USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 162:sc= -1.55! (180deg=-2.18!) USER MOD Single : A 2 LYS NZ :NH3+ 158:sc= -0.0956 (180deg=-0.776) USER MOD Single : A 14 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.663 K(o=-0.66,f=-4.9!) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= -0.0981 (180deg=-0.809) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -7.11! C(o=-7.1!,f=-13!) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.512 F(o=-3.7!,f=-0.51) USER MOD Single : A 29 SER OG : rot 70:sc= 0.735 USER MOD Single : A 36 GLN :FLIP amide:sc= -6.35! C(o=-8!,f=-6.3!) USER MOD Single : A 43 THR OG1 : rot 98:sc= 0.0181 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -135:sc= -0.277 (180deg=-1.49!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= -0.0959 (180deg=-0.619) USER MOD Single : A 54 ASN :FLIP amide:sc= 0.794 F(o=-2.2,f=0.79) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -152:sc= -0.27 (180deg=-2.15) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.14 K(o=-0.14,f=-2.3!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= -5.06! (180deg=-6.25!) USER MOD Single : A 76 ASN :FLIP amide:sc= -3.52! C(o=-14!,f=-3.5!) USER MOD Single : A 79 THR OG1 : rot 130:sc= -0.911 USER MOD Single : A 80 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.62) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.314 F(o=-2.8!,f=-0.31) USER MOD Single : A 86 THR OG1 : rot 175:sc= -0.487 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -54:sc= 0.567 USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 9.368 27.958 10.335 1.00 0.00 N ATOM 2 CA LEU A 1 8.337 27.715 9.287 1.00 0.00 C ATOM 3 C LEU A 1 7.366 26.633 9.770 1.00 0.00 C ATOM 4 O LEU A 1 7.353 26.270 10.929 1.00 0.00 O ATOM 5 CB LEU A 1 9.021 27.269 7.983 1.00 0.00 C ATOM 6 CG LEU A 1 10.228 26.374 8.294 1.00 0.00 C ATOM 7 CD1 LEU A 1 9.781 25.152 9.105 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.857 25.910 6.977 1.00 0.00 C ATOM 0 H1 LEU A 1 10.184 28.446 9.913 1.00 0.00 H new ATOM 0 H2 LEU A 1 8.964 28.549 11.089 1.00 0.00 H new ATOM 0 H3 LEU A 1 9.677 27.049 10.735 1.00 0.00 H new ATOM 0 HA LEU A 1 7.782 28.634 9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.310 26.728 7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.344 28.142 7.416 1.00 0.00 H new ATOM 0 HG LEU A 1 10.956 26.938 8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.645 24.523 9.321 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.329 25.482 10.041 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.051 24.582 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.716 25.273 7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.122 25.348 6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.182 26.778 6.403 1.00 0.00 H new ATOM 20 N LYS A 2 6.550 26.115 8.889 1.00 0.00 N ATOM 21 CA LYS A 2 5.576 25.055 9.292 1.00 0.00 C ATOM 22 C LYS A 2 5.426 24.046 8.152 1.00 0.00 C ATOM 23 O LYS A 2 5.930 24.245 7.064 1.00 0.00 O ATOM 24 CB LYS A 2 4.216 25.696 9.582 1.00 0.00 C ATOM 25 CG LYS A 2 4.362 26.715 10.714 1.00 0.00 C ATOM 26 CD LYS A 2 2.982 27.262 11.087 1.00 0.00 C ATOM 27 CE LYS A 2 3.127 28.287 12.213 1.00 0.00 C ATOM 28 NZ LYS A 2 4.017 29.395 11.765 1.00 0.00 N ATOM 0 H LYS A 2 6.516 26.381 7.905 1.00 0.00 H new ATOM 0 HA LYS A 2 5.939 24.548 10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.834 26.185 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.493 24.929 9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.826 26.247 11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.016 27.529 10.403 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.515 27.725 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.330 26.448 11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.149 28.681 12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.541 27.811 13.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.832 30.242 12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.011 29.110 11.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.830 29.607 10.764 1.00 0.00 H new ATOM 42 N GLU A 3 4.737 22.963 8.390 1.00 0.00 N ATOM 43 CA GLU A 3 4.558 21.944 7.320 1.00 0.00 C ATOM 44 C GLU A 3 3.506 20.923 7.758 1.00 0.00 C ATOM 45 O GLU A 3 3.753 20.085 8.601 1.00 0.00 O ATOM 46 CB GLU A 3 5.886 21.229 7.067 1.00 0.00 C ATOM 47 CG GLU A 3 5.780 20.390 5.793 1.00 0.00 C ATOM 48 CD GLU A 3 5.739 21.316 4.576 1.00 0.00 C ATOM 49 OE1 GLU A 3 6.040 22.487 4.736 1.00 0.00 O ATOM 50 OE2 GLU A 3 5.408 20.836 3.504 1.00 0.00 O ATOM 0 H GLU A 3 4.291 22.741 9.280 1.00 0.00 H new ATOM 0 HA GLU A 3 4.230 22.435 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.691 21.958 6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.135 20.591 7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.630 19.712 5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.882 19.773 5.825 1.00 0.00 H new ATOM 57 N VAL A 4 2.332 20.986 7.190 1.00 0.00 N ATOM 58 CA VAL A 4 1.266 20.018 7.572 1.00 0.00 C ATOM 59 C VAL A 4 1.657 18.617 7.100 1.00 0.00 C ATOM 60 O VAL A 4 2.172 17.817 7.857 1.00 0.00 O ATOM 61 CB VAL A 4 -0.054 20.428 6.919 1.00 0.00 C ATOM 62 CG1 VAL A 4 -1.159 19.461 7.350 1.00 0.00 C ATOM 63 CG2 VAL A 4 -0.421 21.847 7.359 1.00 0.00 C ATOM 0 H VAL A 4 2.066 21.666 6.478 1.00 0.00 H new ATOM 0 HA VAL A 4 1.148 20.016 8.656 1.00 0.00 H new ATOM 0 HB VAL A 4 0.053 20.398 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.100 19.753 6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.899 18.449 7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.266 19.491 8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.362 22.140 6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.528 21.876 8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.365 22.537 7.054 1.00 0.00 H new ATOM 73 N TRP A 5 1.419 18.311 5.854 1.00 0.00 N ATOM 74 CA TRP A 5 1.778 16.961 5.337 1.00 0.00 C ATOM 75 C TRP A 5 1.575 16.928 3.818 1.00 0.00 C ATOM 76 O TRP A 5 2.511 17.056 3.055 1.00 0.00 O ATOM 77 CB TRP A 5 0.889 15.908 6.010 1.00 0.00 C ATOM 78 CG TRP A 5 1.066 14.574 5.350 1.00 0.00 C ATOM 79 CD1 TRP A 5 2.242 14.066 4.909 1.00 0.00 C ATOM 80 CD2 TRP A 5 0.052 13.570 5.055 1.00 0.00 C ATOM 81 NE1 TRP A 5 2.012 12.817 4.362 1.00 0.00 N ATOM 82 CE2 TRP A 5 0.677 12.466 4.428 1.00 0.00 C ATOM 83 CE3 TRP A 5 -1.337 13.512 5.268 1.00 0.00 C ATOM 84 CZ2 TRP A 5 -0.051 11.344 4.027 1.00 0.00 C ATOM 85 CZ3 TRP A 5 -2.073 12.385 4.867 1.00 0.00 C ATOM 86 CH2 TRP A 5 -1.431 11.304 4.247 1.00 0.00 C ATOM 0 H TRP A 5 0.992 18.938 5.172 1.00 0.00 H new ATOM 0 HA TRP A 5 2.822 16.744 5.562 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.140 15.833 7.068 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.156 16.214 5.951 1.00 0.00 H new ATOM 0 HD1 TRP A 5 3.202 14.556 4.974 1.00 0.00 H new ATOM 0 HE1 TRP A 5 2.739 12.226 3.959 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -1.841 14.340 5.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 0.448 10.513 3.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.139 12.351 5.037 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -2.002 10.441 3.939 1.00 0.00 H new ATOM 97 N GLU A 6 0.359 16.763 3.375 1.00 0.00 N ATOM 98 CA GLU A 6 0.101 16.728 1.907 1.00 0.00 C ATOM 99 C GLU A 6 0.333 18.122 1.320 1.00 0.00 C ATOM 100 O GLU A 6 1.034 18.286 0.342 1.00 0.00 O ATOM 101 CB GLU A 6 -1.346 16.301 1.653 1.00 0.00 C ATOM 102 CG GLU A 6 -1.499 14.807 1.949 1.00 0.00 C ATOM 103 CD GLU A 6 -0.805 13.996 0.854 1.00 0.00 C ATOM 104 OE1 GLU A 6 -1.158 14.172 -0.301 1.00 0.00 O ATOM 105 OE2 GLU A 6 0.069 13.212 1.188 1.00 0.00 O ATOM 0 H GLU A 6 -0.466 16.651 3.964 1.00 0.00 H new ATOM 0 HA GLU A 6 0.777 16.015 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.022 16.878 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.621 16.507 0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.065 14.572 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.555 14.542 1.999 1.00 0.00 H new ATOM 112 N GLU A 7 -0.252 19.125 1.914 1.00 0.00 N ATOM 113 CA GLU A 7 -0.067 20.511 1.398 1.00 0.00 C ATOM 114 C GLU A 7 -0.427 20.558 -0.090 1.00 0.00 C ATOM 115 O GLU A 7 0.406 20.828 -0.932 1.00 0.00 O ATOM 116 CB GLU A 7 1.391 20.939 1.587 1.00 0.00 C ATOM 117 CG GLU A 7 1.532 22.440 1.314 1.00 0.00 C ATOM 118 CD GLU A 7 3.013 22.824 1.330 1.00 0.00 C ATOM 119 OE1 GLU A 7 3.676 22.511 2.305 1.00 0.00 O ATOM 120 OE2 GLU A 7 3.459 23.427 0.367 1.00 0.00 O ATOM 0 H GLU A 7 -0.851 19.045 2.736 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.717 21.191 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.717 20.713 2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.035 20.375 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.091 22.688 0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.989 23.010 2.068 1.00 0.00 H new ATOM 127 N LEU A 8 -1.666 20.297 -0.415 1.00 0.00 N ATOM 128 CA LEU A 8 -2.090 20.328 -1.850 1.00 0.00 C ATOM 129 C LEU A 8 -1.517 21.582 -2.519 1.00 0.00 C ATOM 130 O LEU A 8 -1.569 22.665 -1.970 1.00 0.00 O ATOM 131 CB LEU A 8 -3.622 20.356 -1.945 1.00 0.00 C ATOM 132 CG LEU A 8 -4.216 19.038 -1.393 1.00 0.00 C ATOM 133 CD1 LEU A 8 -5.664 19.267 -0.927 1.00 0.00 C ATOM 134 CD2 LEU A 8 -4.219 17.952 -2.486 1.00 0.00 C ATOM 0 H LEU A 8 -2.404 20.064 0.249 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.717 19.436 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.013 21.203 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.927 20.494 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.601 18.713 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.074 18.334 -0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.678 20.023 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.268 19.607 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.640 17.031 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.822 18.287 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.198 17.769 -2.820 1.00 0.00 H new ATOM 146 N ASP A 9 -0.965 21.437 -3.698 1.00 0.00 N ATOM 147 CA ASP A 9 -0.373 22.607 -4.423 1.00 0.00 C ATOM 148 C ASP A 9 -0.961 22.667 -5.831 1.00 0.00 C ATOM 149 O ASP A 9 -0.241 22.660 -6.810 1.00 0.00 O ATOM 150 CB ASP A 9 1.140 22.410 -4.528 1.00 0.00 C ATOM 151 CG ASP A 9 1.432 21.084 -5.233 1.00 0.00 C ATOM 152 OD1 ASP A 9 0.586 20.208 -5.178 1.00 0.00 O ATOM 153 OD2 ASP A 9 2.497 20.968 -5.817 1.00 0.00 O ATOM 0 H ASP A 9 -0.898 20.549 -4.195 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.595 23.529 -3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.588 23.235 -5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.588 22.413 -3.534 1.00 0.00 H new ATOM 158 N GLY A 10 -2.259 22.696 -5.952 1.00 0.00 N ATOM 159 CA GLY A 10 -2.874 22.721 -7.308 1.00 0.00 C ATOM 160 C GLY A 10 -2.913 21.289 -7.843 1.00 0.00 C ATOM 161 O GLY A 10 -2.224 20.954 -8.784 1.00 0.00 O ATOM 0 H GLY A 10 -2.918 22.703 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.881 23.136 -7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.296 23.360 -7.975 1.00 0.00 H new ATOM 165 N LEU A 11 -3.733 20.458 -7.249 1.00 0.00 N ATOM 166 CA LEU A 11 -3.866 19.031 -7.689 1.00 0.00 C ATOM 167 C LEU A 11 -2.487 18.359 -7.807 1.00 0.00 C ATOM 168 O LEU A 11 -1.625 18.785 -8.549 1.00 0.00 O ATOM 169 CB LEU A 11 -4.597 18.966 -9.037 1.00 0.00 C ATOM 170 CG LEU A 11 -6.106 19.180 -8.838 1.00 0.00 C ATOM 171 CD1 LEU A 11 -6.351 20.420 -7.969 1.00 0.00 C ATOM 172 CD2 LEU A 11 -6.768 19.386 -10.203 1.00 0.00 C ATOM 0 H LEU A 11 -4.329 20.713 -6.461 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.444 18.494 -6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.201 19.726 -9.710 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.419 17.999 -9.508 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.530 18.306 -8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.423 20.563 -7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.878 20.282 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.927 21.297 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.839 19.538 -10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.335 20.260 -10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.602 18.506 -10.824 1.00 0.00 H new ATOM 184 N ASP A 12 -2.284 17.288 -7.077 1.00 0.00 N ATOM 185 CA ASP A 12 -0.977 16.557 -7.129 1.00 0.00 C ATOM 186 C ASP A 12 -1.233 15.040 -7.200 1.00 0.00 C ATOM 187 O ASP A 12 -0.971 14.335 -6.247 1.00 0.00 O ATOM 188 CB ASP A 12 -0.179 16.871 -5.861 1.00 0.00 C ATOM 189 CG ASP A 12 1.218 16.256 -5.970 1.00 0.00 C ATOM 190 OD1 ASP A 12 1.623 15.949 -7.078 1.00 0.00 O ATOM 191 OD2 ASP A 12 1.858 16.104 -4.943 1.00 0.00 O ATOM 0 H ASP A 12 -2.973 16.886 -6.442 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.419 16.872 -8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.103 17.950 