.101 1.231 -4.498 1.00 0.00 C ATOM 439 C ILE A 33 -7.132 -0.193 -3.940 1.00 0.00 C ATOM 440 O ILE A 33 -7.129 -1.161 -4.699 1.00 0.00 O ATOM 441 CB ILE A 33 -8.489 1.825 -4.747 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.404 3.331 -4.999 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.443 1.489 -3.598 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.242 3.732 -6.215 1.00 0.00 C ATOM 0 H ILE A 33 -6.706 0.710 -6.489 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.642 1.862 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.898 1.370 -5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.753 3.871 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.365 3.619 -5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.422 1.923 -3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.537 0.407 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.050 1.898 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.164 4.808 -6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.875 3.209 -7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.285 3.465 -6.042 1.00 0.00 H new ATOM 456 N VAL A 34 -7.162 -0.276 -2.618 1.00 0.00 N ATOM 457 CA VAL A 34 -7.193 -1.565 -1.949 1.00 0.00 C ATOM 458 C VAL A 34 -8.630 -2.091 -1.933 1.00 0.00 C ATOM 459 O VAL A 34 -9.564 -1.348 -1.635 1.00 0.00 O ATOM 460 CB VAL A 34 -6.585 -1.444 -0.550 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.635 -2.784 0.187 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.153 -0.909 -0.619 1.00 0.00 C ATOM 0 H VAL A 34 -7.165 0.529 -1.992 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.586 -2.291 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.183 -0.729 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.197 -2.670 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.671 -3.108 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.073 -3.530 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.744 -0.833 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.539 -1.589 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.155 0.076 -1.085 1.00 0.00 H new ATOM 472 N THR A 35 -8.762 -3.369 -2.257 1.00 0.00 N ATOM 473 CA THR A 35 -10.069 -4.004 -2.284 1.00 0.00 C ATOM 474 C THR A 35 -10.285 -4.834 -1.017 1.00 0.00 C ATOM 475 O THR A 35 -11.322 -4.721 -0.366 1.00 0.00 O ATOM 476 CB THR A 35 -10.171 -4.823 -3.572 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.961 -5.576 -3.601 1.00 0.00 O ATOM 478 CG2 THR A 35 -10.098 -3.952 -4.828 1.00 0.00 C ATOM 0 H THR A 35 -7.985 -3.982 -2.503 1.00 0.00 H new ATOM 0 HA THR A 35 -10.868 -3.263 -2.289 1.00 0.00 H new ATOM 0 HB THR A 35 -11.106 -5.383 -3.573 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.944 -6.138 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.175 -4.583 -5.713 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.918 -3.234 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.148 -3.417 -4.845 1.00 0.00 H new ATOM 486 N LYS A 36 -9.287 -5.648 -0.705 1.00 0.00 N ATOM 487 CA LYS A 36 -9.355 -6.497 0.473 1.00 0.00 C ATOM 488 C LYS A 36 -8.166 -6.191 1.385 1.00 0.00 C ATOM 489 O LYS A 36 -7.115 -5.756 0.917 1.00 0.00 O ATOM 490 CB LYS A 36 -9.458 -7.969 0.068 1.00 0.00 C ATOM 491 CG LYS A 36 -10.532 -8.689 0.885 1.00 0.00 C ATOM 492 CD LYS A 36 -10.027 -10.046 1.378 1.00 0.00 C ATOM 493 CE LYS A 36 -10.901 -10.576 2.517 1.00 0.00 C ATOM 494 NZ LYS A 36 -10.489 -11.947 2.892 1.00 0.00 N ATOM 0 H LYS A 36 -8.427 -5.738 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.259 -6.285 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.694 -8.042 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.495 -8.458 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.820 -8.073 1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.425 -8.829 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.026 -10.759 0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.996 -9.952 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.821 -9.917 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.947 -10.575 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.092 -12.291 3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.588 -12.576 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.497 -11.938 3.204 1.00 0.00 H new ATOM 508 N VAL A 37 -8.370 -6.432 2.672 1.00 0.00 N ATOM 509 CA VAL A 37 -7.328 -6.189 3.654 1.00 0.00 C ATOM 510 C VAL A 37 -7.360 -7.295 4.711 1.00 0.00 C ATOM 511 O VAL A 37 -8.156 -7.242 5.646 1.00 0.00 O ATOM 512 CB VAL A 37 -7.487 -4.788 4.250 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.620 -4.623 5.500 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.165 -3.711 3.212 1.00 0.00 C ATOM 0 H VAL A 37 -9.243 -6.793 3.057 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.346 -6.218 3.183 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.529 -4.666 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.751 -3.619 5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.918 -5.357 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.573 -4.775 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.286 -2.725 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.137 -3.831 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.843 -3.809 2.364 1.00 0.00 H new ATOM 524 N THR A 38 -6.484 -8.271 4.525 1.00 0.00 N ATOM 525 CA THR A 38 -6.401 -9.389 5.451 1.00 0.00 C ATOM 526 C THR A 38 -6.365 -8.884 6.895 1.00 0.00 C ATOM 527 O THR A 38 -5.533 -8.047 7.243 1.00 0.00 O ATOM 528 CB THR A 38 -5.181 -10.229 5.070 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.518 -10.775 3.798 1.00 0.00 O ATOM 530 CG2 THR A 38 -5.011 -11.456 5.969 1.00 0.00 C ATOM 0 H THR A 38 -5.825 -8.311 3.747 1.00 0.00 H new ATOM 0 HA THR A 38 -7.284 -10.024 5.384 1.00 0.00 H new ATOM 0 HB THR A 38 -4.284 -9.612 5.125 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.559 -10.056 3.134 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.131 -12.017 5.656 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.888 -11.135 7.003 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.894 -12.091 5.889 1.00 0.00 H new ATOM 538 N GLU A 39 -7.278 -9.413 7.696 1.00 0.00 N ATOM 539 CA GLU A 39 -7.361 -9.026 9.094 1.00 0.00 C ATOM 540 C GLU A 39 -6.272 -9.731 9.905 1.00 0.00 C ATOM 541 O GLU A 39 -6.213 -9.590 11.126 1.00 0.00 O ATOM 542 CB GLU A 39 -8.749 -9.324 9.664 1.00 0.00 C ATOM 543 CG GLU A 39 -8.732 -10.596 10.515 1.00 0.00 C ATOM 544 CD GLU A 39 -10.149 -11.128 10.734 1.00 0.00 C ATOM 545 OE1 GLU A 39 -11.009 -10.309 11.122 1.00 0.00 O ATOM 546 OE2 GLU A 39 -10.340 -12.343 10.508 1.00 0.00 O ATOM 0 H GLU A 39 -7.967 -10.106 7.404 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.200 -7.950 9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.086 -8.482 10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.464 -9.437 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.126 -11.358 10.025 