USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 HIS : no HE2:sc= -3.94! C(o=-7.7!,f=-6!) USER MOD Set 1.2: A 94 ASN : amide:sc= -3.81! K(o=-7.7!,f=-4.4) USER MOD Set 2.1: A 5 HIS : no HD1:sc= -1.08 K(o=-5.4,f=-6.4) USER MOD Set 2.2: A 86 GLN : amide:sc= -4.35! C(o=-5.4!,f=-11!) USER MOD Single : A 6 HIS : no HD1:sc= -2.57 X(o=-2.6,f=-2.4!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 29:sc= -5.49! USER MOD Single : A 12 ASN : amide:sc= 0.28 K(o=0.28,f=-8.8!) USER MOD Single : A 15 SER OG : rot 29:sc= 0.316! USER MOD Single : A 16 SER OG : rot -170:sc= -1.36 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 19 ASN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -18.7! C(o=-19!,f=-19!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -60:sc= -1.63! USER MOD Single : A 47 SER OG : rot 29:sc= -3.71! USER MOD Single : A 55 LYS NZ :NH3+ -141:sc= -6.91! (180deg=-9.52!) USER MOD Single : A 56 HIS : no HD1:sc= -5.9! C(o=-5.9!,f=-3.6!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 77 SER OG : rot 180:sc=-0.00569 USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= -0.0927 (180deg=-0.668) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.305 K(o=-0.31,f=-1.2) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.05 K(o=-1,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.249 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 100 THR OG1 : rot 67:sc= -5.92! USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 92.064 -0.947 -15.064 1.00 0.00 N ATOM 31 CA LEU A 3 92.108 -0.741 -13.590 1.00 0.00 C ATOM 32 C LEU A 3 90.900 -1.430 -12.935 1.00 0.00 C ATOM 33 O LEU A 3 89.775 -1.236 -13.343 1.00 0.00 O ATOM 34 CB LEU A 3 92.061 0.760 -13.286 1.00 0.00 C ATOM 35 CG LEU A 3 93.323 1.430 -13.832 1.00 0.00 C ATOM 36 CD1 LEU A 3 93.240 2.944 -13.620 1.00 0.00 C ATOM 37 CD2 LEU A 3 94.541 0.878 -13.093 1.00 0.00 C ATOM 0 HA LEU A 3 93.028 -1.169 -13.192 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.175 1.206 -13.738 1.00 0.00 H new ATOM 0 HB3 LEU A 3 91.986 0.922 -12.211 1.00 0.00 H new ATOM 0 HG LEU A 3 93.412 1.224 -14.899 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.141 3.416 -14.011 1.00 0.00 H new ATOM 0 HD12 LEU A 3 92.368 3.337 -14.143 1.00 0.00 H new ATOM 0 HD13 LEU A 3 93.151 3.158 -12.555 1.00 0.00 H new ATOM 0 HD21 LEU A 3 95.445 1.351 -13.477 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.446 1.088 -12.028 1.00 0.00 H new ATOM 0 HD23 LEU A 3 94.602 -0.199 -13.246 1.00 0.00 H new ATOM 49 N PRO A 4 91.125 -2.223 -11.921 1.00 0.00 N ATOM 50 CA PRO A 4 90.029 -2.941 -11.212 1.00 0.00 C ATOM 51 C PRO A 4 89.127 -1.982 -10.432 1.00 0.00 C ATOM 52 O PRO A 4 88.143 -2.378 -9.841 1.00 0.00 O ATOM 53 CB PRO A 4 90.752 -3.892 -10.259 1.00 0.00 C ATOM 54 CG PRO A 4 92.125 -3.334 -10.083 1.00 0.00 C ATOM 55 CD PRO A 4 92.441 -2.513 -11.334 1.00 0.00 C ATOM 0 HA PRO A 4 89.371 -3.458 -11.911 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.232 -3.957 -9.303 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.791 -4.901 -10.670 1.00 0.00 H new ATOM 0 HG2 PRO A 4 92.176 -2.711 -9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.853 -4.135 -9.954 1.00 0.00 H new ATOM 0 HD2 PRO A 4 92.975 -1.597 -11.084 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.071 -3.071 -12.027 1.00 0.00 H new ATOM 63 N HIS A 5 89.463 -0.720 -10.420 1.00 0.00 N ATOM 64 CA HIS A 5 88.629 0.262 -9.669 1.00 0.00 C ATOM 65 C HIS A 5 87.408 0.661 -10.505 1.00 0.00 C ATOM 66 O HIS A 5 86.535 1.369 -10.045 1.00 0.00 O ATOM 67 CB HIS A 5 89.462 1.510 -9.354 1.00 0.00 C ATOM 68 CG HIS A 5 90.595 1.141 -8.433 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.381 0.518 -7.213 1.00 0.00 N ATOM 70 CD2 HIS A 5 91.956 1.299 -8.539 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.583 0.326 -6.639 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.578 