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.695 16.475 -4.987 1.00 0.00 H new ATOM 196 N PRO A 13 -1.742 14.575 -8.326 1.00 0.00 N ATOM 197 CA PRO A 13 -2.034 13.136 -8.509 1.00 0.00 C ATOM 198 C PRO A 13 -0.737 12.318 -8.405 1.00 0.00 C ATOM 199 O PRO A 13 -0.720 11.227 -7.870 1.00 0.00 O ATOM 200 CB PRO A 13 -2.652 13.033 -9.926 1.00 0.00 C ATOM 201 CG PRO A 13 -2.713 14.472 -10.518 1.00 0.00 C ATOM 202 CD PRO A 13 -2.066 15.428 -9.490 1.00 0.00 C ATOM 0 HA PRO A 13 -2.709 12.743 -7.749 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.049 12.383 -10.560 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.649 12.596 -9.878 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.183 14.517 -11.469 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.745 14.762 -10.714 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.170 15.898 -9.897 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.749 16.231 -9.213 1.00 0.00 H new ATOM 210 N ASN A 14 0.345 12.849 -8.915 1.00 0.00 N ATOM 211 CA ASN A 14 1.657 12.136 -8.865 1.00 0.00 C ATOM 212 C ASN A 14 2.590 12.906 -7.940 1.00 0.00 C ATOM 213 O ASN A 14 3.280 13.817 -8.353 1.00 0.00 O ATOM 214 CB ASN A 14 2.264 12.086 -10.269 1.00 0.00 C ATOM 215 CG ASN A 14 1.276 11.429 -11.234 1.00 0.00 C ATOM 216 OD1 ASN A 14 0.429 10.546 -10.781 1.00 0.00 O flip ATOM 217 ND2 ASN A 14 1.274 11.723 -12.414 1.00 0.00 N flip ATOM 0 H ASN A 14 0.375 13.761 -9.371 1.00 0.00 H new ATOM 0 HA ASN A 14 1.517 11.119 -8.498 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.503 13.094 -10.608 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.198 11.525 -10.252 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.936 12.413 -12.769 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.610 11.279 -13.049 1.00 0.00 H new ATOM 224 N ARG A 15 2.622 12.547 -6.692 1.00 0.00 N ATOM 225 CA ARG A 15 3.515 13.255 -5.735 1.00 0.00 C ATOM 226 C ARG A 15 4.968 13.095 -6.183 1.00 0.00 C ATOM 227 O ARG A 15 5.795 13.956 -5.958 1.00 0.00 O ATOM 228 CB ARG A 15 3.344 12.654 -4.337 1.00 0.00 C ATOM 229 CG ARG A 15 1.951 12.991 -3.800 1.00 0.00 C ATOM 230 CD ARG A 15 1.692 12.195 -2.519 1.00 0.00 C ATOM 231 NE ARG A 15 2.830 12.386 -1.576 1.00 0.00 N ATOM 232 CZ ARG A 15 2.701 12.053 -0.321 1.00 0.00 C ATOM 233 NH1 ARG A 15 1.574 11.553 0.110 1.00 0.00 N ATOM 234 NH2 ARG A 15 3.699 12.220 0.504 1.00 0.00 N ATOM 0 H ARG A 15 2.067 11.791 -6.290 1.00 0.00 H new ATOM 0 HA ARG A 15 3.255 14.313 -5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.478 11.573 -4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.108 13.046 -3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.876 14.060 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.194 12.754 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.762 12.525 -2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.574 11.137 -2.753 1.00 0.00 H new ATOM 0 HE ARG A 15 3.710 12.777 -1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.794 11.423 -0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.474 11.293 1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.579 12.611 0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.599 11.960 1.485 1.00 0.00 H new ATOM 248 N PHE A 16 5.288 11.998 -6.816 1.00 0.00 N ATOM 249 CA PHE A 16 6.691 11.790 -7.274 1.00 0.00 C ATOM 250 C PHE A 16 6.751 10.619 -8.259 1.00 0.00 C ATOM 251 O PHE A 16 6.979 10.802 -9.439 1.00 0.00 O ATOM 252 CB PHE A 16 7.580 11.486 -6.067 1.00 0.00 C ATOM 253 CG PHE A 16 9.005 11.298 -6.528 1.00 0.00 C ATOM 254 CD1 PHE A 16 9.811 12.415 -6.780 1.00 0.00 C ATOM 255 CD2 PHE A 16 9.521 10.010 -6.705 1.00 0.00 C ATOM 256 CE1 PHE A 16 11.133 12.244 -7.208 1.00 0.00 C ATOM 257 CE2 PHE A 16 10.843 9.837 -7.133 1.00 0.00 C ATOM 258 CZ PHE A 16 11.649 10.955 -7.385 1.00 0.00 C ATOM 0 H PHE A 16 4.641 11.240 -7.035 1.00 0.00 H new ATOM 0 HA PHE A 16 7.043 12.694 -7.771 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.524 12.301 -5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.229 10.587 -5.560 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.412 13.410 -6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.899 9.148 -6.511 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.754 13.106 -7.401 1.00 0.00 H new ATOM 0 HE2 PHE A 16 11.241 8.842 -7.269 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.668 10.822 -7.716 1.00 0.00 H new ATOM 268 N ASN A 17 6.558 9.417 -7.786 1.00 0.00 N ATOM 269 CA ASN A 17 6.617 8.241 -8.701 1.00 0.00 C ATOM 270 C ASN A 17 6.017 7.006 -8.003 1.00 0.00 C ATOM 271 O ASN A 17 6.754 6.159 -7.539 1.00 0.00 O ATOM 272 CB ASN A 17 8.079 7.955 -9.054 1.00 0.00 C ATOM 273 CG ASN A 17 8.129 6.983 -10.250 1.00 0.00 C ATOM 274 OD1 ASN A 17 7.097 6.578 -10.743 1.00 0.00 O ATOM 275 ND2 ASN A 17 9.281 6.584 -10.747 1.00 0.00 N ATOM 0 H ASN A 17 6.363 9.199 -6.809 1.00 0.00 H new ATOM 0 HA ASN A 17 6.048 8.457 -9.605 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.594 8.883 -9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.595 7.523 -8.197 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.300 5.941 -11.539 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.155 6.918 -10.341 1.00 0.00 H new ATOM 282 N PRO A 18 4.703 6.930 -7.935 1.00 0.00 N ATOM 283 CA PRO A 18 4.032 5.789 -7.279 1.00 0.00 C ATOM 284 C PRO A 18 4.414 4.474 -7.983 1.00 0.00 C ATOM 285 O PRO A 18 4.206 3.394 -7.464 1.00 0.00 O ATOM 286 CB PRO A 18 2.519 6.092 -7.403 1.00 0.00 C ATOM 287 CG PRO A 18 2.378 7.501 -8.052 1.00 0.00 C ATOM 288 CD PRO A 18 3.789 7.952 -8.491 1.00 0.00 C ATOM 0 HA PRO A 18 4.324 5.668 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.025 5.337 -8.014 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.042 6.071 -6.423 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.704 7.464 -8.908 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.952 8.210 -7.342 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.868 8.004 -9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.025 8.944 -8.106 1.00 0.00 H new ATOM 296 N LYS A 19 4.970 4.569 -9.157 1.00 0.00 N ATOM 297 CA LYS A 19 5.374 3.350 -9.914 1.00 0.00 C ATOM 298 C LYS A 19 6.322 2.470 -9.084 1.00 0.00 C ATOM 299 O LYS A 19 6.212 1.259 -9.091 1.00 0.00 O ATOM 300 CB LYS A 19 6.104 3.783 -11.189 1.00 0.00 C ATOM 301 CG LYS A 19 6.349 2.561 -12.075 1.00 0.00 C ATOM 302 CD LYS A 19 6.893 3.012 -13.432 1.00 0.00 C ATOM 303 CE LYS A 19 7.218 1.784 -14.286 1.00 0.00 C ATOM 304 NZ LYS A 19 6.035 0.880 -14.327 1.00 0.00 N ATOM 0 H LYS A 19 5.165 5.451 -9.632 1.00 0.00 H new ATOM 0 HA LYS A 19 4.478 2.775 -10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.511 4.523 -11.727 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.052 4.258 -10.935 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.057 1.886 -11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.421 2.005 -12.210 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.159 3.638 -13.940 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.788 3.619 -13.293 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.489 2.092 -15.296 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.078 1.257 -13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.006 0.388 -15.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.106 0.181 -13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.166 1.439 -14.207 1.00 0.00 H new ATOM 318 N THR A 20 7.272 3.050 -8.392 1.00 0.00 N ATOM 319 CA THR A 20 8.223 2.218 -7.613 1.00 0.00 C ATOM 320 C THR A 20 7.515 1.559 -6.424 1.00 0.00 C ATOM 321 O THR A 20 7.751 0.409 -6.115 1.00 0.00 O ATOM 322 CB THR A 20 9.376 3.090 -7.118 1.00 0.00 C ATOM 323 OG1 THR A 20 10.108 3.588 -8.230 1.00 0.00 O ATOM 324 CG2 THR A 20 10.292 2.253 -6.235 1.00 0.00 C ATOM 0 H THR A 20 7.425 4.057 -8.337 1.00 0.00 H new ATOM 0 HA THR A 20 8.614 1.431 -8.258 1.00 0.00 H new ATOM 0 HB THR A 20 8.982 3.929 -6.544 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.846 4.148 -7.911 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.117 2.870 -5.879 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.728 1.873 -5.383 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.687 1.416 -6.811 1.00 0.00 H new ATOM 332 N PHE A 21 6.650 2.269 -5.755 1.00 0.00 N ATOM 333 CA PHE A 21 5.941 1.658 -4.594 1.00 0.00 C ATOM 334 C PHE A 21 5.266 0.368 -5.082 1.00 0.00 C ATOM 335 O PHE A 21 5.160 -0.604 -4.361 1.00 0.00 O ATOM 336 CB PHE A 21 4.905 2.678 -4.044 1.00 0.00 C ATOM 337 CG PHE A 21 3.612 2.001 -3.632 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.647 1.701 -4.601 1.00 0.00 C ATOM 339 CD2 PHE A 21 3.379 1.684 -2.289 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.449 1.081 -4.229 1.00 0.00 C ATOM 341 CE2 PHE A 21 2.179 1.065 -1.915 1.00 0.00 C ATOM 342 CZ PHE A 21 1.214 0.764 -2.885 1.00 0.00 C ATOM 0 H PHE A 21 6.404 3.238 -5.959 1.00 0.00 H new ATOM 0 HA PHE A 21 6.628 1.412 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.330 3.202 -3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.695 3.429 -4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.827 1.948 -5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.123 1.916 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.706 0.847 -4.977 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.998 0.820 -0.879 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.289 0.287 -2.596 1.00 0.00 H new ATOM 352 N PHE A 22 4.819 0.360 -6.303 1.00 0.00 N ATOM 353 CA PHE A 22 4.158 -0.852 -6.857 1.00 0.00 C ATOM 354 C PHE A 22 5.193 -1.972 -7.052 1.00 0.00 C ATOM 355 O PHE A 22 4.897 -3.140 -6.875 1.00 0.00 O ATOM 356 CB PHE A 22 3.522 -0.492 -8.205 1.00 0.00 C ATOM 357 CG PHE A 22 2.582 -1.593 -8.633 1.00 0.00 C ATOM 358 CD1 PHE A 22 3.063 -2.675 -9.377 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.227 -1.527 -8.287 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.191 -3.694 -9.776 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.354 -2.546 -8.685 1.00 0.00 C ATOM 362 CZ PHE A 22 0.836 -3.629 -9.430 1.00 0.00 C ATOM 0 H PHE A 22 4.883 1.148 -6.948 1.00 0.00 H new ATOM 0 HA PHE A 22 3.391 -1.202 -6.166 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.980 0.450 -8.123 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.297 -0.349 -8.958 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.108 -2.724 -9.644 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.856 -0.691 -7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.563 -4.530 -10.350 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.691 -2.497 -8.418 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.162 -4.415 -9.738 1.00 0.00 H new ATOM 372 N ILE A 23 6.407 -1.633 -7.412 1.00 0.00 N ATOM 373 CA ILE A 23 7.437 -2.684 -7.615 1.00 0.00 C ATOM 374 C ILE A 23 7.800 -3.296 -6.263 1.00 0.00 C ATOM 375 O ILE A 23 7.647 -4.482 -6.048 1.00 0.00 O ATOM 376 CB ILE A 23 8.675 -2.054 -8.253 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.315 -1.537 -9.652 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.774 -3.107 -8.361 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.484 -0.734 -10.232 1.00 0.00 C ATOM 0 H ILE A 23 6.723 -0.676 -7.572 1.00 0.00 H new ATOM 0 HA ILE A 23 7.052 -3.465 -8.271 1.00 0.00 H new ATOM 0 HB ILE A 23 9.027 -1.224 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.078 -2.375 -10.308 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.424 -0.911 -9.599 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.660 -2.663 -8.816 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.023 -3.476 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.425 -3.935 -8.979 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.219 -0.371 -11.225 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.701 0.114 -9.582 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.365 -1.372 -10.302 1.00 0.00 H new ATOM 391 N LEU A 24 8.286 -2.497 -5.355 1.00 0.00 N ATOM 392 CA LEU A 24 8.667 -3.034 -4.014 1.00 0.00 C ATOM 393 C LEU A 24 7.573 -3.985 -3.479 1.00 0.00 C ATOM 394 O LEU A 24 7.879 -4.978 -2.847 1.00 0.00 O ATOM 395 CB LEU A 24 8.868 -1.859 -3.036 1.00 0.00 C ATOM 396 CG LEU A 24 9.871 -2.245 -1.925 1.00 0.00 C ATOM 397 CD1 LEU A 24 11.310 -2.009 -2.405 1.00 0.00 C ATOM 398 CD2 LEU A 24 9.622 -1.391 -0.675 1.00 0.00 C ATOM 0 H LEU A 24 8.437 -1.496 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 24 9.595 -3.598 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.234 -0.986 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.913 -1.581 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 24 9.732 -3.300 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.007 -2.284 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.504 -2.618 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.442 -0.956 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.333 -1.669 