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.265 -10.388 11.478 1.00 0.00 H new ATOM 553 N ARG A 40 -5.438 -10.476 9.195 1.00 0.00 N ATOM 554 CA ARG A 40 -4.355 -11.204 9.833 1.00 0.00 C ATOM 555 C ARG A 40 -3.143 -11.277 8.902 1.00 0.00 C ATOM 556 O ARG A 40 -2.586 -12.352 8.686 1.00 0.00 O ATOM 557 CB ARG A 40 -4.789 -12.623 10.206 1.00 0.00 C ATOM 558 CG ARG A 40 -5.832 -12.601 11.325 1.00 0.00 C ATOM 559 CD ARG A 40 -5.162 -12.483 12.696 1.00 0.00 C ATOM 560 NE ARG A 40 -5.950 -13.220 13.709 1.00 0.00 N ATOM 561 CZ ARG A 40 -5.656 -13.245 15.016 1.00 0.00 C ATOM 562 NH1 ARG A 40 -4.592 -12.574 15.477 1.00 0.00 N ATOM 563 NH2 ARG A 40 -6.427 -13.941 15.863 1.00 0.00 N ATOM 0 H ARG A 40 -5.491 -10.591 8.183 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.087 -10.667 10.743 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.201 -13.123 9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.921 -13.201 10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.513 -11.763 11.176 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.432 -13.510 11.286 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.149 -12.882 12.650 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.079 -11.434 12.980 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.768 -13.741 13.393 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.005 -12.044 14.833 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.369 -12.593 16.472 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.237 -14.452 15.513 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.203 -13.960 16.858 1.00 0.00 H new ATOM 577 N GLY A 41 -2.770 -10.119 8.376 1.00 0.00 N ATOM 578 CA GLY A 41 -1.635 -10.038 7.474 1.00 0.00 C ATOM 579 C GLY A 41 -0.655 -8.951 7.921 1.00 0.00 C ATOM 580 O GLY A 41 -0.745 -8.453 9.042 1.00 0.00 O ATOM 0 H GLY A 41 -3.234 -9.229 8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.125 -11.000 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.984 -9.825 6.463 1.00 0.00 H new ATOM 584 N LYS A 42 0.257 -8.615 7.021 1.00 0.00 N ATOM 585 CA LYS A 42 1.252 -7.596 7.308 1.00 0.00 C ATOM 586 C LYS A 42 0.656 -6.214 7.031 1.00 0.00 C ATOM 587 O LYS A 42 1.178 -5.204 7.499 1.00 0.00 O ATOM 588 CB LYS A 42 2.543 -7.874 6.536 1.00 0.00 C ATOM 589 CG LYS A 42 3.254 -9.114 7.085 1.00 0.00 C ATOM 590 CD LYS A 42 2.516 -10.392 6.682 1.00 0.00 C ATOM 591 CE LYS A 42 3.390 -11.626 6.915 1.00 0.00 C ATOM 592 NZ LYS A 42 2.563 -12.772 7.354 1.00 0.00 N ATOM 0 H LYS A 42 0.328 -9.031 6.092 1.00 0.00 H new ATOM 0 HA LYS A 42 1.527 -7.620 8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.315 -8.019 5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.205 -7.011 6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.277 -9.147 6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.314 -9.052 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.594 -10.481 7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.232 -10.336 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.919 -11.882 5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.146 -11.406 7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.172 -13.601 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.077 -12.530 8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.858 -12.992 6.622 1.00 0.00 H new ATOM 606 N ALA A 43 -0.430 -6.215 6.272 1.00 0.00 N ATOM 607 CA ALA A 43 -1.103 -4.974 5.927 1.00 0.00 C ATOM 608 C ALA A 43 -1.867 -4.457 7.148 1.00 0.00 C ATOM 609 O ALA A 43 -1.468 -3.468 7.760 1.00 0.00 O ATOM 610 CB ALA A 43 -2.017 -5.207 4.723 1.00 0.00 C ATOM 0 H ALA A 43 -0.861 -7.055 5.886 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.379 -4.210 5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.522 -4.276 4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.422 -5.545 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.759 -5.966 4.971 1.00 0.00 H new ATOM 616 N GLU A 44 -2.951 -5.149 7.465 1.00 0.00 N ATOM 617 CA GLU A 44 -3.774 -4.772 8.601 1.00 0.00 C ATOM 618 C GLU A 44 -2.892 -4.379 9.788 1.00 0.00 C ATOM 619 O GLU A 44 -3.079 -3.316 10.379 1.00 0.00 O ATOM 620 CB GLU A 44 -4.734 -5.901 8.982 1.00 0.00 C ATOM 621 CG GLU A 44 -5.474 -5.577 10.281 1.00 0.00 C ATOM 622 CD GLU A 44 -4.588 -5.847 11.499 1.00 0.00 C ATOM 623 OE1 GLU A 44 -4.188 -7.020 11.660 1.00 0.00 O ATOM 624 OE2 GLU A 44 -4.331 -4.874 12.240 1.00 0.00 O ATOM 0 H GLU A 44 -3.279 -5.969 6.955 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.375 -3.908 8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.454 -6.058 8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.179 -6.832 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.783 -4.532 10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.381 -6.178 10.346 1.00 0.00 H new ATOM 631 N ALA A 45 -1.950 -5.256 10.101 1.00 0.00 N ATOM 632 CA ALA A 45 -1.039 -5.014 11.206 1.00 0.00 C ATOM 633 C ALA A 45 -0.556 -3.563 11.155 1.00 0.00 C ATOM 634 O ALA A 45 -0.514 -2.883 12.179 1.00 0.00 O ATOM 635 CB ALA A 45 0.117 -6.015 11.144 1.00 0.00 C ATOM 0 H ALA A 45 -1.798 -6.136 9.608 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.546 -5.160 12.160 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.801 -5.833 11.973 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.276 -7.029 11.213 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.651 -5.896 10.201 1.00 0.00 H new ATOM 641 N ALA A 46 -0.205 -3.132 9.953 1.00 0.00 N ATOM 642 CA ALA A 46 0.273 -1.774 9.755 1.00 0.00 C ATOM 643 C ALA A 46 -0.884 -0.795 9.965 1.00 0.00 C ATOM 644 O ALA A 46 -1.178 -0.409 11.095 1.00 0.00 O ATOM 645 CB ALA A 46 0.897 -1.649 8.363 1.00 0.00 C ATOM 0 H ALA A 46 -0.242 -3.699 9.106 1.00 0.00 H new ATOM 0 HA ALA A 46 1.048 -1.530 10.482 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.255 -0.630 8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.732 -2.344 8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.148 -1.884 7.606 1.00 0.00 H new ATOM 651 N ASP A 47 -1.509 -0.421 8.858 1.00 0.00 N ATOM 652 CA ASP A 47 -2.628 0.505 8.906 1.00 0.00 C ATOM 653 C ASP A 47 -3.226 0.650 7.506 1.00 0.00 C ATOM 654 O ASP A 47 -3.669 1.732 7.125 1.00 0.00 O ATOM 655 CB ASP A 47 -2.176 1.890 9.373 1.00 0.00 C ATOM 656 CG ASP A 47 -3.307 2.837 9.778 1.00 0.00 C ATOM 657 OD1 ASP A 47 -4.469 2.501 9.463 1.00 0.00 O ATOM 658 OD2 ASP A 47 -2.984 3.876 10.393 1.00 0.00 O ATOM 0 H ASP A 47 -1.262 -0.743 7.922 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.363 0.109 9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.503 1.769 10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.601 2.357 8.573 1.00 0.00 H new ATOM 663 N LEU A 48 -3.219 -0.457 6.777 1.00 0.00 N ATOM 664 CA LEU A 48 -3.756 -0.467 5.427 1.00 0.00 C ATOM 665 C LEU A 48 -5.239 -0.839 5.475 1.00 0.00 C ATOM 666 O LEU A 48 -5.642 -1.700 6.255 1.00 0.00 O ATOM 667 CB LEU A 48 -2.922 -1.381 4.526 1.00 0.00 C ATOM 668 CG LEU A 48 -3.384 -1.491 3.071 1.00 0.00 C ATOM 669 CD1 LEU A 48 -3.251 -0.148 2.351 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.636 -2.609 2.342 1.00 0.00 C ATOM 0 H LEU A 48 -2.850 -1.353 7.096 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.690 0.527 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.892 -1.024 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.916 -2.380 4.961 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.442 -1.755 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.586 -0.254 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.864 0.598 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.208 0.170 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.983 -2.666 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.566 -2.399 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.825 -3.559 2.842 1.00 0.00 H new ATOM 682 N ARG A 49 -6.011 -0.170 4.631 1.00 0.00 N ATOM 683 CA ARG A 49 -7.441 -0.419 4.567 1.00 0.00 C ATOM 684 C ARG A 49 -7.909 -0.461 3.111 1.00 0.00 C ATOM 685 O ARG A 49 -7.258 0.100 2.230 1.00 0.00 O ATOM 686 CB ARG A 49 -8.223 0.663 5.315 1.00 0.00 C ATOM 687 CG ARG A 49 -8.778 0.124 6.635 1.00 0.00 C ATOM 688 CD ARG A 49 -9.070 1.264 7.613 1.00 0.00 C ATOM 689 NE ARG A 49 -8.276 1.085 8.850 1.00 0.00 N ATOM 690 CZ ARG A 49 -8.551 1.691 10.013 1.00 0.00 C ATOM 691 NH1 ARG A 49 -9.601 2.519 10.105 1.00 0.00 N ATOM 692 NH2 ARG A 49 -7.776 1.470 11.083 1.00 0.00 N ATOM 0 H ARG A 49 -5.673 0.544 3.986 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.630 -1.382 5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.574 1.516 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.042 1.022 4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.691 -0.441 6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.062 -0.567 7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.828 2.221 7.151 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.133 1.285 7.853 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.469 0.462 8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.190 2.688 9.290 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.811 2.980 10.990 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.977 0.840 11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.985 1.931 11.968 1.00 0.00 H new ATOM 706 N PRO A 50 -9.062 -1.149 2.896 1.00 0.00 N ATOM 707 CA PRO A 50 -9.624 -1.271 1.562 1.00 0.00 C ATOM 708 C PRO A 50 -10.282 0.038 1.122 1.00 0.00 C ATOM 709 O PRO A 50 -11.196 0.530 1.783 1.00 0.00 O ATOM 710 CB PRO A 50 -10.605 -2.429 1.653 1.00 0.00 C ATOM 711 CG PRO A 50 -10.900 -2.610 3.133 1.00 0.00 C ATOM 712 CD PRO A 50 -9.859 -1.826 3.915 1.00 0.00 C ATOM 0 HA PRO A 50 -8.867 -1.467 0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.517 -2.213 1.097 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.179 -3.337 1.226 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.903 -2.254 3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.865 -3.665 3.403 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.327 -1.111 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.243 -2.486 4.526 1.00 0.00 H new ATOM 720 N GLY A 51 -9.793 0.564 0.009 1.00 0.00 N ATOM 721 CA GLY A 51 -10.323 1.807 -0.526 1.00 0.00 C ATOM 722 C GLY A 51 -9.246 2.894 -0.557 1.00 0.00 C ATOM 723 O GLY A 51 -9.378 3.883 -1.276 1.00 0.00 O ATOM 0 H GLY A 51 -9.036 0.153 -0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.705 1.640 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.164 2.140 0.083 1.00 0.00 H new ATOM 727 N ASP A 52 -8.205 2.673 0.233 1.00 0.00 N ATOM 728 CA ASP A 52 -7.107 3.622 0.305 1.00 0.00 C ATOM 729 C ASP A 52 -6.451 3.742 -1.072 1.00 0.00 C ATOM 730 O ASP A 52 -6.037 2.742 -1.656 1.00 0.00 O ATOM 731 CB ASP A 52 -6.040 3.154 1.297 1.00 0.00 C ATOM 732 CG ASP A 52 -6.426 3.287 2.772 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.257 4.405 3.304 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.880 2.267 3.334 1.00 0.00 O ATOM 0 H ASP A 52 -8.099 1.851 0.828 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.510 4.580 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.807 2.109 1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.128 3.725 1.123 1.00 0.00 H new ATOM 739 N ILE A 53 -6.377 4.976 -1.550 1.00 0.00 N ATOM 740 CA ILE A 53 -5.779 5.240 -2.848 1.00 0.00 C ATOM 741 C ILE A 53 -4.257 5.283 -2.703 1.00 0.00 C ATOM 742 O ILE A 53 -3.713 6.208 -2.101 1.00 0.00 O ATOM 743 CB ILE A 53 -6.375 6.508 -3.464 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.853 6.309 -3.806 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.561 6.962 -4.678 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.535 7.649 -4.088 1.00 0.00 C ATOM 0 H ILE A 53 -6.721 5.803 -1.062 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.011 4.435 -3.546 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.321 7.306 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.944 5.660 -4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.357 5.807 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.005 7.865 -5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.536 7.171 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.561 6.174 -5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.585 7.480 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.463 8.287 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.044 8.137 -4.930 1.00 0.00 H new ATOM 758 N ILE A 54 -3.612 4.272 -3.266 1.00 0.00 N ATOM 759 CA ILE A 54 -2.163 4.183 -3.208 1.00 0.00 C ATOM 760 C ILE A 54 -1.553 5.241 -4.129 1.00 0.00 C ATOM 761 O ILE A 54 -1.630 5.124 -5.351 1.00 0.00 O ATOM 762 CB ILE A 54 -1.701 2.757 -3.518 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.846 1.854 -2.292 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.273 2.752 -4.068 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.460 0.412 -2.625 1.00 0.00 C ATOM 0 H ILE A 54 -4.067 3.507 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.809 4.396 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.348 2.350 -4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.215 2.226 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.875 1.885 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.032 1.727 -4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.234 3.339 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.402 3.186 -3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.572 -0.209 -1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.109 0.035 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.424 0.381 -2.961 1.00 0.00 H new ATOM 777 N VAL A 55 -0.962 6.251 -3.507 1.00 0.00 N ATOM 778 CA VAL A 55 -0.339 7.329 -4.256 1.00 0.00 C ATOM 779 C VAL A 55 1.003 6.850 -4.812 1.00 0.00 C ATOM 780 O VAL A 55 1.292 7.036 -5.993 1.00 0.00 O ATOM 781 CB VAL A 55 -0.211 8.573 -3.374 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.226 9.848 -4.219 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.311 