0.783 -7.404 1.00 0.00 N ATOM 0 H HIS A 5 90.276 -0.328 -10.896 1.00 0.00 H new ATOM 0 HA HIS A 5 88.292 -0.196 -8.739 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.854 1.940 -10.276 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.835 2.271 -8.889 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.466 1.754 -9.375 1.00 0.00 H new ATOM 0 HE1 HIS A 5 91.726 -0.141 -5.676 1.00 0.00 H new ATOM 0 HE2 HIS A 5 93.577 0.759 -7.201 1.00 0.00 H new ATOM 80 N HIS A 6 87.343 0.217 -11.733 1.00 0.00 N ATOM 81 CA HIS A 6 86.176 0.574 -12.594 1.00 0.00 C ATOM 82 C HIS A 6 84.951 -0.254 -12.191 1.00 0.00 C ATOM 83 O HIS A 6 83.826 0.187 -12.320 1.00 0.00 O ATOM 84 CB HIS A 6 86.504 0.281 -14.059 1.00 0.00 C ATOM 85 CG HIS A 6 87.658 1.135 -14.510 1.00 0.00 C ATOM 86 ND1 HIS A 6 87.614 2.520 -14.480 1.00 0.00 N ATOM 87 CD2 HIS A 6 88.888 0.810 -15.029 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.785 2.974 -14.968 1.00 0.00 C ATOM 89 NE2 HIS A 6 89.597 1.974 -15.316 1.00 0.00 N ATOM 0 H HIS A 6 88.045 -0.376 -12.176 1.00 0.00 H new ATOM 0 HA HIS A 6 85.961 1.635 -12.465 1.00 0.00 H new ATOM 0 HB2 HIS A 6 86.752 -0.773 -14.181 1.00 0.00 H new ATOM 0 HB3 HIS A 6 85.631 0.477 -14.682 1.00 0.00 H new ATOM 0 HD2 HIS A 6 89.250 -0.195 -15.190 1.00 0.00 H new ATOM 0 HE1 HIS A 6 89.036 4.020 -15.066 1.00 0.00 H new ATOM 0 HE2 HIS A 6 90.536 2.046 -15.708 1.00 0.00 H new ATOM 97 N ASP A 7 85.158 -1.454 -11.719 1.00 0.00 N ATOM 98 CA ASP A 7 84.008 -2.313 -11.326 1.00 0.00 C ATOM 99 C ASP A 7 83.897 -2.373 -9.798 1.00 0.00 C ATOM 100 O ASP A 7 84.868 -2.579 -9.099 1.00 0.00 O ATOM 101 CB ASP A 7 84.208 -3.721 -11.895 1.00 0.00 C ATOM 102 CG ASP A 7 84.051 -3.681 -13.419 1.00 0.00 C ATOM 103 OD1 ASP A 7 83.130 -3.027 -13.883 1.00 0.00 O ATOM 104 OD2 ASP A 7 84.850 -4.306 -14.096 1.00 0.00 O ATOM 0 H ASP A 7 86.077 -1.876 -11.589 1.00 0.00 H new ATOM 0 HA ASP A 7 83.087 -1.890 -11.726 1.00 0.00 H new ATOM 0 HB2 ASP A 7 85.197 -4.095 -11.630 1.00 0.00 H new ATOM 0 HB3 ASP A 7 83.481 -4.407 -11.461 1.00 0.00 H new ATOM 109 N GLU A 8 82.713 -2.188 -9.282 1.00 0.00 N ATOM 110 CA GLU A 8 82.517 -2.224 -7.800 1.00 0.00 C ATOM 111 C GLU A 8 82.769 -3.634 -7.258 1.00 0.00 C ATOM 112 O GLU A 8 83.152 -3.817 -6.120 1.00 0.00 O ATOM 113 CB GLU A 8 81.075 -1.836 -7.477 1.00 0.00 C ATOM 114 CG GLU A 8 80.847 -0.357 -7.786 1.00 0.00 C ATOM 115 CD GLU A 8 79.346 -0.062 -7.739 1.00 0.00 C ATOM 116 OE1 GLU A 8 78.578 -1.011 -7.704 1.00 0.00 O ATOM 117 OE2 GLU A 8 78.989 1.103 -7.738 1.00 0.00 O ATOM 0 H GLU A 8 81.867 -2.012 -9.824 1.00 0.00 H new ATOM 0 HA GLU A 8 83.218 -1.529 -7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.386 -2.448 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.864 -2.033 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.375 0.264 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.248 -0.112 -8.770 1.00 0.00 H new ATOM 124 N LYS A 9 82.524 -4.626 -8.054 1.00 0.00 N ATOM 125 CA LYS A 9 82.704 -6.029 -7.586 1.00 0.00 C ATOM 126 C LYS A 9 84.139 -6.268 -7.107 1.00 0.00 C ATOM 127 O LYS A 9 84.370 -7.049 -6.206 1.00 0.00 O ATOM 128 CB LYS A 9 82.432 -6.967 -8.753 1.00 0.00 C ATOM 129 CG LYS A 9 83.626 -6.888 -9.699 1.00 0.00 C ATOM 130 CD LYS A 9 83.268 -7.477 -11.059 1.00 0.00 C ATOM 131 CE LYS A 9 84.275 -6.978 -12.096 1.00 0.00 C ATOM 132 NZ LYS A 9 84.755 -8.128 -12.918 1.00 0.00 N ATOM 0 H LYS A 9 82.204 -4.530 -9.018 1.00 0.00 H new ATOM 0 HA LYS A 9 82.018 -6.211 -6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 9 82.292 -7.988 -8.398 1.00 0.00 H new ATOM 0 HB3 LYS A 9 81.516 -6.680 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 9 83.937 -5.850 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 9 84.472 -7.428 -9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 9 83.282 -8.566 