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.749 -0.337 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.607 -1.559 -0.316 1.00 0.00 H new ATOM 410 N HIS A 25 6.310 -3.716 -3.719 1.00 0.00 N ATOM 411 CA HIS A 25 5.253 -4.638 -3.210 1.00 0.00 C ATOM 412 C HIS A 25 5.114 -5.833 -4.157 1.00 0.00 C ATOM 413 O HIS A 25 4.484 -6.819 -3.833 1.00 0.00 O ATOM 414 CB HIS A 25 3.916 -3.899 -3.122 1.00 0.00 C ATOM 415 CG HIS A 25 4.049 -2.729 -2.189 1.00 0.00 C ATOM 416 ND1 HIS A 25 4.641 -2.844 -0.940 1.00 0.00 N ATOM 417 CD2 HIS A 25 3.670 -1.417 -2.306 1.00 0.00 C ATOM 418 CE1 HIS A 25 4.600 -1.631 -0.360 1.00 0.00 C ATOM 419 NE2 HIS A 25 4.019 -0.723 -1.150 1.00 0.00 N ATOM 0 H HIS A 25 5.972 -2.907 -4.240 1.00 0.00 H new ATOM 0 HA HIS A 25 5.535 -4.990 -2.218 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.612 -3.556 -4.111 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.138 -4.574 -2.766 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.176 -0.987 -3.164 1.00 0.00 H new ATOM 0 HE1 HIS A 25 4.989 -1.417 0.624 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.864 0.265 -0.950 1.00 0.00 H new ATOM 427 N ASP A 26 5.709 -5.765 -5.321 1.00 0.00 N ATOM 428 CA ASP A 26 5.611 -6.918 -6.267 1.00 0.00 C ATOM 429 C ASP A 26 6.617 -7.994 -5.841 1.00 0.00 C ATOM 430 O ASP A 26 7.763 -7.980 -6.245 1.00 0.00 O ATOM 431 CB ASP A 26 5.934 -6.449 -7.687 1.00 0.00 C ATOM 432 CG ASP A 26 4.887 -5.431 -8.140 1.00 0.00 C ATOM 433 OD1 ASP A 26 3.901 -5.272 -7.439 1.00 0.00 O ATOM 434 OD2 ASP A 26 5.089 -4.827 -9.180 1.00 0.00 O ATOM 0 H ASP A 26 6.253 -4.970 -5.655 1.00 0.00 H new ATOM 0 HA ASP A 26 4.600 -7.326 -6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.928 -6.002 -7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.947 -7.300 -8.368 1.00 0.00 H new ATOM 439 N ILE A 27 6.203 -8.910 -5.009 1.00 0.00 N ATOM 440 CA ILE A 27 7.126 -9.969 -4.530 1.00 0.00 C ATOM 441 C ILE A 27 7.357 -11.025 -5.617 1.00 0.00 C ATOM 442 O ILE A 27 8.483 -11.342 -5.948 1.00 0.00 O ATOM 443 CB ILE A 27 6.496 -10.613 -3.298 1.00 0.00 C ATOM 444 CG1 ILE A 27 6.082 -9.514 -2.316 1.00 0.00 C ATOM 445 CG2 ILE A 27 7.496 -11.537 -2.618 1.00 0.00 C ATOM 446 CD1 ILE A 27 5.533 -10.149 -1.037 1.00 0.00 C ATOM 0 H ILE A 27 5.254 -8.968 -4.639 1.00 0.00 H new ATOM 0 HA ILE A 27 8.095 -9.534 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 27 5.625 -11.193 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.938 -8.881 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.326 -8.873 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.034 -11.990 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.799 -12.320 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.371 -10.964 -2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.239 -9.365 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.666 -10.764 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.303 -10.771 -0.580 1.00 0.00 H new ATOM 458 N ASN A 28 6.314 -11.581 -6.173 1.00 0.00 N ATOM 459 CA ASN A 28 6.501 -12.622 -7.230 1.00 0.00 C ATOM 460 C ASN A 28 6.641 -11.954 -8.600 1.00 0.00 C ATOM 461 O ASN A 28 6.620 -12.612 -9.621 1.00 0.00 O ATOM 462 CB ASN A 28 5.300 -13.571 -7.242 1.00 0.00 C ATOM 463 CG ASN A 28 5.103 -14.164 -5.844 1.00 0.00 C ATOM 464 OD1 ASN A 28 5.939 -13.852 -4.888 1.00 0.00 O flip ATOM 465 ND2 ASN A 28 4.180 -14.921 -5.619 1.00 0.00 N flip ATOM 0 H ASN A 28 5.344 -11.362 -5.944 1.00 0.00 H new ATOM 0 HA ASN A 28 7.406 -13.189 -7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.403 -13.035 -7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.460 -14.368 -7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.527 -15.165 -6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.058 -15.313 -4.685 1.00 0.00 H new ATOM 472 N SER A 29 6.806 -10.660 -8.630 1.00 0.00 N ATOM 473 CA SER A 29 6.970 -9.952 -9.934 1.00 0.00 C ATOM 474 C SER A 29 5.965 -10.478 -10.961 1.00 0.00 C ATOM 475 O SER A 29 6.325 -10.851 -12.060 1.00 0.00 O ATOM 476 CB SER A 29 8.387 -10.177 -10.454 1.00 0.00 C ATOM 477 OG SER A 29 8.475 -11.469 -11.039 1.00 0.00 O ATOM 0 H SER A 29 6.835 -10.060 -7.806 1.00 0.00 H new ATOM 0 HA SER A 29 6.792 -8.888 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.642 -9.414 -11.190 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.104 -10.085 -9.639 1.00 0.00 H new ATOM 0 HG SER A 29 7.966 -11.485 -11.876 1.00 0.00 H new ATOM 483 N ASP A 30 4.703 -10.497 -10.622 1.00 0.00 N ATOM 484 CA ASP A 30 3.672 -10.982 -11.588 1.00 0.00 C ATOM 485 C ASP A 30 3.093 -9.772 -12.321 1.00 0.00 C ATOM 486 O ASP A 30 2.258 -9.895 -13.195 1.00 0.00 O ATOM 487 CB ASP A 30 2.556 -11.700 -10.824 1.00 0.00 C ATOM 488 CG ASP A 30 1.533 -12.256 -11.816 1.00 0.00 C ATOM 489 OD1 ASP A 30 0.712 -11.485 -12.285 1.00 0.00 O ATOM 490 OD2 ASP A 30 1.587 -13.444 -12.089 1.00 0.00 O ATOM 0 H ASP A 30 4.341 -10.197 -9.717 1.00 0.00 H new ATOM 0 HA ASP A 30 4.119 -11.675 -12.301 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.974 -12.509 -10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.071 -11.010 -10.134 1.00 0.00 H new ATOM 495 N GLY A 31 3.540 -8.601 -11.959 1.00 0.00 N ATOM 496 CA GLY A 31 3.037 -7.360 -12.609 1.00 0.00 C ATOM 497 C GLY A 31 1.648 -7.019 -12.065 1.00 0.00 C ATOM 498 O GLY A 31 1.073 -6.007 -12.415 1.00 0.00 O ATOM 0 H GLY A 31 4.240 -8.451 -11.232 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.724 -6.535 -12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.991 -7.497 -13.689 1.00 0.00 H new ATOM 502 N VAL A 32 1.114 -7.838 -11.188 1.00 0.00 N ATOM 503 CA VAL A 32 -0.232 -7.538 -10.595 1.00 0.00 C ATOM 504 C VAL A 32 -0.231 -7.986 -9.125 1.00 0.00 C ATOM 505 O VAL A 32 0.618 -8.754 -8.714 1.00 0.00 O ATOM 506 CB VAL A 32 -1.345 -8.267 -11.394 1.00 0.00 C ATOM 507 CG1 VAL A 32 -0.933 -8.390 -12.863 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.613 -9.670 -10.823 1.00 0.00 C ATOM 0 H VAL A 32 1.550 -8.699 -10.858 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.433 -6.468 -10.647 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.259 -7.679 -11.311 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.718 -8.903 -13.419 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.781 -7.396 -13.283 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.006 -8.960 -12.935 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.397 -10.155 -11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.701 -10.265 -10.876 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.931 -9.585 -9.784 1.00 0.00 H new ATOM 518 N LEU A 33 -1.191 -7.548 -8.344 1.00 0.00 N ATOM 519 CA LEU A 33 -1.269 -7.991 -6.893 1.00 0.00 C ATOM 520 C LEU A 33 -2.631 -8.673 -6.675 1.00 0.00 C ATOM 521 O LEU A 33 -3.664 -8.104 -6.969 1.00 0.00 O ATOM 522 CB LEU A 33 -1.107 -6.777 -5.920 1.00 0.00 C ATOM 523 CG LEU A 33 0.305 -6.750 -5.298 1.00 0.00 C ATOM 524 CD1 LEU A 33 1.396 -6.919 -6.381 1.00 0.00 C ATOM 525 CD2 LEU A 33 0.498 -5.407 -4.577 1.00 0.00 C ATOM 0 H LEU A 33 -1.926 -6.905 -8.637 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.457 -8.686 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.288 -5.847 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.855 -6.838 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 33 0.398 -7.578 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.380 -6.896 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.259 -7.873 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.319 -6.107 -7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.492 -5.373 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.392 -4.591 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.254 -5.303 -3.795 1.00 0.00 H new ATOM 537 N ASP A 34 -2.645 -9.890 -6.173 1.00 0.00 N ATOM 538 CA ASP A 34 -3.946 -10.612 -5.951 1.00 0.00 C ATOM 539 C ASP A 34 -4.257 -10.697 -4.452 1.00 0.00 C ATOM 540 O ASP A 34 -3.544 -10.171 -3.625 1.00 0.00 O ATOM 541 CB ASP A 34 -3.860 -12.027 -6.533 1.00 0.00 C ATOM 542 CG ASP A 34 -2.719 -12.791 -5.864 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.579 -12.407 -6.064 1.00 0.00 O ATOM 544 OD2 ASP A 34 -3.004 -13.748 -5.162 1.00 0.00 O ATOM 0 H ASP A 34 -1.812 -10.415 -5.907 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.742 -10.059 -6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.802 -12.552 -6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.696 -11.978 -7.609 1.00 0.00 H new ATOM 549 N GLU A 35 -5.331 -11.358 -4.111 1.00 0.00 N ATOM 550 CA GLU A 35 -5.734 -11.491 -2.677 1.00 0.00 C ATOM 551 C GLU A 35 -4.639 -12.183 -1.860 1.00 0.00 C ATOM 552 O GLU A 35 -4.670 -12.165 -0.646 1.00 0.00 O ATOM 553 CB GLU A 35 -7.023 -12.309 -2.589 1.00 0.00 C ATOM 554 CG GLU A 35 -8.211 -11.445 -3.017 1.00 0.00 C ATOM 555 CD GLU A 35 -9.470 -12.311 -3.094 1.00 0.00 C ATOM 556 OE1 GLU A 35 -9.531 -13.156 -3.971 1.00 0.00 O ATOM 557 OE2 GLU A 35 -10.352 -12.112 -2.274 1.00 0.00 O ATOM 0 H GLU A 35 -5.956 -11.818 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.891 -10.493 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.951 -13.189 -3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.169 -12.667 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.359 -10.633 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.011 -10.988 -3.986 1.00 0.00 H new ATOM 564 N GLN A 36 -3.671 -12.786 -2.488 1.00 0.00 N ATOM 565 CA GLN A 36 -2.599 -13.456 -1.695 1.00 0.00 C ATOM 566 C GLN A 36 -1.576 -12.404 -1.235 1.00 0.00 C ATOM 567 O GLN A 36 -0.939 -12.556 -0.209 1.00 0.00 O ATOM 568 CB GLN A 36 -1.932 -14.563 -2.544 1.00 0.00 C ATOM 569 CG GLN A 36 -0.819 -14.000 -3.446 1.00 0.00 C ATOM 570 CD GLN A 36 0.480 -13.833 -2.647 1.00 0.00 C ATOM 571 OE1 GLN A 36 0.494 -14.095 -1.369 1.00 0.00 O flip ATOM 572 NE2 GLN A 36 1.498 -13.463 -3.198 1.00 0.00 N flip ATOM 0 H GLN A 36 -3.573 -12.846 -3.502 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.027 -13.928 -0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.515 -15.325 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.686 -15.053 -3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.652 -14.670 -4.290 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.127 -13.039 -3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.491 -13.257 -4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.359 -13.358 -2.661 1.00 0.00 H new ATOM 581 N GLU A 37 -1.424 -11.328 -1.971 1.00 0.00 N ATOM 582 CA GLU A 37 -0.446 -10.280 -1.556 1.00 0.00 C ATOM 583 C GLU A 37 -1.098 -9.342 -0.537 1.00 0.00 C ATOM 584 O GLU A 37 -0.466 -8.918 0.407 1.00 0.00 O ATOM 585 CB GLU A 37 0.027 -9.483 -2.785 1.00 0.00 C ATOM 586 CG GLU A 37 1.080 -10.291 -3.548 1.00 0.00 C ATOM 587 CD GLU A 37 2.380 -10.324 -2.743 1.00 0.00 C ATOM 588 OE1 GLU A 37 2.793 -9.274 -2.278 1.00 0.00 O ATOM 589 OE2 GLU A 37 2.941 -11.398 -2.606 1.00 0.00 O ATOM 0 H GLU A 37 -1.932 -11.134 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 37 0.419 -10.759 -1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.819 -9.263 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.445 -8.526 -2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.721 -11.306 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.257 -9.845 -4.527 1.00 0.00 H new ATOM 596 N LEU A 38 -2.360 -9.027 -0.693 1.00 0.00 N ATOM 597 CA LEU A 38 -3.021 -8.135 0.302 1.00 0.00 C ATOM 598 C LEU A 38 -3.301 -8.946 1.570 1.00 0.00 C ATOM 599 O LEU A 38 -3.276 -8.422 2.665 1.00 0.00 O ATOM 600 CB LEU A 38 -4.340 -7.570 -0.272 1.00 0.00 C ATOM 601 CG LEU A 38 -4.246 -7.399 -1.803 1.00 0.00 C ATOM 602 CD1 LEU A 38 -5.532 -6.749 -2.336 1.00 0.00 C ATOM 603 CD2 LEU A 38 -3.051 -6.510 -2.186 1.00 0.00 C ATOM 0 H LEU A 38 -2.954 -9.346 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.367 -7.294 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.164 -8.240 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.561 -6.609 0.192 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.112 -8.387 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.459 -6.631 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.386 -7.383 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.665 -5.771 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.008 -6.406 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.169 -5.526 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.128 -6.967 -1.828 1.00 0.00 H new ATOM 615 N GLU A 39 -3.537 -10.222 1.441 1.00 0.00 N ATOM 616 CA GLU A 39 -3.784 -11.050 2.642 1.00 0.00 C ATOM 617 C GLU A 39 -2.532 -11.002 3.519 1.00 0.00 C ATOM 618 O GLU A 39 -2.606 -10.825 4.719 1.00 0.00 O ATOM 619 CB GLU A 39 -4.069 -12.486 2.193 1.00 0.00 C ATOM 620 CG GLU A 39 -4.067 -13.429 3.394 1.00 0.00 C ATOM 621 CD GLU A 39 -5.001 -12.890 4.481 1.00 0.00 C ATOM 622 OE1 GLU A 39 -6.200 -13.067 4.345 1.00 0.00 O ATOM 623 OE2 GLU A 39 -4.501 -12.308 5.429 1.00 0.00 