8.606 -2.311 1.00 0.00 C ATOM 0 H VAL A 55 -0.902 6.345 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.960 7.612 -5.106 1.00 0.00 H new ATOM 0 HB VAL A 55 0.749 8.523 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.134 10.717 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.608 9.830 -4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.163 9.907 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.197 9.500 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.286 8.621 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.234 7.721 -1.680 1.00 0.00 H new ATOM 793 N ALA A 56 1.788 6.243 -3.934 1.00 0.00 N ATOM 794 CA ALA A 56 3.093 5.736 -4.322 1.00 0.00 C ATOM 795 C ALA A 56 3.292 4.341 -3.724 1.00 0.00 C ATOM 796 O ALA A 56 2.458 3.867 -2.955 1.00 0.00 O ATOM 797 CB ALA A 56 4.177 6.720 -3.878 1.00 0.00 C ATOM 0 H ALA A 56 1.545 6.091 -2.955 1.00 0.00 H new ATOM 0 HA ALA A 56 3.161 5.644 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.156 6.339 -4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.008 7.686 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.141 6.837 -2.795 1.00 0.00 H new ATOM 803 N ILE A 57 4.402 3.724 -4.101 1.00 0.00 N ATOM 804 CA ILE A 57 4.721 2.393 -3.612 1.00 0.00 C ATOM 805 C ILE A 57 6.168 2.371 -3.115 1.00 0.00 C ATOM 806 O ILE A 57 7.101 2.292 -3.913 1.00 0.00 O ATOM 807 CB ILE A 57 4.422 1.343 -4.684 1.00 0.00 C ATOM 808 CG1 ILE A 57 2.917 1.098 -4.807 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.193 0.049 -4.413 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.607 0.169 -5.982 1.00 0.00 C ATOM 0 H ILE A 57 5.092 4.121 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 57 4.088 2.136 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 57 4.765 1.728 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.540 0.660 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.400 2.048 -4.944 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.963 -0.681 -5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.263 0.256 -4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.903 -0.351 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.530 0.011 -6.047 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.964 0.621 -6.907 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.105 -0.788 -5.830 1.00 0.00 H new ATOM 822 N ASN A 58 6.310 2.441 -1.800 1.00 0.00 N ATOM 823 CA ASN A 58 7.627 2.429 -1.187 1.00 0.00 C ATOM 824 C ASN A 58 8.318 3.769 -1.450 1.00 0.00 C ATOM 825 O ASN A 58 9.499 3.932 -1.146 1.00 0.00 O ATOM 826 CB ASN A 58 8.501 1.322 -1.781 1.00 0.00 C ATOM 827 CG ASN A 58 8.997 0.371 -0.690 1.00 0.00 C ATOM 828 OD1 ASN A 58 8.773 0.571 0.493 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.681 -0.672 -1.151 1.00 0.00 N ATOM 0 H ASN A 58 5.534 2.506 -1.141 1.00 0.00 H new ATOM 0 HA ASN A 58 7.501 2.254 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.932 0.764 -2.524 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.353 1.764 -2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.054 -1.365 -0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.833 -0.780 -2.154 1.00 0.00 H new ATOM 836 N GLY A 59 7.553 4.694 -2.010 1.00 0.00 N ATOM 837 CA GLY A 59 8.077 6.014 -2.317 1.00 0.00 C ATOM 838 C GLY A 59 8.014 6.294 -3.820 1.00 0.00 C ATOM 839 O GLY A 59 8.214 7.427 -4.253 1.00 0.00 O ATOM 0 H GLY A 59 6.574 4.556 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.506 6.770 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.108 6.089 -1.973 1.00 0.00 H new ATOM 843 N GLN A 60 7.734 5.241 -4.574 1.00 0.00 N ATOM 844 CA GLN A 60 7.642 5.359 -6.019 1.00 0.00 C ATOM 845 C GLN A 60 6.196 5.636 -6.438 1.00 0.00 C ATOM 846 O GLN A 60 5.302 4.839 -6.159 1.00 0.00 O ATOM 847 CB GLN A 60 8.181 4.103 -6.707 1.00 0.00 C ATOM 848 CG GLN A 60 7.861 4.118 -8.204 1.00 0.00 C ATOM 849 CD GLN A 60 9.143 4.111 -9.039 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.409 5.008 -9.822 1.00 0.00 O ATOM 851 NE2 GLN A 60 9.920 3.053 -8.828 1.00 0.00 N ATOM 0 H GLN A 60 7.568 4.302 -4.211 1.00 0.00 H new ATOM 0 HA GLN A 60 8.259 6.200 -6.335 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.260 4.039 -6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.745 3.216 -6.247 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.253 3.250 -8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.271 5.002 -8.445 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.637 2.338 -8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.799 2.956 -9.336 1.00 0.00 H new ATOM 860 N SER A 61 6.013 6.769 -7.100 1.00 0.00 N ATOM 861 CA SER A 61 4.691 7.161 -7.560 1.00 0.00 C ATOM 862 C SER A 61 3.931 5.936 -8.073 1.00 0.00 C ATOM 863 O SER A 61 4.513 5.063 -8.714 1.00 0.00 O ATOM 864 CB SER A 61 4.783 8.225 -8.655 1.00 0.00 C ATOM 865 OG SER A 61 4.756 9.546 -8.120 1.00 0.00 O ATOM 0 H SER A 61 6.757 7.428 -7.329 1.00 0.00 H new ATOM 0 HA SER A 61 4.149 7.591 -6.718 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.703 8.083 -9.223 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.955 8.100 -9.353 1.00 0.00 H new ATOM 0 HG SER A 61 4.819 10.196 -8.851 1.00 0.00 H new ATOM 871 N ALA A 62 2.641 5.911 -7.771 1.00 0.00 N ATOM 872 CA ALA A 62 1.795 4.808 -8.193 1.00 0.00 C ATOM 873 C ALA A 62 0.637 5.352 -9.033 1.00 0.00 C ATOM 874 O ALA A 62 -0.250 4.600 -9.433 1.00 0.00 O ATOM 875 CB ALA A 62 1.312 4.036 -6.964 1.00 0.00 C ATOM 0 H ALA A 62 2.161 6.637 -7.239 1.00 0.00 H new ATOM 0 HA ALA A 62 2.355 4.111 -8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.677 3.208 -7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.171 3.646 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.743 4.703 -6.316 1.00 0.00 H new ATOM 881 N GLU A 63 0.683 6.654 -9.274 1.00 0.00 N ATOM 882 CA GLU A 63 -0.351 7.307 -10.058 1.00 0.00 C ATOM 883 C GLU A 63 -0.439 6.677 -11.450 1.00 0.00 C ATOM 884 O GLU A 63 -1.522 6.582 -12.025 1.00 0.00 O ATOM 885 CB GLU A 63 -0.099 8.813 -10.153 1.00 0.00 C ATOM 886 CG GLU A 63 -1.145 9.595 -9.355 1.00 0.00 C ATOM 887 CD GLU A 63 -1.436 10.947 -10.010 1.00 0.00 C ATOM 888 OE1 GLU A 63 -0.508 11.784 -10.019 1.00 0.00 O ATOM 889 OE2 GLU A 63 -2.579 11.112 -10.487 1.00 0.00 O ATOM 0 H GLU A 63 1.421 7.274 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.307 7.163 -9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.898 9.043 -9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.125 9.125 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.065 9.014 -9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.790 9.749 -8.336 1.00 0.00 H new ATOM 896 N ASN A 64 0.716 6.263 -11.951 1.00 0.00 N ATOM 897 CA ASN A 64 0.783 5.645 -13.265 1.00 0.00 C ATOM 898 C ASN A 64 1.409 4.255 -13.138 1.00 0.00 C ATOM 899 O ASN A 64 2.427 3.968 -13.766 1.00 0.00 O ATOM 900 CB ASN A 64 1.652 6.469 -14.217 1.00 0.00 C ATOM 901 CG ASN A 64 3.001 6.805 -13.577 1.00 0.00 C ATOM 902 OD1 ASN A 64 3.266 6.495 -12.427 1.00 0.00 O