O ATOM 0 H GLU A 39 -3.568 -10.723 0.553 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.638 -10.680 3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.034 -12.531 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.317 -12.804 1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.389 -14.424 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.055 -13.528 3.788 1.00 0.00 H new ATOM 630 N ALA A 40 -1.381 -11.161 2.925 1.00 0.00 N ATOM 631 CA ALA A 40 -0.117 -11.130 3.714 1.00 0.00 C ATOM 632 C ALA A 40 0.223 -9.694 4.140 1.00 0.00 C ATOM 633 O ALA A 40 0.871 -9.478 5.143 1.00 0.00 O ATOM 634 CB ALA A 40 1.017 -11.687 2.868 1.00 0.00 C ATOM 0 H ALA A 40 -1.261 -11.312 1.923 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.249 -11.737 4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.943 -11.666 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.789 -12.715 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.133 -11.080 1.970 1.00 0.00 H new ATOM 640 N LEU A 41 -0.188 -8.710 3.381 1.00 0.00 N ATOM 641 CA LEU A 41 0.144 -7.299 3.752 1.00 0.00 C ATOM 642 C LEU A 41 -0.715 -6.844 4.948 1.00 0.00 C ATOM 643 O LEU A 41 -0.314 -5.986 5.711 1.00 0.00 O ATOM 644 CB LEU A 41 -0.092 -6.375 2.527 1.00 0.00 C ATOM 645 CG LEU A 41 1.046 -5.353 2.390 1.00 0.00 C ATOM 646 CD1 LEU A 41 0.846 -4.537 1.111 1.00 0.00 C ATOM 647 CD2 LEU A 41 1.040 -4.413 3.597 1.00 0.00 C ATOM 0 H LEU A 41 -0.735 -8.820 2.527 1.00 0.00 H new ATOM 0 HA LEU A 41 1.192 -7.240 4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.159 -6.976 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.044 -5.855 2.636 1.00 0.00 H new ATOM 0 HG LEU A 41 2.000 -5.878 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.653 -3.811 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.851 -5.204 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.109 -4.014 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.848 -3.688 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.086 -3.888 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.181 -4.992 4.510 1.00 0.00 H new ATOM 659 N PHE A 42 -1.885 -7.403 5.127 1.00 0.00 N ATOM 660 CA PHE A 42 -2.734 -6.972 6.283 1.00 0.00 C ATOM 661 C PHE A 42 -2.251 -7.685 7.549 1.00 0.00 C ATOM 662 O PHE A 42 -2.032 -7.068 8.571 1.00 0.00 O ATOM 663 CB PHE A 42 -4.222 -7.310 6.036 1.00 0.00 C ATOM 664 CG PHE A 42 -4.757 -6.556 4.817 1.00 0.00 C ATOM 665 CD1 PHE A 42 -4.650 -5.152 4.737 1.00 0.00 C ATOM 666 CD2 PHE A 42 -5.345 -7.263 3.749 1.00 0.00 C ATOM 667 CE1 PHE A 42 -5.115 -4.476 3.603 1.00 0.00 C ATOM 668 CE2 PHE A 42 -5.814 -6.577 2.625 1.00 0.00 C ATOM 669 CZ PHE A 42 -5.694 -5.188 2.550 1.00 0.00 C ATOM 0 H PHE A 42 -2.286 -8.129 4.533 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.645 -5.892 6.399 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.335 -8.383 5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.809 -7.050 6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.209 -4.598 5.552 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.434 -8.338 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.026 -3.401 3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.270 -7.123 1.812 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.050 -4.663 1.676 1.00 0.00 H new ATOM 679 N THR A 43 -2.091 -8.979 7.494 1.00 0.00 N ATOM 680 CA THR A 43 -1.638 -9.736 8.696 1.00 0.00 C ATOM 681 C THR A 43 -0.271 -9.233 9.186 1.00 0.00 C ATOM 682 O THR A 43 -0.101 -8.911 10.345 1.00 0.00 O ATOM 683 CB THR A 43 -1.528 -11.221 8.334 1.00 0.00 C ATOM 684 OG1 THR A 43 -2.824 -11.732 8.051 1.00 0.00 O ATOM 685 CG2 THR A 43 -0.917 -12.001 9.501 1.00 0.00 C ATOM 0 H THR A 43 -2.256 -9.548 6.663 1.00 0.00 H new ATOM 0 HA THR A 43 -2.364 -9.588 9.495 1.00 0.00 H new ATOM 0 HB THR A 43 -0.888 -11.331 7.458 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.970 -11.735 7.082 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.843 -13.055 9.235 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.077 -11.611 9.719 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.550 -11.893 10.382 1.00 0.00 H new ATOM 693 N LYS A 44 0.711 -9.208 8.328 1.00 0.00 N ATOM 694 CA LYS A 44 2.074 -8.778 8.767 1.00 0.00 C ATOM 695 C LYS A 44 2.079 -7.332 9.282 1.00 0.00 C ATOM 696 O LYS A 44 2.626 -7.046 10.327 1.00 0.00 O ATOM 697 CB LYS A 44 3.060 -8.920 7.597 1.00 0.00 C ATOM 698 CG LYS A 44 2.884 -7.764 6.602 1.00 0.00 C ATOM 699 CD LYS A 44 3.611 -8.093 5.296 1.00 0.00 C ATOM 700 CE LYS A 44 5.081 -8.407 5.587 1.00 0.00 C ATOM 701 NZ LYS A 44 5.869 -8.299 4.326 1.00 0.00 N ATOM 0 H LYS A 44 0.632 -9.465 7.344 1.00 0.00 H new ATOM 0 HA LYS A 44 2.380 -9.422 9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.082 -8.930 7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.898 -9.871 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.825 -7.597 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.280 -6.842 7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.137 -8.945 4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.539 -7.252 4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.471 -7.715 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.175 -9.410 6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.868 -8.512 4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.501 -8.976 3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.788 -7.334 3.948 1.00 0.00 H new ATOM 715 N GLU A 45 1.497 -6.412 8.570 1.00 0.00 N ATOM 716 CA GLU A 45 1.513 -5.004 9.060 1.00 0.00 C ATOM 717 C GLU A 45 0.928 -4.958 10.476 1.00 0.00 C ATOM 718 O GLU A 45 1.232 -4.075 11.254 1.00 0.00 O ATOM 719 CB GLU A 45 0.691 -4.108 8.117 1.00 0.00 C ATOM 720 CG GLU A 45 1.573 -3.604 6.967 1.00 0.00 C ATOM 721 CD GLU A 45 2.478 -2.476 7.471 1.00 0.00 C ATOM 722 OE1 GLU A 45 1.947 -1.477 7.927 1.00 0.00 O ATOM 723 OE2 GLU A 45 3.685 -2.632 7.391 1.00 0.00 O ATOM 0 H GLU A 45 1.017 -6.567 7.683 1.00 0.00 H new ATOM 0 HA GLU A 45 2.539 -4.636 9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.156 -4.667 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.283 -3.262 8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.178 -4.421 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.950 -3.246 6.147 1.00 0.00 H new ATOM 730 N LEU A 46 0.080 -5.892 10.813 1.00 0.00 N ATOM 731 CA LEU A 46 -0.533 -5.888 12.174 1.00 0.00 C ATOM 732 C LEU A 46 0.409 -6.538 13.197 1.00 0.00 C ATOM 733 O LEU A 46 0.490 -6.101 14.327 1.00 0.00 O ATOM 734 CB LEU A 46 -1.860 -6.656 12.145 1.00 0.00 C ATOM 735 CG LEU A 46 -2.891 -5.922 11.249 1.00 0.00 C ATOM 736 CD1 LEU A 46 -4.016 -6.898 10.883 1.00 0.00 C ATOM 737 CD2 LEU A 46 -3.511 -4.714 11.990 1.00 0.00 C ATOM 0 H LEU A 46 -0.215 -6.657 10.206 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.710 -4.854 12.469 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.695 -7.665 11.768 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.253 -6.754 13.157 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.379 -5.563 10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.747 -6.391 10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.599 -7.748 10.343 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.503 -7.249 11.793 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.230 -4.218 11.339 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.017 -5.060 12.891 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.724 -4.011 12.263 1.00 0.00 H new ATOM 749 N GLU A 47 1.117 -7.578 12.834 1.00 0.00 N ATOM 750 CA GLU A 47 2.026 -8.216 13.830 1.00 0.00 C ATOM 751 C GLU A 47 3.264 -7.335 14.029 1.00 0.00 C ATOM 752 O GLU A 47 4.149 -7.657 14.797 1.00 0.00 O ATOM 753 CB GLU A 47 2.419 -9.638 13.370 1.00 0.00 C ATOM 754 CG GLU A 47 3.553 -9.614 12.330 1.00 0.00 C ATOM 755 CD GLU A 47 4.906 -9.438 13.028 1.00 0.00 C ATOM 756 OE1 GLU A 47 5.306 -10.345 13.738 1.00 0.00 O ATOM 757 OE2 GLU A 47 5.517 -8.398 12.840 1.00 0.00 O ATOM 0 H GLU A 47 1.106 -8.006 11.908 1.00 0.00 H new ATOM 0 HA GLU A 47 1.509 -8.310 14.785 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.731 -10.225 14.234 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.547 -10.135 12.945 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.549 -10.540 11.756 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.391 -8.800 11.623 1.00 0.00 H new ATOM 764 N LYS A 48 3.334 -6.224 13.339 1.00 0.00 N ATOM 765 CA LYS A 48 4.506 -5.321 13.475 1.00 0.00 C ATOM 766 C LYS A 48 4.214 -4.268 14.549 1.00 0.00 C ATOM 767 O LYS A 48 5.114 -3.753 15.185 1.00 0.00 O ATOM 768 CB LYS A 48 4.716 -4.639 12.125 1.00 0.00 C ATOM 769 CG LYS A 48 5.943 -3.715 12.163 1.00 0.00 C ATOM 770 CD LYS A 48 6.036 -2.918 10.846 1.00 0.00 C ATOM 771 CE LYS A 48 6.811 -3.716 9.790 1.00 0.00 C ATOM 772 NZ LYS A 48 8.170 -4.043 10.309 1.00 0.00 N ATOM 0 H LYS A 48 2.621 -5.906 12.683 1.00 0.00 H new ATOM 0 HA LYS A 48 5.397 -5.878 13.766 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.847 -5.393 11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.829 -4.062 11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.869 -3.031 13.008 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.849 -4.304 12.308 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.035 -2.693 10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.531 -1.964 11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.274 -4.632 9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.891 -3.138 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.878 -3.857 9.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.375 -3.454 11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.207 -5.047 10.578 1.00 0.00 H new ATOM 786 N VAL A 49 2.963 -3.938 14.751 1.00 0.00 N ATOM 787 CA VAL A 49 2.599 -2.911 15.778 1.00 0.00 C ATOM 788 C VAL A 49 2.063 -3.602 17.036 1.00 0.00 C ATOM 789 O VAL A 49 2.537 -3.371 18.130 1.00 0.00 O ATOM 790 CB VAL A 49 1.515 -1.990 15.211 1.00 0.00 C ATOM 791 CG1 VAL A 49 1.046 -1.018 16.295 1.00 0.00 C ATOM 792 CG2 VAL A 49 2.083 -1.198 14.030 1.00 0.00 C ATOM 0 H VAL A 49 2.172 -4.338 14.246 1.00 0.00 H new ATOM 0 HA VAL A 49 3.484 -2.329 16.034 1.00 0.00 H new ATOM 0 HB VAL A 49 0.671 -2.592 14.875 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.275 -0.364 15.888 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.639 -1.580 17.136 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.890 -0.417 16.634 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.311 -0.543 13.627 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.929 -0.598 14.367 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.414 -1.889 13.254 1.00 0.00 H new ATOM 802 N TYR A 50 1.075 -4.442 16.893 1.00 0.00 N ATOM 803 CA TYR A 50 0.513 -5.135 18.088 1.00 0.00 C ATOM 804 C TYR A 50 1.509 -6.192 18.581 1.00 0.00 C ATOM 805 O TYR A 50 2.681 -5.916 18.733 1.00 0.00 O ATOM 806 CB TYR A 50 -0.821 -5.792 17.717 1.00 0.00 C ATOM 807 CG TYR A 50 -1.854 -4.718 17.445 1.00 0.00 C ATOM 808 CD1 TYR A 50 -2.557 -4.138 18.510 1.00 0.00 C ATOM 809 CD2 TYR A 50 -2.111 -4.301 16.130 1.00 0.00 C ATOM 810 CE1 TYR A 50 -3.513 -3.146 18.261 1.00 0.00 C ATOM 811 CE2 TYR A 50 -3.067 -3.309 15.885 1.00 0.00 C ATOM 812 CZ TYR A 50 -3.768 -2.732 16.949 1.00 0.00 C ATOM 813 OH TYR A 50 -4.712 -1.754 16.705 1.00 0.00 O ATOM 0 H TYR A 50 0.634 -4.678 16.004 1.00 0.00 H new ATOM 0 HA TYR A 50 0.341 -4.413 18.886 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.696 -6.422 16.837 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.158 -6.439 18.527 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.361 -4.457 19.523 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.571 -4.746 15.307 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.054 -2.700 19.082 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.264 -2.988 14.873 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.765 -1.584 15.741 1.00 0.00 H new ATOM 823 N ASP A 51 1.055 -7.399 18.818 1.00 0.00 N ATOM 824 CA ASP A 51 1.982 -8.481 19.297 1.00 0.00 C ATOM 825 C ASP A 51 1.184 -9.780 19.479 1.00 0.00 C ATOM 826 O ASP A 51 0.969 -10.208 20.596 1.00 0.00 O ATOM 827 CB ASP A 51 2.629 -8.107 20.651 1.00 0.00 C ATOM 828 CG ASP A 51 3.549 -9.246 21.094 1.00 0.00 C ATOM 829 OD1 ASP A 51 4.187 -9.834 20.235 1.00 0.00 O ATOM 830 OD2 ASP A 51 3.604 -9.510 22.283 1.00 0.00 O ATOM 0 H ASP A 51 0.083 -7.685 18.701 1.00 0.00 H new ATOM 0 HA ASP A 51 2.771 -8.608 18.555 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.196 -7.181 20.555 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.858 -7.932 21.401 1.00 0.00 H new ATOM 835 N PRO A 52 0.756 -10.373 18.385 1.00 0.00 N ATOM 836 CA PRO A 52 -0.028 -11.621 18.442 1.00 0.00 C ATOM 837 C PRO A 52 0.785 -12.720 19.139 1.00 0.00 C ATOM 838 O PRO A 52 1.924 -12.521 19.513 1.00 0.00 O ATOM 839 CB PRO A 52 -0.326 -11.975 16.964 1.00 0.00 C ATOM 840 CG PRO A 52 0.244 -10.826 16.089 1.00 0.00 C ATOM 841 CD PRO A 52 1.011 -9.862 17.022 1.00 0.00 C ATOM 0 HA PRO A 52 -0.950 -11.516 19.014 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.134 -12.926 16.697 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.399 -12.084 16.804 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.907 -11.223 15.321 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.561 -10.301 15.575 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.077 -9.856 16.795 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.656 -8.838 16.911 1.00 0.00 H new ATOM 849 N LYS A 53 0.202 -13.871 19.317 1.00 0.00 N ATOM 850 CA LYS A 53 0.932 -14.984 19.991 1.00 0.00 C ATOM 851 C LYS A 53 1.477 -14.494 21.334 1.00 0.00 C ATOM 852 O LYS A 53 2.594 -14.795 21.705 1.00 0.00 O ATOM 853 CB LYS A 53 2.090 -15.448 19.105 1.00 0.00 C ATOM 854 CG LYS A 53 1.549 -15.877 17.741 1.00 0.00 C ATOM 855 CD LYS A 53 2.705 -16.341 16.854 1.00 0.00 C ATOM 856 CE LYS A 53 2.165 -16.751 15.484 1.00 0.00 C ATOM 857 NZ LYS A 53 1.525 -15.575 14.830 1.00 0.00 N ATOM 0 H LYS A 53 -0.750 -14.092 19.025 1.00 0.00 H new ATOM 0 HA LYS A 53 0.250 -15.818 20.158 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.814 -14.643 18.984 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.613 -16.279 19.578 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.825 -16.682 17.863 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.025 -15.046 17.268 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.436 -15.540 16.743 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.220 -17.181 17.320 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.975 -17.131 14.861 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.441 -17.558 15.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.495 -15.724 13.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.557 -15.461 15.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.076 -14.718 15.040 1.00 0.00 H new ATOM 871 N ASN A 54 0.692 -13.750 22.066 1.00 0.00 N ATOM 872 CA ASN A 54 1.161 -13.246 23.392 1.00 0.00 C ATOM 873 C ASN A 54 0.019 -12.533 24.128 1.00 0.00 C ATOM 874 O ASN A 54 -0.053 -12.559 25.340 1.00 0.00 O ATOM 875 CB ASN A 54 2.339 -12.281 23.199 1.00 0.00 C ATOM 876 CG ASN A 54 2.715 -11.654 24.544 1.00 0.00 C ATOM 877 OD1 ASN A 54 2.552 -12.345 25.639 1.00 0.00 O flip ATOM 878 ND2 ASN A 54 3.163 -10.527 24.599 1.00 0.00 N flip ATOM 0 H ASN A 54 -0.253 -13.469 21.805 1.00 0.00 H new ATOM 0 HA ASN A 54 1.488 -14.096 23.992 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.194 -12.814 22.783 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.071 -11.502 22.485 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.291 -9.987 23.743 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.412 -10.121 25.501 1.00 0.00 H new ATOM 885 N GLU A 55 -0.867 -11.899 23.406 1.00 0.00 N ATOM 886 CA GLU A 55 -2.013 -11.177 24.049 1.00 0.00 C ATOM 887 C GLU A 55 -3.323 -11.892 23.710 1.00 0.00 C ATOM 888 O GLU A 55 -3.385 -12.700 22.804 1.00 0.00 O ATOM 889 CB GLU A 55 -2.070 -9.744 23.514 1.00 0.00 C ATOM 890 CG GLU A 55 -0.778 -9.010 23.879 1.00 0.00 C ATOM 891 CD GLU A 55 -0.852 -7.566 23.378 1.00 0.00 C ATOM 892 OE1 GLU A 55 -0.971 -7.382 22.177 1.00 0.00 O ATOM 893 OE2 GLU A 55 -0.789 -6.670 24.203 1.00 0.00 O ATOM 0 H GLU A 55 -0.848 -11.848 22.387 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.874 -11.163 25.130 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.202 -9.754 22.432 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.929 -9.221 23.935 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.632 -9.024 24.959 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.079 -9.517 23.435 1.00 0.00 H new ATOM 900 N GLU A 56 -4.371 -11.603 24.433 1.00 0.00 N ATOM 901 CA GLU A 56 -5.678 -12.265 24.155 1.00 0.00 C ATOM 902 C GLU A 56 -6.070 -12.033 22.696 1.00 0.00 C ATOM 903 O GLU A 56 -5.275 -11.586 21.892 1.00 0.00 O ATOM 904 CB GLU A 56 -6.753 -11.674 25.069 1.00 0.00 C ATOM 905 CG GLU A 56 -6.357 -11.887 26.531 1.00 0.00 C ATOM 906 CD GLU A 56 -7.498 -11.426 27.440 1.00 0.00 C ATOM 907 OE1 GLU A 56 -8.493 -12.127 27.511 1.00 0.00 O ATOM 908 OE2 GLU A 56 -7.357 -10.379 28.050 1.00 0.00 O ATOM 0 H GLU A 56 -4.379 -10.936 25.205 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.588 -13.335 24.341 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.873 -10.610 24.865 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.715 -12.147 24.869 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.138 -12.940 26.710 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.449 -11.329 26.758 1.00 0.00 H new ATOM 915 N ASP A 57 -7.291 -12.335 22.343 1.00 0.00 N ATOM 916 CA ASP A 57 -7.729 -12.135 20.937 1.00 0.00 C ATOM 917 C ASP A 57 -7.974 -10.646 20.675 1.00 0.00 C ATOM 918 O ASP A 57 -8.865 -10.276 19.935 1.00 0.00 O ATOM 919 CB ASP A 57 -9.022 -12.917 20.688 1.00 0.00 C ATOM 920 CG ASP A 57 -8.763 -14.409 20.900 1.00 0.00 C ATOM 921 OD1 ASP A 57 -7.888 -14.940 20.236 1.00 0.00 O ATOM 922 OD2 ASP A 57 -9.444 -14.998 21.724 1.00 0.00 O ATOM 0 H ASP A 57 -8.002 -12.712 22.970 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.950 -12.494 20.265 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.804 -12.573 21.365 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.378 -12.739 19.673 1.00 0.00 H new ATOM 927 N ASP A 58 -7.191 -9.789 21.271 1.00 0.00 N ATOM 928 CA ASP A 58 -7.378 -8.325 21.052 1.00 0.00 C ATOM 929 C ASP A 58 -7.449 -8.030 19.550 1.00 0.00 C ATOM 930 O ASP A 58 -7.760 -6.930 19.136 1.00 0.00 O ATOM 931 CB ASP A 58 -6.200 -7.564 21.665 1.00 0.00 C ATOM 932 CG ASP A 58 -6.087 -7.910 23.150 1.00 0.00 C ATOM 933 OD1 ASP A 58 -6.846 -7.356 23.928 1.00 0.00 O ATOM 934 OD2 ASP A 58 -5.241 -8.724 23.486 1.00 0.00 O ATOM 0 H ASP A 58 -6.429 -10.039 21.901 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.306 -8.006 21.526 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.276 -7.825 21.149 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.342 -6.491 21.541 1.00 0.00 H new ATOM 939 N MET A 59 -7.171 -9.008 18.731 1.00 0.00 N ATOM 940 CA MET A 59 -7.231 -8.785 17.259 1.00 0.00 C ATOM 941 C MET A 59 -8.694 -8.613 16.839 1.00 0.00 C ATOM 942 O MET A 59 -8.991 -8.310 15.700 1.00 0.00 O ATOM 943 CB MET A 59 -6.619 -9.984 16.525 1.00 0.00 C ATOM 944 CG MET A 59 -5.107 -10.046 16.786 1.00 0.00 C ATOM 945 SD MET A 59 -4.307 -11.001 15.473 1.00 0.00 S ATOM 946 CE MET A 59 -3.957 -9.616 14.361 1.00 0.00 C ATOM 0 H MET A 59 -6.905 -9.950 19.018 1.00 0.00 H new ATOM 0 HA MET A 59 -6.667 -7.889 17.002 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.092 -10.907 16.861 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.808 -9.901 15.455 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.692 -9.039 16.822 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.913 -10.506 17.755 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.454 -9.985 13.467 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.891 -9.132 14.078 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.314 -8.896 14.868 1.00 0.00 H new ATOM 956 N ARG A 60 -9.608 -8.798 17.754 1.00 0.00 N ATOM 957 CA ARG A 60 -11.054 -8.640 17.420 1.00 0.00 C ATOM 958 C ARG A 60 -11.466 -7.184 17.641 1.00 0.00 C ATOM 959 O ARG A 60 -12.081 -6.571 16.798 1.00 0.00 O ATOM 960 CB ARG A 60 -11.889 -9.551 18.323 1.00 0.00 C ATOM 961 CG ARG A 60 -13.317 -9.638 17.783 1.00 0.00 C ATOM 962 CD ARG A 60 -14.176 -10.468 18.741 1.00 0.00 C ATOM 963 NE ARG A 60 -13.442 -11.707 19.123 1.00 0.00 N ATOM 964 CZ ARG A 60 -13.841 -12.412 20.146 1.00 0.00 C ATOM 965 NH1 ARG A 60 -14.885 -12.035 20.833 1.00 0.00 N ATOM 966 NH2 ARG A 60 -13.196 -13.496 20.482 1.00 0.00 N ATOM 0 H ARG A 60 -9.415 -9.053 18.723 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.221 -8.913 16.378 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.444 -10.545 18.365 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.897 -9.162 19.341 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.737 -8.638 17.674 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.315 -10.093 16.792 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.414 -9.885 19.631 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.123 -10.726 18.266 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.628 -12.004 18.585 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.390 -11.189 20.570 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.196 -12.587 21.632 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.381 -13.791 19.945 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.507 -14.048 21.282 1.00 0.00 H new ATOM 980 N GLU A 61 -11.148 -6.620 18.770 1.00 0.00 N ATOM 981 CA GLU A 61 -11.541 -5.205 19.019 1.00 0.00 C ATOM 982 C GLU A 61 -10.976 -4.313 17.905 1.00 0.00 C ATOM 983 O GLU A 61 -11.702 -3.609 17.231 1.00 0.00 O ATOM 984 CB GLU A 61 -10.985 -4.749 20.372 1.00 0.00 C ATOM 985 CG GLU A 61 -11.826 -5.341 21.507 1.00 0.00 C ATOM 986 CD GLU A 61 -13.205 -4.678 21.525 1.00 0.00 C ATOM 987 OE1 GLU A 61 -13.309 -3.589 22.065 1.00 0.00 O ATOM 988 OE2 GLU A 61 -14.132 -5.272 20.999 1.00 0.00 O ATOM 0 H GLU A 61 -10.636 -7.073 19.528 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.628 -5.127 19.030 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.947 -5.065 20.474 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.994 -3.661 20.431 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.931 -6.418 21.372 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.325 -5.187 22.463 1.00 0.00 H new ATOM 995 N MET A 62 -9.684 -4.331 17.719 1.00 0.00 N ATOM 996 CA MET A 62 -9.060 -3.474 16.662 1.00 0.00 C ATOM 997 C MET A 62 -9.612 -3.826 15.274 1.00 0.00 C ATOM 998 O MET A 62 -9.304 -3.155 14.308 1.00 0.00 O ATOM 999 CB MET A 62 -7.537 -3.675 16.664 1.00 0.00 C ATOM 1000 CG MET A 62 -7.173 -5.160 16.380 1.00 0.00 C ATOM 1001 SD MET A 62 -6.116 -5.276 14.905 1.00 0.00 S ATOM 1002 CE MET A 62 -7.387 -5.776 13.711 1.00 0.00 C ATOM 0 H MET A 62 -9.030 -4.903 18.253 1.00 0.00 H new ATOM 0 HA MET A 62 -9.300 -2.434 16.882 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.081 -3.034 15.910 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.128 -3.374 17.628 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.657 -5.587 17.240 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.082 -5.743 16.232 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.928 -6.362 12.915 1.00 0.00 H new ATOM 0 HE2 MET A 62 -8.143 -6.378 14.215 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.855 -4.889 13.285 1.00 0.00 H new ATOM 1012 N GLU A 63 -10.403 -4.870 15.159 1.00 0.00 N ATOM 1013 CA GLU A 63 -10.958 -5.261 13.814 1.00 0.00 C ATOM 1014 C GLU A 63 -11.363 -4.008 13.030 1.00 0.00 C ATOM 1015 O GLU A 63 -11.450 -4.023 11.818 1.00 0.00 O ATOM 1016 CB GLU A 63 -12.186 -6.160 13.992 1.00 0.00 C ATOM 1017 CG GLU A 63 -13.293 -5.383 14.717 1.00 0.00 C ATOM 1018 CD GLU A 63 -14.314 -6.364 15.301 1.00 0.00 C ATOM 1019 OE1 GLU A 63 -14.692 -7.284 14.595 1.00 0.00 O ATOM 1020 OE2 GLU A 63 -14.699 -6.178 16.443 1.00 0.00 O ATOM 0 H GLU A 63 -10.689 -5.468 15.934 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.188 -5.803 13.265 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.544 -6.501 13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.918 -7.049 14.563 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.863 -4.775 15.512 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.785 -4.700 14.024 1.00 0.00 H new ATOM 1027 N GLU A 64 -11.597 -2.922 13.713 1.00 0.00 N ATOM 1028 CA GLU A 64 -11.977 -1.665 13.010 1.00 0.00 C ATOM 1029 C GLU A 64 -10.919 -1.340 11.953 1.00 0.00 C ATOM 1030 O GLU A 64 -11.232 -0.912 10.859 1.00 0.00 O ATOM 1031 CB GLU A 64 -12.047 -0.522 14.022 1.00 0.00 C ATOM 1032 CG GLU A 64 -13.280 -0.698 14.909 1.00 0.00 C ATOM 1033 CD GLU A 64 -13.351 0.449 15.920 1.00 0.00 C ATOM 1034 OE1 GLU A 64 -13.206 1.587 15.505 1.00 0.00 O ATOM 1035 OE2 GLU A 64 -13.546 0.170 17.090 1.00 0.00 O ATOM 0 H GLU A 64 -11.541 -2.851 14.729 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.948 -1.791 12.532 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.145 -0.509 14.634 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.094 0.435 13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.182 -0.714 14.297 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.232 -1.654 15.431 1.00 0.00 H new ATOM 1042 N GLU A 65 -9.667 -1.546 12.267 1.00 0.00 N ATOM 1043 CA GLU A 65 -8.593 -1.255 11.277 1.00 0.00 C ATOM 1044 C GLU A 65 -8.639 -2.311 10.173 1.00 0.00 C ATOM 1045 O GLU A 65 -8.503 -2.013 9.003 1.00 0.00 O ATOM 1046 CB GLU A 65 -7.227 -1.306 11.968 1.00 0.00 C ATOM 1047 CG GLU A 65 -7.244 -0.418 13.213 1.00 0.00 C ATOM 1048 CD GLU A 65 -7.425 1.043 12.795 