ATOM 903 ND2 ASN A 64 3.836 7.454 -14.384 1.00 0.00 N ATOM 0 H ASN A 64 1.612 6.343 -11.471 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.230 5.585 -13.662 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.812 5.914 -15.141 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.133 7.390 -14.484 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.762 7.723 -14.051 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.551 7.683 -15.336 1.00 0.00 H new ATOM 910 N MET A 65 0.773 3.427 -12.321 1.00 0.00 N ATOM 911 CA MET A 65 1.254 2.074 -12.104 1.00 0.00 C ATOM 912 C MET A 65 0.237 1.044 -12.599 1.00 0.00 C ATOM 913 O MET A 65 -0.916 1.050 -12.171 1.00 0.00 O ATOM 914 CB MET A 65 1.514 1.857 -10.612 1.00 0.00 C ATOM 915 CG MET A 65 2.979 2.134 -10.265 1.00 0.00 C ATOM 916 SD MET A 65 3.292 1.712 -8.559 1.00 0.00 S ATOM 917 CE MET A 65 5.007 2.191 -8.432 1.00 0.00 C ATOM 0 H MET A 65 -0.071 3.668 -11.802 1.00 0.00 H new ATOM 0 HA MET A 65 2.179 1.944 -12.666 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.868 2.512 -10.028 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.259 0.833 -10.340 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.632 1.554 -10.917 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.209 3.185 -10.436 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.623 1.304 -8.285 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.312 2.697 -9.348 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.135 2.866 -7.585 1.00 0.00 H new ATOM 927 N LEU A 66 0.700 0.184 -13.495 1.00 0.00 N ATOM 928 CA LEU A 66 -0.155 -0.849 -14.053 1.00 0.00 C ATOM 929 C LEU A 66 -0.484 -1.874 -12.966 1.00 0.00 C ATOM 930 O LEU A 66 0.311 -2.095 -12.055 1.00 0.00 O ATOM 931 CB LEU A 66 0.487 -1.460 -15.300 1.00 0.00 C ATOM 932 CG LEU A 66 1.066 -0.468 -16.311 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.326 -1.030 -16.972 1.00 0.00 C ATOM 934 CD2 LEU A 66 0.012 -0.058 -17.342 1.00 0.00 C ATOM 0 H LEU A 66 1.657 0.182 -13.848 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.101 -0.422 -14.386 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.285 -2.131 -14.982 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.260 -2.071 -15.807 1.00 0.00 H new ATOM 0 HG LEU A 66 1.360 0.434 -15.774 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.717 -0.305 -17.686 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.079 -1.230 -16.209 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.082 -1.956 -17.492 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.449 0.647 -18.049 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.335 -0.941 -17.878 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.830 0.412 -16.834 1.00 0.00 H new ATOM 946 N HIS A 67 -1.658 -2.474 -13.099 1.00 0.00 N ATOM 947 CA HIS A 67 -2.103 -3.470 -12.140 1.00 0.00 C ATOM 948 C HIS A 67 -1.008 -4.522 -11.948 1.00 0.00 C ATOM 949 O HIS A 67 -0.968 -5.201 -10.924 1.00 0.00 O ATOM 950 CB HIS A 67 -3.440 -4.078 -12.568 1.00 0.00 C ATOM 951 CG HIS A 67 -4.158 -4.820 -11.466 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.142 -4.237 -10.687 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.026 -6.103 -11.023 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.575 -5.137 -9.817 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.881 -6.292 -10.026 1.00 0.00 N ATOM 0 H HIS A 67 -2.315 -2.289 -13.857 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.278 -2.997 -11.174 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.087 -3.283 -12.938 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.267 -4.761 -13.399 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.477 -3.277 -10.769 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.342 -6.840 -11.417 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.343 -4.983 -9.073 1.00 0.00 H new ATOM 963 N ALA A 68 -0.147 -4.623 -12.950 1.00 0.00 N ATOM 964 CA ALA A 68 0.945 -5.580 -12.905 1.00 0.00 C ATOM 965 C ALA A 68 2.179 -4.911 -12.298 1.00 0.00 C ATOM 966 O ALA A 68 3.010 -5.575 -11.681 1.00 0.00 O ATOM 967 CB ALA A 68 1.208 -6.122 -14.311 1.00 0.00 C ATOM 0 H ALA A 68 -0.184 -4.058 -13.798 1.00 0.00 H new ATOM 0 HA ALA A 68 0.685 -6.429 -12.272 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.027 -6.840 -14.277 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.310 -6.614 -14.685 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.474 -5.299 -14.974 1.00 0.00 H new ATOM 973 N GLU A 69 2.261 -3.603 -12.495 1.00 0.00 N ATOM 974 CA GLU A 69 3.380 -2.836 -11.975 1.00 0.00 C ATOM 975 C GLU A 69 3.305 -2.757 -10.449 1.00 0.00 C ATOM 976 O GLU A 69 4.251 -3.132 -9.757 1.00 0.00 O ATOM 977 CB GLU A 69 3.422 -1.438 -12.595 1.00 0.00 C ATOM 978 CG GLU A 69 3.808 -1.506 -14.074 1.00 0.00 C ATOM 979 CD GLU A 69 5.260 -1.068 -14.283 1.00 0.00 C ATOM 980 OE1 GLU A 69 6.150 -1.890 -13.976 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.446 0.079 -14.744 1.00 0.00 O ATOM 0 H GLU A 69 1.570 -3.055 -13.008 1.00 0.00 H new ATOM 0 HA GLU A 69 4.304 -3.346 -12.248 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.448 -0.961 -12.491 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.139 -0.819 -12.056 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.675 -2.523 -14.442 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.144 -0.867 -14.656 1.00 0.00 H new ATOM 988 N ALA A 70 2.172 -2.265 -9.968 1.00 0.00 N ATOM 989 CA ALA A 70 1.962 -2.132 -8.537 1.00 0.00 C ATOM 990 C ALA A 70 2.008 -3.517 -7.887 1.00 0.00 C ATOM 991 O ALA A 70 2.384 -3.648 -6.724 1.00 0.00 O ATOM 992 CB ALA A 70 0.637 -1.412 -8.280 1.00 0.00 C ATOM 0 H ALA A 70 1.390 -1.954 -10.545 1.00 0.00 H new ATOM 0 HA ALA A 70 2.753 -1.531 -8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.479 -1.312 -7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.666 -0.422 -8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.180 -1.988 -8.715 1.00 0.00 H new ATOM 998 N GLN A 71 1.621 -4.514 -8.668 1.00 0.00 N ATOM 999 CA GLN A 71 1.613 -5.884 -8.184 1.00 0.00 C ATOM 1000 C GLN A 71 3.043 -6.419 -8.082 1.00 0.00 C ATOM 1001 O GLN A 71 3.404 -7.052 -7.091 1.00 0.00 O ATOM 1002 CB GLN A 71 0.756 -6.779 -9.082 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.708 -6.758 -8.638 1.00 0.00 C ATOM 1004 CD GLN A 71 -0.872 -7.399 -7.258 1.00 0.00 C ATOM 1005 OE1 GLN A 71 0.037 -8.005 -6.715 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.078 -7.232 -6.723 1.00 0.00 N ATOM 0 H GLN A 71 1.311 -4.401 -9.633 1.00 0.00 H new ATOM 0 HA GLN A 71 1.170 -5.894 -7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.831 -6.442 -10.116 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.135 -7.801 -9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.069 -5.730 -8.610 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.320 -7.291 -9.366 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.794 -6.714 -7.232 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.287 -7.622 -5.804 1.00 0.00 H new ATOM 1015 N SER A 72 3.818 -6.146 -9.121 1.00 0.00 N ATOM 1016 CA SER A 72 5.201 -6.592 -9.161 1.00 0.00 C ATOM 1017 C SER A 72 6.003 -5.908 -8.053 1.00 0.00 C ATOM 1018 O SER A 72 6.632 -6.577 -7.234 1.00 0.00 O ATOM 1019 CB SER A 72 5.832 -6.308 -10.526 1.00 0.00 C ATOM 1020 OG SER A 72 7.117 -6.909 -10.655 1.00 0.00 O ATOM 0 H SER A 72 3.515 -5.622 -9.942 1.00 0.00 H new ATOM 0 HA SER A 72 5.218 -7.670 -9.000 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.177 -6.681 -11.313 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.920 -5.231 -10.668 1.00 0.00 H new ATOM 0 HG SER A 72 7.486 -6.706 -11.540 1.00 0.00 H new ATOM 1026 N LYS A 73 5.956 -4.584 -8.062 1.00 0.00 N ATOM 1027 CA LYS A 73 6.671 -3.802 -7.068 1.00 0.00 C ATOM 1028 C LYS A 73 6.340 -4.335 -5.672 1.00 0.00 C ATOM 1029 O LYS A 73 7.233 -4.747 -4.934 1.00 0.00 O ATOM 1030 CB LYS A 73 6.374 -2.311 -7.244 1.00 0.00 C ATOM 1031 CG LYS A 73 7.490 -1.619 -8.030 1.00 0.00 C ATOM 1032 CD LYS A 73 7.004 -1.203 -9.420 1.00 0.00 C ATOM 1033 CE LYS A 73 7.778 0.015 -9.928 1.00 0.00 C ATOM 1034 NZ LYS A 73 9.007 -0.409 -10.635 1.00 0.00 N ATOM 0 H LYS A 73 5.433 -4.033 -8.743 1.00 0.00 H new ATOM 0 HA LYS A 73 7.748 -3.907 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.425 -2.185 -7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.266 -1.840 -6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.834 -0.741 -7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.343 -2.291 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.127 -2.033 -10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.939 -0.973 -9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.148 0.599 -10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.038 0.663 -9.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.520 0.430 -10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.614 -0.947 -9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.752 -1.009 -11.446 1.00 0.00 H new ATOM 1048 N ILE A 74 5.054 -4.308 -5.353 1.00 0.00 N ATOM 1049 CA ILE A 74 4.594 -4.783 -4.060 1.00 0.00 C ATOM 1050 C ILE A 74 5.200 -6.161 -3.782 1.00 0.00 C ATOM 1051 O ILE A 74 5.783 -6.384 -2.723 1.00 0.00 O ATOM 1052 CB ILE A 74 3.066 -4.758 -3.992 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.555 -3.355 -3.660 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.543 -5.806 -3.007 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.147 -3.138 -4.219 1.00 0.00 C ATOM 0 H ILE A 74 4.317 -3.964 -5.968 1.00 0.00 H new ATOM 0 HA ILE A 74 4.936 -4.118 -3.267 1.00 0.00 H new ATOM 0 HB ILE A 74 2.676 -5.019 -4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.547 -3.213 -2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.234 -2.609 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.454 -5.767 -2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.862 -6.798 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.940 -5.601 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.807 -2.133 -3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.163 -3.257 -5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.466 -3.870 -3.784 1.00 0.00 H new ATOM 1067 N ARG A 75 5.040 -7.048 -4.753 1.00 0.00 N ATOM 1068 CA ARG A 75 5.563 -8.398 -4.626 1.00 0.00 C ATOM 1069 C ARG A 75 7.088 -8.367 -4.509 1.00 0.00 C ATOM 1070 O ARG A 75 7.686 -9.254 -3.901 1.00 0.00 O ATOM 1071 CB ARG A 75 5.169 -9.257 -5.830 1.00 0.00 C ATOM 1072 CG ARG A 75 5.056 -10.731 -5.438 1.00 0.00 C ATOM 1073 CD ARG A 75 3.901 -11.409 -6.179 1.00 0.00 C ATOM 1074 NE ARG A 75 3.110 -12.232 -5.237 1.00 0.00 N ATOM 1075 CZ ARG A 75 2.024 -12.936 -5.585 1.00 0.00 C ATOM 1076 NH1 ARG A 75 1.593 -12.920 -6.853 1.00 0.00 N ATOM 1077 NH2 ARG A 75 1.368 -13.655 -4.663 1.00 0.00 N ATOM 0 H ARG A 75 4.556 -6.859 -5.631 1.00 0.00 H new ATOM 0 HA ARG A 75 5.134 -8.836 -3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.217 -8.910 -6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.910 -9.143 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.990 -11.244 -5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.901 -10.814 -4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.263 -10.656 -6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.290 -12.034 -6.983 1.00 0.00 H new ATOM 0 HE ARG A 75 3.410 -12.265 -4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.091 -12.372 -7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.766 -13.456 -7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.695 -13.666 -3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.541 -14.191 -4.927 1.00 0.00 H new ATOM 1091 N GLN A 76 7.674 -7.336 -5.099 1.00 0.00 N ATOM 1092 CA GLN A 76 9.119 -7.178 -5.068 1.00 0.00 C ATOM 1093 C GLN A 76 9.508 -6.042 -4.119 1.00 0.00 C ATOM 1094 O GLN A 76 10.504 -5.356 -4.342 1.00 0.00 O ATOM 1095 CB GLN A 76 9.674 -6.933 -6.473 1.00 0.00 C ATOM 1096 CG GLN A 76 9.079 -7.922 -7.477 1.00 0.00 C ATOM 1097 CD GLN A 76 10.179 -8.742 -8.156 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.069 -9.282 -7.520 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.069 -8.803 -9.480 1.00 0.00 N ATOM 0 H GLN A 76 7.175 -6.602 -5.601 1.00 0.00 H new ATOM 0 HA GLN A 76 9.559 -8.103 -4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.448 -5.913 -6.784 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.760 -7.030 -6.461 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.385 -8.590 -6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.506 -7.381 -8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.299 -8.327 -9.950 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.755 -9.325 -10.025 1.00 0.00 H new ATOM 1108 N SER A 77 8.701 -5.879 -3.081 1.00 0.00 N ATOM 1109 CA SER A 77 8.949 -4.838 -2.097 1.00 0.00 C ATOM 1110 C SER A 77 9.442 -5.461 -0.790 1.00 0.00 C ATOM 1111 O SER A 77 8.797 -6.352 -0.240 1.00 0.00 O ATOM 1112 CB SER A 77 7.689 -4.007 -1.847 1.00 0.00 C ATOM 1113 OG SER A 77 7.884 -2.633 -2.170 1.00 0.00 O ATOM 0 H SER A 77 7.875 -6.450 -2.900 1.00 0.00 H new ATOM 0 HA SER A 77 9.719 -4.173 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.867 -4.406 -2.442 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.398 -4.096 -0.800 1.00 0.00 H new ATOM 0 HG SER A 77 7.155 -2.326 -2.749 1.00 0.00 H new ATOM 1119 N ALA A 78 10.583 -4.967 -0.330 1.00 0.00 N ATOM 1120 CA ALA A 78 11.170 -5.464 0.902 1.00 0.00 C ATOM 1121 C ALA A 78 10.330 -4.991 2.090 1.00 0.00 C ATOM 1122 O ALA A 78 9.310 -4.327 1.908 1.00 0.00 O ATOM 1123 CB ALA A 78 12.626 -5.002 0.997 1.00 0.00 C ATOM 0 H ALA A 78 11.116 -4.228 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 78 11.172 -6.554 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.066 -5.375 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.187 -5.389 0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.663 -3.913 0.991 1.00 0.00 H new ATOM 1129 N SER A 79 10.789 -5.350 3.280 1.00 0.00 N ATOM 1130 CA SER A 79 10.093 -4.971 4.497 1.00 0.00 C ATOM 1131 C SER A 79 10.985 -4.067 5.350 1.00 0.00 C ATOM 1132 O SER A 79 12.191 -4.289 5.445 1.00 0.00 O ATOM 1133 CB SER A 79 9.668 -6.204 5.296 1.00 0.00 C ATOM 1134 OG SER A 79 10.780 -7.026 5.641 1.00 0.00 O ATOM 0 H SER A 79 11.635 -5.900 3.427 1.00 0.00 H new ATOM 0 HA SER A 79 9.192 -4.424 4.219 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.155 -5.888 6.204 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.954 -6.786 4.713 1.00 0.00 H new ATOM 0 HG SER A 79 10.467 -7.802 6.152 1.00 0.00 H new ATOM 1140 N PRO A 80 10.341 -3.039 5.965 1.00 0.00 N ATOM 1141 CA PRO A 80 8.910 -2.847 5.801 1.00 0.00 C ATOM 1142 C PRO A 80 8.590 -2.267 4.421 1.00 0.00 C ATOM 1143 O PRO A 80 9.466 -1.713 3.759 1.00 0.00 O ATOM 1144 CB PRO A 80 8.502 -1.927 6.940 1.00 0.00 C ATOM 1145 CG PRO A 80 9.784 -1.268 7.423 1.00 0.00 C ATOM 1146 CD PRO A 80 10.955 -2.037 6.831 1.00 0.00 C ATOM 0 HA PRO A 80 8.353 -3.783 5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.783 -1.181 6.601 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.025 -2.488 7.743 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.817 -0.224 7.112 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.832 -1.278 8.512 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.617 -1.379 6.268 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.557 -2.503 7.611 1.00 0.00 H new ATOM 1154 N LEU A 81 7.333 -2.414 4.030 1.00 0.00 N ATOM 1155 CA LEU A 81 6.887 -1.912 2.741 1.00 0.00 C ATOM 1156 C LEU A 81 6.080 -0.629 2.950 1.00 0.00 C ATOM 1157 O LEU A 81 4.971 -0.668 3.480 1.00 0.00 O ATOM 1158 CB LEU A 81 6.127 -2.998 1.977 1.00 0.00 C ATOM 1159 CG LEU A 81 5.012 -2.510 1.049 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.590 -1.927 -0.242 1.00 0.00 C ATOM 1161 CD2 LEU A 81 4.002 -3.625 0.772 1.00 0.00 C ATOM 0 H LEU A 81 6.609 -2.873 4.583 1.00 0.00 H new ATOM 0 HA LEU A 81 7.742 -1.654 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.844 -3.566 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.694 -3.688 2.701 1.00 0.00 H new ATOM 0 HG LEU A 81 4.475 -1.707 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.777 -1.588 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.239 -1.085 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.166 -2.693 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.220 -3.252 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.509 -4.465 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.556 -3.954 1.711 1.00 0.00 H new ATOM 1173 N ARG A 82 6.669 0.479 2.524 1.00 0.00 N ATOM 1174 CA ARG A 82 6.020 1.771 2.657 1.00 0.00 C ATOM 1175 C ARG A 82 5.000 1.972 1.534 1.00 0.00 C ATOM 1176 O ARG A 82 5.284 1.678 0.374 1.00 0.00 O ATOM 1177 CB ARG A 82 7.042 2.909 2.618 1.00 0.00 C ATOM 1178 CG ARG A 82 6.957 3.767 3.881 1.00 0.00 C ATOM 1179 CD ARG A 82 8.241 4.573 4.084 1.00 0.00 C ATOM 1180 NE ARG A 82 7.939 5.838 4.790 1.00 0.00 N ATOM 1181 CZ ARG A 82 8.868 6.636 5.334 1.00 0.00 C ATOM 1182 NH1 ARG A 82 10.164 6.304 5.257 1.00 0.00 N ATOM 1183 NH2 ARG A 82 8.502 7.765 5.955 1.00 0.00 N ATOM 0 H ARG A 82 7.590 0.508 2.086 1.00 0.00 H new ATOM 0 HA ARG A 82 5.512 1.788 3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.046 2.497 2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.866 3.530 1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.106 4.444 3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.783 3.129 4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.960 3.989 4.659 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.702 4.786 3.120 1.00 0.00 H new ATOM 0 HE ARG A 82 6.962 6.120 4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.443 5.444 4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.871 6.911 5.671 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.516 8.018 6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.210 8.372 6.369 1.00 0.00 H new ATOM 1197 N LEU A 83 3.834 2.471 1.919 1.00 0.00 N ATOM 1198 CA LEU A 83 2.771 2.714 0.959 1.00 0.00 C ATOM 1199 C LEU A 83 2.111 4.059 1.265 1.00 0.00 C ATOM 1200 O LEU A 83 1.520 4.237 2.329 1.00 0.00 O ATOM 1201 CB LEU A 83 1.791 1.539 0.935 1.00 0.00 C ATOM 1202 CG LEU A 83 2.310 0.245 0.305 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.350 -0.917 0.569 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.584 0.434 -1.188 1.00 0.00 C ATOM 0 H LEU A 83 3.603 2.713 2.882 1.00 0.00 H new ATOM 0 HA LEU A 83 3.177 2.780 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.487 1.324 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.896 1.849 0.395 1.00 0.00 H new ATOM 0 HG LEU A 83 3.259 -0.008 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.743 -1.825 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.248 -1.068 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.374 -0.687 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.952 -0.501 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.663 0.723 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.333 1.214 -1.325 1.00 0.00 H new ATOM 1216 N GLN A 84 2.234 4.973 0.313 1.00 0.00 N ATOM 1217 CA GLN A 84 1.656 6.297 0.468 1.00 0.00 C ATOM 1218 C GLN A 84 0.200 6.300 -0.002 1.00 0.00 C ATOM 1219 O GLN A 84 -0.071 6.187 -1.196 1.00 0.00 O ATOM 1220 CB GLN A 84 2.477 7.345 -0.286 1.00 0.00 C ATOM 1221 CG GLN A 84 2.129 8.758 0.186 1.00 0.00 C ATOM 1222 CD GLN A 84 2.449 9.792 -0.895 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.245 9.565 -1.791 1.00 0.00 O ATOM 1224 NE2 GLN A 84 1.787 10.938 -0.761 1.00 0.00 N ATOM 0 H GLN A 84 2.725 4.822 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 84 1.676 6.559 1.526 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.540 7.158 -0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.289 7.259 -1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.071 8.809 0.441 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.687 8.990 1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.134 11.062 0.013 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.932 11.692 -1.432 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.699 6.429 0.963 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.121 6.447 0.663 1.00 0.00 C ATOM 1235 C LEU A 85 -2.604 7.897 0.591 1.00 0.00 C ATOM 1236 O LEU A 85 -2.115 8.755 1.325 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.892 5.591 1.669 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.246 4.257 2.049 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -3.012 3.582 3.189 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.113 3.345 0.828 1.00 0.00 C ATOM 0 H LEU A 85 -0.470 6.522 1.953 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.310 5.999 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.035 6.175 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.882 5.389 1.261 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.238 4.456 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.532 