1.00 0.00 C ATOM 1049 OE1 GLU A 65 -6.798 1.444 11.827 1.00 0.00 O ATOM 1050 OE2 GLU A 65 -8.186 1.735 13.449 1.00 0.00 O ATOM 0 H GLU A 65 -9.344 -1.903 13.166 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.745 -0.263 10.852 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.987 -2.333 12.245 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.449 -0.971 11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.054 -0.720 13.877 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.314 -0.536 13.769 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.838 -3.546 10.542 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.904 -4.636 9.529 1.00 0.00 C ATOM 1059 C ARG A 66 -9.908 -4.249 8.441 1.00 0.00 C ATOM 1060 O ARG A 66 -9.665 -4.429 7.264 1.00 0.00 O ATOM 1061 CB ARG A 66 -9.376 -5.926 10.221 1.00 0.00 C ATOM 1062 CG ARG A 66 -9.121 -7.140 9.313 1.00 0.00 C ATOM 1063 CD ARG A 66 -7.656 -7.612 9.437 1.00 0.00 C ATOM 1064 NE ARG A 66 -7.126 -7.972 8.084 1.00 0.00 N ATOM 1065 CZ ARG A 66 -7.812 -8.726 7.263 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -8.912 -9.303 7.659 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -7.370 -8.936 6.055 1.00 0.00 N ATOM 0 H ARG A 66 -8.959 -3.849 11.509 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.922 -4.792 9.081 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.850 -6.053 11.167 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.438 -5.854 10.455 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.795 -7.952 9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.338 -6.879 8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.046 -6.824 9.879 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.596 -8.473 10.103 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.212 -7.623 7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.243 -9.168 8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.441 -9.889 7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.492 -8.513 5.752 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.902 -9.523 5.412 1.00 0.00 H new ATOM 1081 N LEU A 67 -11.034 -3.723 8.828 1.00 0.00 N ATOM 1082 CA LEU A 67 -12.062 -3.323 7.827 1.00 0.00 C ATOM 1083 C LEU A 67 -11.655 -2.006 7.161 1.00 0.00 C ATOM 1084 O LEU A 67 -12.026 -1.733 6.040 1.00 0.00 O ATOM 1085 CB LEU A 67 -13.414 -3.144 8.524 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.814 -4.444 9.241 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.905 -4.145 10.271 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -14.347 -5.467 8.229 1.00 0.00 C ATOM 0 H LEU A 67 -11.289 -3.551 9.801 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.142 -4.101 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.356 -2.326 9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.176 -2.873 7.793 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.935 -4.855 9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.188 -5.067 10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.529 -3.429 11.002 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.776 -3.726 9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.626 -6.383 8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.221 -5.057 7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.573 -5.689 7.494 1.00 0.00 H new ATOM 1100 N ARG A 68 -10.904 -1.184 7.839 1.00 0.00 N ATOM 1101 CA ARG A 68 -10.496 0.113 7.226 1.00 0.00 C ATOM 1102 C ARG A 68 -9.426 -0.130 6.156 1.00 0.00 C ATOM 1103 O ARG A 68 -9.424 0.508 5.129 1.00 0.00 O ATOM 1104 CB ARG A 68 -9.951 1.050 8.317 1.00 0.00 C ATOM 1105 CG ARG A 68 -9.667 2.458 7.740 1.00 0.00 C ATOM 1106 CD ARG A 68 -10.945 3.327 7.755 1.00 0.00 C ATOM 1107 NE ARG A 68 -11.023 4.126 6.490 1.00 0.00 N ATOM 1108 CZ ARG A 68 -9.992 4.797 6.047 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -8.914 4.913 6.773 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -10.059 5.394 4.889 1.00 0.00 N ATOM 0 H ARG A 68 -10.557 -1.351 8.783 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.362 0.579 6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.671 1.124 9.132 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.036 0.633 8.737 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.885 2.944 8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.295 2.369 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.827 2.694 7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.934 3.993 8.618 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.897 4.147 5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.871 4.478 7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.115 5.438 6.419 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.913 5.336 4.334 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.258 5.919 4.539 1.00 0.00 H new ATOM 1124 N MET A 69 -8.518 -1.043 6.375 1.00 0.00 N ATOM 1125 CA MET A 69 -7.467 -1.298 5.336 1.00 0.00 C ATOM 1126 C MET A 69 -7.999 -2.312 4.321 1.00 0.00 C ATOM 1127 O MET A 69 -7.798 -2.172 3.130 1.00 0.00 O ATOM 1128 CB MET A 69 -6.178 -1.842 5.980 1.00 0.00 C ATOM 1129 CG MET A 69 -5.762 -0.980 7.182 1.00 0.00 C ATOM 1130 SD MET A 69 -4.511 -1.867 8.145 1.00 0.00 S ATOM 1131 CE MET A 69 -3.952 -0.465 9.143 1.00 0.00 C ATOM 0 H MET A 69 -8.454 -1.618 7.215 1.00 0.00 H new ATOM 0 HA MET A 69 -7.232 -0.357 4.838 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.334 -2.872 6.302 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.376 -1.856 5.242 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.365 -0.024 6.840 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.629 -0.760 7.805 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.165 -0.793 9.822 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.565 0.316 8.489 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.789 -0.073 9.721 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.673 -3.329 4.775 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.212 -4.345 3.828 1.00 0.00 C ATOM 1143 C ARG A 70 -10.331 -3.739 2.970 1.00 0.00 C ATOM 1144 O ARG A 70 -10.443 -4.030 1.797 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.772 -5.531 4.616 1.00 0.00 C ATOM 1146 CG ARG A 70 -10.123 -6.663 3.642 1.00 0.00 C ATOM 1147 CD ARG A 70 -10.561 -7.915 4.413 1.00 0.00 C ATOM 1148 NE ARG A 70 -10.977 -8.968 3.444 1.00 0.00 N ATOM 1149 CZ ARG A 70 -11.105 -10.205 3.839 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -10.872 -10.521 5.084 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -11.466 -11.127 2.989 1.00 0.00 N ATOM 0 H ARG A 70 -8.875 -3.502 5.760 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.404 -4.677 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.040 -5.877 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.658 -5.227 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.922 -6.342 2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.260 -6.896 3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.743 -8.279 5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.387 -7.674 5.083 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.162 -8.722 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.590 -9.801 5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.972 -11.488 5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.648 -10.881 2.016 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.566 -12.094 3.298 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.178 -2.924 3.546 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.303 -2.335 2.763 1.00 0.00 C ATOM 1167 C GLU A 71 -11.859 -1.074 2.004 1.00 0.00 C ATOM 1168 O GLU A 71 -12.093 -0.945 0.819 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.441 -1.974 3.730 1.00 0.00 C ATOM 1170 CG GLU A 71 -14.762 -1.918 2.969 1.00 0.00 C ATOM 1171 CD GLU A 71 -15.866 -1.397 3.892 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -16.431 -2.199 4.618 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -16.126 -0.206 3.858 1.00 0.00 O ATOM 0 H GLU A 71 -11.138 -2.642 4.525 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.639 -3.068 2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.501 -2.713 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.240 -1.012 4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.665 -1.268 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.022 -2.910 2.599 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.247 -0.133 2.673 1.00 0.00 N ATOM 1181 CA HIS A 72 -10.828 1.119 1.972 1.00 0.00 C ATOM 1182 C HIS A 72 -9.980 0.781 0.743 1.00 0.00 C ATOM 1183 O HIS A 72 -10.124 1.391 -0.299 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.024 2.012 2.925 1.00 0.00 C ATOM 1185 CG HIS A 72 -9.853 3.372 2.306 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -10.863 4.323 2.318 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -8.797 3.955 1.650 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -10.396 5.417 1.689 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -9.142 5.246 1.262 1.00 0.00 N ATOM 0 H HIS A 72 -11.020 -0.175 3.667 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.722 1.653 1.650 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.538 2.098 3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.050 1.566 3.125 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.844 3.483 1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.966 6.323 1.547 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -8.562 5.918 0.759 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.097 -0.176 0.839 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.259 -0.517 -0.346 1.00 0.00 C ATOM 1199 C VAL A 73 -9.107 -1.271 -1.376 1.00 0.00 C ATOM 1200 O VAL A 73 -9.082 -0.971 -2.553 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.070 -1.388 0.075 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.319 -1.857 -1.174 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.128 -0.574 0.969 1.00 0.00 C ATOM 0 H VAL A 73 -8.921 -0.731 1.677 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.882 0.406 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.430 -2.255 0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.473 -2.477 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.991 -2.438 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.958 -0.991 -1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.283 -1.195 1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.764 0.294 0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.666 -0.242 1.857 1.00 0.00 H new ATOM 1213 N MET A 74 -9.851 -2.252 -0.946 1.00 0.00 N ATOM 1214 CA MET A 74 -10.691 -3.026 -1.905 1.00 0.00 C ATOM 1215 C MET A 74 -11.839 -2.157 -2.426 1.00 0.00 C ATOM 1216 O MET A 74 -12.471 -2.484 -3.405 1.00 0.00 O ATOM 1217 CB MET A 74 -11.264 -4.264 -1.207 1.00 0.00 C ATOM 1218 CG MET A 74 -10.171 -5.327 -1.063 1.00 0.00 C ATOM 1219 SD MET A 74 -9.772 -6.006 -2.697 1.00 0.00 S ATOM 1220 CE MET A 74 -9.866 -7.766 -2.279 1.00 0.00 C ATOM 0 H MET A 74 -9.914 -2.552 0.027 1.00 0.00 H new ATOM 0 HA MET A 74 -10.070 -3.335 -2.746 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.653 -3.993 -0.225 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.100 -4.663 -1.782 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.280 -4.890 -0.611 1.00 0.00 H new ATOM 0 HG3 MET A 74 -10.508 -6.123 -0.399 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.649 -8.363 -3.165 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.138 -7.994 -1.500 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.868 -8.002 -1.920 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.150 -1.073 -1.773 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.286 -0.226 -2.249 1.00 0.00 C ATOM 1232 C LYS A 75 -12.801 0.851 -3.232 1.00 0.00 C ATOM 1233 O LYS A 75 -13.520 1.228 -4.137 1.00 0.00 O ATOM 1234 CB LYS A 75 -13.944 0.453 -1.044 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.179 1.238 -1.500 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.092 1.516 -0.301 1.00 0.00 C ATOM 1237 CE LYS A 75 -15.349 2.345 0.738 1.00 0.00 C ATOM 1238 NZ LYS A 75 -14.402 1.474 1.491 1.00 0.00 N ATOM 0 H LYS A 75 -11.673 -0.736 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.002 -0.866 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.230 -0.295 -0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.234 1.124 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.874 2.177 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.721 0.672 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.986 2.046 -0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.423 0.576 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.805 3.154 0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.059 2.806 1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.337 1.802 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.745 0.492 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.462 1.519 1.048 1.00 0.00 H new ATOM 1252 N ASN A 76 -11.614 1.385 -3.044 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.120 2.481 -3.952 1.00 0.00 C ATOM 1254 C ASN A 76 -10.031 2.007 -4.934 1.00 0.00 C ATOM 1255 O ASN A 76 -9.876 2.591 -5.988 1.00 0.00 O ATOM 1256 CB ASN A 76 -10.564 3.626 -3.093 1.00 0.00 C ATOM 1257 CG ASN A 76 -9.218 3.221 -2.485 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -8.918 1.958 -2.380 1.00 0.00 O flip ATOM 1259 ND2 ASN A 76 -8.434 4.065 -2.103 1.00 0.00 N flip ATOM 0 H ASN A 76 -10.966 1.112 -2.305 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.967 2.812 -4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.442 4.522 -3.702 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -11.270 3.873 -2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.669 5.054 -2.185 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.540 3.785 -1.700 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.264 0.985 -4.623 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.188 0.550 -5.589 1.00 0.00 C ATOM 1268 C VAL A 77 -8.703 -0.575 -6.496 1.00 0.00 C ATOM 1269 O VAL A 77 -8.299 -0.680 -7.631 1.00 0.00 O ATOM 1270 CB VAL A 77 -6.932 0.094 -4.827 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -5.987 -0.647 -5.786 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.199 1.328 -4.276 1.00 0.00 C ATOM 0 H VAL A 77 -9.330 0.441 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.922 1.402 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.227 -0.567 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.098 -0.969 -5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.496 -1.518 -6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.696 0.020 -6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.308 1.010 -3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.910 1.978 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.859 1.872 -3.600 1.00 0.00 H new ATOM 1282 N ASP A 78 -9.592 -1.405 -6.033 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.117 -2.480 -6.928 1.00 0.00 C ATOM 1284 C ASP A 78 -10.967 -1.811 -8.006 1.00 0.00 C ATOM 1285 O ASP A 78 -12.072 -1.373 -7.755 1.00 0.00 O ATOM 1286 CB ASP A 78 -10.981 -3.453 -6.130 1.00 0.00 C ATOM 1287 CG ASP A 78 -10.086 -4.402 -5.333 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -9.096 -3.938 -4.791 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -10.404 -5.578 -5.283 1.00 0.00 O ATOM 0 H ASP A 78 -9.976 -1.391 -5.088 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.292 -3.036 -7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.636 -2.903 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.622 -4.022 -6.804 1.00 0.00 H new ATOM 1294 N THR A 79 -10.444 -1.688 -9.198 1.00 0.00 N ATOM 1295 CA THR A 79 -11.208 -1.000 -10.277 1.00 0.00 C ATOM 1296 C THR A 79 -12.198 -1.951 -10.956 1.00 0.00 C ATOM 1297 O THR A 79 -13.373 -1.656 -11.060 1.00 0.00 O ATOM 1298 CB THR A 79 -10.232 -0.422 -11.329 1.00 0.00 C ATOM 1299 OG1 THR A 79 -10.234 -1.232 -12.497 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.803 -0.329 -10.759 1.00 0.00 C ATOM 0 H THR A 79 -9.523 -2.034 -9.469 1.00 0.00 H new ATOM 0 HA THR A 79 -11.776 -0.190 -9.820 1.00 0.00 H new ATOM 0 HB THR A 79 -10.567 0.582 -11.588 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.360 -0.666 -13.287 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.135 0.080 -11.517 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.802 0.322 -9.885 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.460 -1.323 -10.472 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.742 -3.078 -11.421 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.665 -4.052 -12.108 1.00 0.00 C ATOM 1310 C ASN A 80 -13.033 -5.177 -11.142 1.00 0.00 C ATOM 1311 O ASN A 80 -13.411 -6.258 -11.547 1.00 0.00 O ATOM 1312 CB ASN A 80 -11.985 -4.642 -13.348 1.00 0.00 C ATOM 1313 CG ASN A 80 -13.004 -5.467 -14.138 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -12.715 -6.571 -14.556 1.00 0.00 O ATOM 1315 ND2 ASN A 80 -14.193 -4.977 -14.361 1.00 0.00 N ATOM 0 H ASN A 80 -10.769 -3.377 -11.360 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.568 -3.525 -12.417 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.584 -3.843 -13.972 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.143 -5.268 -13.052 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.878 -5.521 -14.886 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -14.437 -4.051 -14.011 1.00 0.00 H new ATOM 1322 N GLN A 81 -12.945 -4.904 -9.869 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.297 -5.906 -8.818 1.00 0.00 C ATOM 1324 C GLN A 81 -13.005 -7.345 -9.263 1.00 0.00 C ATOM 1325 O GLN A 81 -13.714 -8.267 -8.911 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.782 -5.771 -8.463 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.002 -4.498 -7.641 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.533 -4.724 -6.201 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -13.920 -5.835 -5.892 1.00 0.00 O flip ATOM 1330 NE2 GLN A 81 -14.725 -3.881 -5.348 1.00 0.00 N flip ATOM 0 H GLN A 81 -12.635 -4.004 -9.502 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.676 -5.701 -7.946 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.382 -5.736 -9.373 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.111 -6.642 -7.897 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.454 -3.667 -8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.057 -4.225 -7.651 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.204 -3.013 -5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.408 -4.041 -4.392 1.00 0.00 H new ATOM 1339 N ASP A 82 -11.956 -7.550 -10.003 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.607 -8.935 -10.433 1.00 0.00 C ATOM 1341 C ASP A 82 -10.788 -9.568 -9.315 1.00 0.00 C ATOM 1342 O ASP A 82 -10.162 -10.596 -9.478 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.767 -8.886 -11.713 1.00 0.00 C ATOM 1344 CG ASP A 82 -10.568 -10.306 -12.246 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -11.521 -11.068 -12.215 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -9.467 -10.609 -12.673 1.00 0.00 O ATOM 0 H ASP A 82 -11.323 -6.821 -10.331 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.510 -9.513 -10.631 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.263 -8.271 -12.463 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.801 -8.424 -11.510 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.774 -8.918 -8.184 1.00 0.00 N ATOM 1352 CA ARG A 83 -9.984 -9.404 -7.017 1.00 0.00 C ATOM 1353 C ARG A 83 -8.503 -9.336 -7.384 1.00 0.00 C ATOM 1354 O ARG A 83 -7.632 -9.580 -6.572 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.371 -10.841 -6.642 1.00 0.00 C ATOM 1356 CG ARG A 83 -11.900 -10.991 -6.657 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.281 -12.341 -6.046 1.00 0.00 C ATOM 1358 NE ARG A 83 -11.508 -13.426 -6.716 1.00 0.00 N ATOM 1359 CZ ARG A 83 -11.440 -14.611 -6.173 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -12.044 -14.845 -5.039 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -10.767 -15.562 -6.762 1.00 0.00 N ATOM 0 H ARG A 83 -11.287 -8.053 -8.016 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.192 -8.775 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.921 -11.543 -7.344 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.982 -11.085 -5.653 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.362 -10.180 -6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.274 -10.923 -7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.073 -12.339 -4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.350 -12.516 -6.163 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.032 -13.242 -7.599 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.569 -14.102 -4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.991 -15.771 -4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.294 -15.379 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.714 -16.488 -6.337 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.219 -8.983 -8.614 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.812 -8.861 -9.089 1.00 0.00 C ATOM 1377 C LEU A 84 -6.631 -7.418 -9.566 1.00 0.00 C ATOM 1378 O LEU A 84 -7.478 -6.870 -10.245 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.592 -9.848 -10.261 1.00 0.00 C ATOM 1380 CG LEU A 84 -5.847 -11.120 -9.787 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -6.758 -11.980 -8.899 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.427 -11.934 -11.016 1.00 0.00 C ATOM 0 H LEU A 84 -8.922 -8.770 -9.322 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.095 -9.095 -8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.554 -10.126 -10.692 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.019 -9.360 -11.049 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.972 -10.825 -9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.217 -12.869 -8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.064 -11.404 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.641 -12.278 -9.464 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.901 -12.833 -10.695 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.312 -12.216 -11.586 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.768 -11.333 -11.643 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.550 -6.793 -9.189 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.311 -5.364 -9.582 1.00 0.00 C ATOM 1396 C VAL A 85 -4.111 -5.266 -10.523 1.00 0.00 C ATOM 1397 O VAL A 85 -3.050 -5.775 -10.223 1.00 0.00 O ATOM 1398 CB VAL A 85 -4.997 -4.557 -8.319 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.607 -3.129 -8.710 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.234 -4.519 -7.417 1.00 0.00 C ATOM 0 H VAL A 85 -4.812 -7.210 -8.621 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.198 -4.979 -10.085 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.171 -5.026 -7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.383 -2.554 -7.811 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.727 -3.155 -9.352 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.433 -2.660 -9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.011 -3.945 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.060 -4.050 -7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.513 -5.535 -7.139 1.00 0.00 H new ATOM 1410 N THR A 86 -4.252 -4.587 -11.639 1.00 0.00 N ATOM 1411 CA THR A 86 -3.087 -4.435 -12.569 1.00 0.00 C ATOM 1412 C THR A 86 -2.475 -3.055 -12.343 1.00 0.00 C ATOM 1413 O THR A 86 -3.007 -2.251 -11.610 1.00 0.00 O ATOM 1414 CB THR A 86 -3.540 -4.571 -14.018 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.388 -3.482 -14.354 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.292 -5.886 -14.203 1.00 0.00 C ATOM 0 H THR A 86 -5.115 -4.136 -11.943 1.00 0.00 H new ATOM 0 HA THR A 86 -2.351 -5.214 -12.370 1.00 0.00 H new ATOM 0 HB THR A 86 -2.667 -4.565 -14.671 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.613 -3.525 -15.307 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.614 -5.978 -15.240 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.636 -6.719 -13.951 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.165 -5.901 -13.550 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.372 -2.770 -12.967 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.729 -1.435 -12.789 1.00 0.00 C ATOM 1426 C LEU A 87 -1.542 -0.380 -13.541 1.00 0.00 C ATOM 1427 O LEU A 87 -1.667 0.746 -13.110 1.00 0.00 O ATOM 1428 CB LEU A 87 0.699 -1.502 -13.373 1.00 0.00 C ATOM 1429 CG LEU A 87 1.373 -0.089 -13.467 1.00 0.00 C ATOM 1430 CD1 LEU A 87 2.262 0.167 -12.250 1.00 0.00 C ATOM 1431 CD2 LEU A 87 2.231 0.000 -14.738 1.00 0.00 C ATOM 0 H LEU A 87 -0.882 -3.405 -13.597 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.689 -1.170 -11.732 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.313 -2.154 -12.751 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.662 -1.951 -14.366 1.00 0.00 H new ATOM 0 HG LEU A 87 0.583 0.662 -13.499 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.720 1.152 -12.335 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.659 0.124 -11.343 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.042 -0.593 -12.203 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.695 0.984 -14.795 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.006 -0.766 -14.708 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.601 -0.156 -15.614 1.00 0.00 H new ATOM 1443 N GLU A 88 -2.068 -0.718 -14.669 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.829 0.286 -15.460 1.00 0.00 C ATOM 1445 C GLU A 88 -4.079 0.765 -14.714 1.00 0.00 C ATOM 1446 O GLU A 88 -4.233 1.941 -14.454 1.00 0.00 O ATOM 1447 CB GLU A 88 -3.241 -0.342 -16.792 1.00 0.00 C ATOM 1448 CG GLU A 88 -1.991 -0.811 -17.539 1.00 0.00 C ATOM 1449 CD GLU A 88 -2.386 -1.365 -18.908 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -3.462 -1.931 -19.009 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -1.606 -1.214 -19.835 1.00 0.00 O ATOM 0 H GLU A 88 -2.008 -1.647 -15.086 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.187 1.151 -15.625 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.912 -1.183 -16.618 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.788 0.383 -17.395 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.295 0.019 -17.659 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.476 -1.578 -16.960 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.989 -0.111 -14.393 1.00 0.00 N ATOM 1459 CA GLU A 89 -6.227 0.344 -13.703 1.00 0.00 C ATOM 1460 C GLU A 89 -5.879 0.934 -12.324 1.00 0.00 C ATOM 1461 O GLU A 89 -6.523 1.854 -11.858 1.00 0.00 O ATOM 1462 CB GLU A 89 -7.210 -0.836 -13.567 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.190 -1.675 -14.853 1.00 0.00 C ATOM 1464 CD GLU A 89 -7.442 -0.767 -16.058 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -8.491 -0.145 -16.097 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -6.583 -0.708 -16.922 1.00 0.00 O ATOM 0 H GLU A 89 -4.931 -1.113 -14.576 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.704 1.126 -14.294 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.935 -1.455 -12.713 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.217 -0.464 -13.380 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.228 -2.177 -14.957 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.952 -2.453 -14.804 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.862 0.433 -11.671 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.492 0.987 -10.332 1.00 0.00 C ATOM 1475 C PHE A 90 -4.005 2.435 -10.497 1.00 0.00 C ATOM 1476 O PHE A 90 -4.491 3.346 -9.853 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.387 0.109 -9.731 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.571 0.874 -8.702 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -3.202 1.467 -7.601 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.181 0.989 -8.856 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.446 2.173 -6.657 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.428 1.696 -7.913 1.00 0.00 C ATOM 1483 CZ PHE A 90 -1.060 2.287 -6.814 1.00 0.00 C ATOM 0 H PHE A 90 -4.274 -0.331 -12.004 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.354 0.987 -9.665 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.832 -0.770 -9.265 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.731 -0.248 -10.525 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.272 1.380 -7.480 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.692 0.531 -9.703 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.933 2.630 -5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.642 1.786 -8.033 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.478 2.832 -6.086 1.00 0.00 H new ATOM 1493 N LEU A 91 -3.060 2.653 -11.373 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.549 4.030 -11.606 1.00 0.00 C ATOM 1495 C LEU A 91 -3.745 4.986 -11.756 1.00 0.00 C ATOM 1496 O LEU A 91 -3.769 6.055 -11.180 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.683 4.025 -12.902 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.160 4.025 -12.588 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.232 2.942 -11.566 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.613 3.789 -13.888 1.00 0.00 C ATOM 0 H LEU A 91 -2.619 1.929 -11.940 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.936 4.364 -10.769 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.930 3.147 -13.499 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.928 4.899 -13.505 1.00 0.00 H new ATOM 0 HG LEU A 91 0.088 4.992 -12.151 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.306 2.986 -11.383 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.303 3.113 -10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.029 1.959 -11.959 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.683 3.787 -13.680 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.324 2.828 -14.314 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.383 4.584 -14.598 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.731 4.609 -12.522 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.915 5.495 -12.706 1.00 0.00 C ATOM 1514 C ALA A 92 -6.481 5.914 -11.342 1.00 0.00 C ATOM 1515 O ALA A 92 -6.593 7.088 -11.047 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.993 4.745 -13.491 1.00 0.00 C ATOM 0 H ALA A 92 -4.768 3.725 -13.029 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.609 6.386 -13.254 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.860 5.391 -13.627 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.599 4.457 -14.466 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.289 3.852 -12.941 1.00 0.00 H new ATOM 1522 N SER A 93 -6.851 4.968 -10.516 1.00 0.00 N ATOM 1523 CA SER A 93 -7.421 5.317 -9.181 1.00 0.00 C ATOM 1524 C SER A 93 -6.580 6.411 -8.524 1.00 0.00 C ATOM 1525 O SER A 93 -7.075 7.202 -7.746 1.00 0.00 O ATOM 1526 CB SER A 93 -7.440 4.077 -8.287 1.00 0.00 C ATOM 1527 OG SER A 93 -8.184 3.047 -8.928 1.00 0.00 O ATOM 0 H SER A 93 -6.783 3.969 -10.709 1.00 0.00 H new ATOM 0 HA SER A 93 -8.440 5.681 -9.314 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.422 3.739 -8.092 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.886 4.317 -7.322 1.00 0.00 H new ATOM 0 HG SER A 93 -8.197 2.250 -8.358 1.00 0.00 H new ATOM 1533 N THR A 94 -5.313 6.477 -8.849 1.00 0.00 N ATOM 1534 CA THR A 94 -4.439 7.541 -8.261 1.00 0.00 C ATOM 1535 C THR A 94 -4.321 8.689 -9.264 1.00 0.00 C ATOM 1536 O THR A 94 -4.595 9.831 -8.952 1.00 0.00 O ATOM 1537 CB THR A 94 -3.051 6.968 -7.966 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.372 6.723 -9.189 1.00 0.00 O ATOM 1539 CG2 THR A 94 -3.190 5.659 -7.187 1.00 0.00 C ATOM 0 H THR A 94 -4.846 5.841 -9.495 1.00 0.00 H new ATOM 0 HA THR A 94 -4.874 7.904 -7.330 1.00 0.00 H new ATOM 0 HB THR A 94 -2.483 7.683 -7.371 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.926 6.154 -9.763 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.200 5.253 -6.978 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.710 5.848 -6.248 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.759 4.942 -7.779 1.00 0.00 H new ATOM 1547 N GLN A 95 -3.922 8.395 -10.472 1.00 0.00 N ATOM 1548 CA GLN A 95 -3.793 9.463 -11.496 1.00 0.00 C ATOM 1549 C GLN A 95 -5.106 10.257 -11.571 1.00 0.00 C ATOM 1550 O GLN A 95 -6.065 9.954 -10.888 1.00 0.00 O ATOM 1551 CB GLN A 95 -3.481 8.807 -12.858 1.00 0.00 C ATOM 1552 CG GLN A 95 -2.523 9.687 -13.661 1.00 0.00 C ATOM 1553 CD GLN A 95 -2.355 9.113 -15.069 1.00 0.00 C ATOM 1554 OE1 GLN A 95 -2.457 7.824 -15.252 1.00 0.00 O flip ATOM 1555 NE2 GLN A 95 -2.129 9.843 -16.013 1.00 0.00 N flip ATOM 0 H GLN A 95 -3.680 7.457 -10.792 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.986 10.147 -11.232 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.039 7.823 -12.703 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.404 8.657 -13.418 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.909 10.705 -13.716 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.556 9.739 -13.161 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.049 10.850 -15.871 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.019 9.449 -16.947 1.00 0.00 H new ATOM 1564 N ARG A 96 -5.154 11.267 -12.395 1.00 0.00 N ATOM 1565 CA ARG A 96 -6.401 12.078 -12.513 1.00 0.00 C ATOM 1566 C ARG A 96 -6.356 12.885 -13.813 1.00 0.00 C ATOM 1567 O ARG A 96 -6.717 14.045 -13.851 1.00 0.00 O ATOM 1568 CB ARG A 96 -6.501 13.028 -11.314 1.00 0.00 C ATOM 1569 CG ARG A 96 -7.937 13.575 -11.186 1.00 0.00 C ATOM 1570 CD ARG A 96 -8.839 12.561 -10.448 1.00 0.00 C ATOM 1571 NE ARG A 96 -10.179 12.498 -11.115 1.00 0.00 N ATOM 1572 CZ ARG A 96 -10.833 13.587 -11.429 1.00 0.00 C ATOM 1573 NH1 ARG A 96 -10.401 14.755 -11.037 1.00 0.00 N ATOM 1574 NH2 ARG A 96 -11.950 13.503 -12.099 1.00 0.00 N ATOM 0 H ARG A 96 -4.384 11.567 -12.993 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.271 11.422 -12.526 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.221 12.503 -10.401 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.799 13.853 -11.435 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.925 14.521 -10.645 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.344 13.779 -12.176 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.373 11.575 -10.452 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.955 12.855 -9.405 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.589 11.589 -11.328 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.548 14.823 -10.482 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.916 15.599 -11.286 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.311 12.590 -12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.462 14.350 -12.345 1.00 0.00 H new ATOM 1588 N LYS A 97 -5.912 12.278 -14.879 1.00 0.00 N ATOM 1589 CA LYS A 97 -5.836 12.997 -16.175 1.00 0.00 C ATOM 1590 C LYS A 97 -7.180 13.666 -16.473 1.00 0.00 C ATOM 1591 O LYS A 97 -7.268 14.574 -17.275 1.00 0.00 O ATOM 1592 CB LYS A 97 -5.502 12.007 -17.292 1.00 0.00 C ATOM 1593 CG LYS A 97 -5.089 12.781 -18.550 1.00 0.00 C ATOM 1594 CD LYS A 97 -4.746 11.801 -19.693 1.00 0.00 C ATOM 1595 CE LYS A 97 -6.008 11.454 -20.496 1.00 0.00 C ATOM 1596 NZ LYS A 97 -5.635 10.593 -21.653 1.00 0.00 N ATOM 0 H LYS A 97 -5.597 11.308 -14.905 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.057 13.758 -16.118 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.695 11.345 -16.977 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.366 11.378 -17.506 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.898 13.443 -18.860 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.227 13.411 -18.331 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.999 12.246 -20.351 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.307 10.892 -19.282 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.727 10.937 -19.860 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.491 12.366 -20.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.488 10.356 -22.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.964 11.102 -22.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.192 9.718 -21.306 1.00 0.00 H new ATOM 1610 N GLU A 98 -8.229 13.218 -15.839 1.00 0.00 N ATOM 1611 CA GLU A 98 -9.569 13.822 -16.090 1.00 0.00 C ATOM 1612 C GLU A 98 -9.583 15.268 -15.590 1.00 0.00 C ATOM 1613 O GLU A 98 -9.869 15.534 -14.440 1.00 0.00 O ATOM 1614 CB GLU A 98 -10.638 13.016 -15.349 1.00 0.00 C ATOM 1615 CG GLU A 98 -10.864 11.685 -16.069 1.00 0.00 C ATOM 1616 CD GLU A 98 -11.591 11.936 -17.392 1.00 0.00 C ATOM 1617 OE1 GLU A 98 -12.741 12.339 -17.346 1.00 0.00 O ATOM 1618 OE2 GLU A 98 -10.985 11.720 -18.429 1.00 0.00 O ATOM 0 H GLU A 98 -8.216 12.459 -15.157 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.778 13.808 -17.160 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.325 12.837 -14.320 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -11.569 13.581 -15.305 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.909 11.193 -16.254 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.451 11.015 -15.441 1.00 0.00 H new ATOM 1625 N PHE A 99 -9.281 16.204 -16.447 1.00 0.00 N ATOM 1626 CA PHE A 99 -9.281 17.632 -16.023 1.00 0.00 C ATOM 1627 C PHE A 99 -9.109 18.530 -17.251 1.00 0.00 C ATOM 1628 O PHE A 99 -8.457 18.099 -18.187 1.00 0.00 O ATOM 1629 CB PHE A 99 -8.127 17.877 -15.048 1.00 0.00 C ATOM 1630 CG PHE A 99 -8.195 19.297 -14.533 1.00 0.00 C ATOM 1631 CD1 PHE A 99 -7.539 20.326 -15.224 1.00 0.00 C ATOM 1632 CD2 PHE A 99 -8.914 19.587 -13.365 1.00 0.00 C ATOM 1633 CE1 PHE A 99 -7.603 21.641 -14.747 1.00 0.00 C ATOM 1634 CE2 PHE A 99 -8.976 20.903 -12.890 1.00 0.00 C ATOM 1635 CZ PHE A 99 -8.320 21.929 -13.580 1.00 0.00 C ATOM 1636 OXT PHE A 99 -9.632 19.631 -17.232 1.00 0.00 O ATOM 0 H PHE A 99 -9.034 16.041 -17.423 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.226 17.863 -15.532 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.184 17.174 -14.217 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.173 17.705 -15.546 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.985 20.104 -16.124 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.420 18.796 -12.832 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -7.099 22.434 -15.280 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.530 21.126 -11.991 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.367 22.943 -13.212 1.00 0.00 H new TER 1646 PHE A 99