2.636 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.011 4.233 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.040 3.396 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.651 2.404 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.101 3.149 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.492 3.832 0.076 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.558 8.127 -0.299 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.112 9.458 -0.476 1.00 0.00 C ATOM 1254 C ASP A 86 -5.461 9.543 0.241 1.00 0.00 C ATOM 1255 O ASP A 86 -6.474 9.074 -0.277 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.343 9.766 -1.957 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.781 11.107 -2.433 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -2.826 11.585 -1.784 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -4.320 11.624 -3.436 1.00 0.00 O ATOM 0 H ASP A 86 -3.962 7.413 -0.906 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.403 10.176 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.896 8.970 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.415 9.748 -2.154 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.431 10.145 1.421 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.639 10.298 2.214 1.00 0.00 C ATOM 1266 C ARG A 87 -7.002 11.778 2.349 1.00 0.00 C ATOM 1267 O ARG A 87 -6.355 12.515 3.092 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.462 9.694 3.609 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.764 9.059 4.101 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.564 8.377 5.455 1.00 0.00 C ATOM 1271 NE ARG A 87 -7.840 9.334 6.550 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.085 8.976 7.817 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -8.089 7.680 8.158 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -8.325 9.913 8.744 1.00 0.00 N ATOM 0 H ARG A 87 -4.589 10.533 1.847 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.442 9.769 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.673 8.943 3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.145 10.469 4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.536 9.824 4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.116 8.330 3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.226 7.515 5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.543 8.004 5.536 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.844 10.329 6.325 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.905 6.966 7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.276 7.407 9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.321 10.900 8.485 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.512 9.640 9.709 1.00 0.00 H new ATOM 1288 N SER A 88 -8.035 12.170 1.618 1.00 0.00 N ATOM 1289 CA SER A 88 -8.492 13.549 1.646 1.00 0.00 C ATOM 1290 C SER A 88 -10.016 13.593 1.778 1.00 0.00 C ATOM 1291 O SER A 88 -10.727 13.670 0.777 1.00 0.00 O ATOM 1292 CB SER A 88 -8.046 14.303 0.392 1.00 0.00 C ATOM 1293 OG SER A 88 -8.244 15.709 0.516 1.00 0.00 O ATOM 0 H SER A 88 -8.569 11.556 1.002 1.00 0.00 H new ATOM 0 HA SER A 88 -8.044 14.040 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.992 14.101 0.203 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.601 13.933 -0.470 1.00 0.00 H new ATOM 0 HG SER A 88 -7.946 16.155 -0.304 1.00 0.00 H new ATOM 1299 N SER A 89 -10.472 13.542 3.021 1.00 0.00 N ATOM 1300 CA SER A 89 -11.899 13.575 3.296 1.00 0.00 C ATOM 1301 C SER A 89 -12.138 13.762 4.796 1.00 0.00 C ATOM 1302 O SER A 89 -11.214 13.629 5.597 1.00 0.00 O ATOM 1303 CB SER A 89 -12.584 12.298 2.805 1.00 0.00 C ATOM 1304 OG SER A 89 -12.617 12.223 1.382 1.00 0.00 O ATOM 0 H SER A 89 -9.879 13.478 3.849 1.00 0.00 H new ATOM 0 HA SER A 89 -12.332 14.418 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.059 11.429 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.602 12.260 3.194 1.00 0.00 H new ATOM 0 HG SER A 89 -12.219 13.034 1.002 1.00 0.00 H new ATOM 1310 N GLY A 90 -13.383 14.069 5.130 1.00 0.00 N ATOM 1311 CA GLY A 90 -13.755 14.277 6.519 1.00 0.00 C ATOM 1312 C GLY A 90 -15.249 14.581 6.647 1.00 0.00 C ATOM 1313 O GLY A 90 -15.880 15.022 5.688 1.00 0.00 O ATOM 0 H GLY A 90 -14.147 14.179 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.510 13.389 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -13.176 15.101 6.935 1.00 0.00 H new ATOM 1317 N PRO A 91 -15.785 14.328 7.870 1.00 0.00 N ATOM 1318 CA PRO A 91 -17.193 14.570 8.136 1.00 0.00 C ATOM 1319 C PRO A 91 -17.473 16.066 8.286 1.00 0.00 C ATOM 1320 O PRO A 91 -16.603 16.825 8.712 1.00 0.00 O ATOM 1321 CB PRO A 91 -17.497 13.780 9.398 1.00 0.00 C ATOM 1322 CG PRO A 91 -16.152 13.503 10.051 1.00 0.00 C ATOM 1323 CD PRO A 91 -15.067 13.805 9.030 1.00 0.00 C ATOM 0 HA PRO A 91 -17.837 14.249 7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -18.146 14.346 10.066 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -18.015 12.851 9.162 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.024 14.122 10.939 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -16.092 12.464 10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -14.353 14.533 9.415 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.502 12.908 8.775 1.00 0.00 H new ATOM 1331 N SER A 92 -18.690 16.447 7.926 1.00 0.00 N ATOM 1332 CA SER A 92 -19.096 17.839 8.015 1.00 0.00 C ATOM 1333 C SER A 92 -20.494 18.016 7.419 1.00 0.00 C ATOM 1334 O SER A 92 -20.962 17.166 6.663 1.00 0.00 O ATOM 1335 CB SER A 92 -18.096 18.751 7.301 1.00 0.00 C ATOM 1336 OG SER A 92 -17.537 19.723 8.181 1.00 0.00 O ATOM 0 H SER A 92 -19.408 15.815 7.572 1.00 0.00 H new ATOM 0 HA SER A 92 -19.118 18.122 9.067 1.00 0.00 H new ATOM 0 HB2 SER A 92 -17.296 18.147 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 92 -18.593 19.255 6.472 1.00 0.00 H new ATOM 0 HG SER A 92 -16.903 20.284 7.688 1.00 0.00 H new ATOM 1342 N SER A 93 -21.121 19.125 7.783 1.00 0.00 N ATOM 1343 CA SER A 93 -22.456 19.424 7.294 1.00 0.00 C ATOM 1344 C SER A 93 -22.519 19.212 5.780 1.00 0.00 C ATOM 1345 O SER A 93 -21.498 19.279 5.098 1.00 0.00 O ATOM 1346 CB SER A 93 -22.865 20.856 7.647 1.00 0.00 C ATOM 1347 OG SER A 93 -23.929 21.326 6.825 1.00 0.00 O ATOM 0 H SER A 93 -20.729 19.827 8.411 1.00 0.00 H new ATOM 0 HA SER A 93 -23.157 18.745 7.779 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.169 20.899 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 93 -22.004 21.516 7.538 1.00 0.00 H new ATOM 0 HG SER A 93 -24.161 22.242 7.083 1.00 0.00 H new ATOM 1353 N GLY A 94 -23.728 18.961 5.299 1.00 0.00 N ATOM 1354 CA GLY A 94 -23.936 18.740 3.878 1.00 0.00 C ATOM 1355 C GLY A 94 -23.584 19.990 3.070 1.00 0.00 C ATOM 1356 O GLY A 94 -23.310 19.904 1.874 1.00 0.00 O ATOM 0 H GLY A 94 -24.573 18.906 5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -23.324 17.902 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -24.976 18.467 3.697 1.00 0.00 H new TER 1360 GLY A 94