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 9 82.258 -7.183 -11.343 1.00 0.00 H new ATOM 0 HE2 LYS A 9 83.812 -6.228 -12.737 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.117 -6.496 -11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 85.440 -7.789 -13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 85.212 -8.829 -12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 83.948 -8.569 -13.404 1.00 0.00 H new ATOM 146 N THR A 10 85.106 -5.633 -7.706 1.00 0.00 N ATOM 147 CA THR A 10 86.514 -5.869 -7.276 1.00 0.00 C ATOM 148 C THR A 10 86.736 -5.364 -5.840 1.00 0.00 C ATOM 149 O THR A 10 87.531 -5.912 -5.100 1.00 0.00 O ATOM 150 CB THR A 10 87.470 -5.179 -8.254 1.00 0.00 C ATOM 151 OG1 THR A 10 87.143 -3.802 -8.351 1.00 0.00 O ATOM 152 CG2 THR A 10 87.362 -5.842 -9.633 1.00 0.00 C ATOM 0 H THR A 10 84.986 -4.966 -8.468 1.00 0.00 H new ATOM 0 HA THR A 10 86.715 -6.940 -7.284 1.00 0.00 H new ATOM 0 HB THR A 10 88.493 -5.276 -7.890 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.744 -3.500 -7.508 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.043 -5.350 -10.328 1.00 0.00 H new ATOM 0 HG22 THR A 10 87.626 -6.896 -9.552 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.340 -5.752 -10.001 1.00 0.00 H new ATOM 160 N TRP A 11 86.039 -4.344 -5.428 1.00 0.00 N ATOM 161 CA TRP A 11 86.222 -3.840 -4.032 1.00 0.00 C ATOM 162 C TRP A 11 84.898 -3.931 -3.271 1.00 0.00 C ATOM 163 O TRP A 11 84.873 -4.087 -2.067 1.00 0.00 O ATOM 164 CB TRP A 11 86.685 -2.386 -4.068 1.00 0.00 C ATOM 165 CG TRP A 11 86.434 -1.832 -5.429 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.134 -2.164 -6.533 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.430 -0.865 -5.852 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.620 -1.472 -7.614 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.572 -0.652 -7.243 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.421 -0.162 -5.171 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.743 0.233 -7.935 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.584 0.728 -5.861 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.744 0.926 -7.242 1.00 0.00 C ATOM 0 H TRP A 11 85.354 -3.838 -5.990 1.00 0.00 H new ATOM 0 HA TRP A 11 86.972 -4.449 -3.528 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.151 -1.802 -3.319 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.746 -2.322 -3.825 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.961 -2.857 -6.567 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.971 -1.557 -8.568 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.289 -0.308 -4.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.872 0.382 -8.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 82.813 1.263 -5.327 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.097 1.612 -7.769 1.00 0.00 H new ATOM 184 N ASN A 12 83.799 -3.836 -3.963 1.00 0.00 N ATOM 185 CA ASN A 12 82.478 -3.917 -3.280 1.00 0.00 C ATOM 186 C ASN A 12 82.089 -5.384 -3.087 1.00 0.00 C ATOM 187 O ASN A 12 82.145 -6.176 -4.008 1.00 0.00 O ATOM 188 CB ASN A 12 81.412 -3.212 -4.124 1.00 0.00 C ATOM 189 CG ASN A 12 80.122 -3.088 -3.308 1.00 0.00 C ATOM 190 OD1 ASN A 12 80.050 -3.550 -2.188 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.095 -2.477 -3.827 1.00 0.00 N ATOM 0 H ASN A 12 83.757 -3.706 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 12 82.548 -3.428 -2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.763 -2.224 -4.423 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.225 -3.775 -5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 12 78.231 -2.387 -3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.155 -2.088 -4.768 1.00 0.00 H new ATOM 198 N VAL A 13 81.698 -5.754 -1.898 1.00 0.00 N ATOM 199 CA VAL A 13 81.305 -7.170 -1.654 1.00 0.00 C ATOM 200 C VAL A 13 79.784 -7.299 -1.766 1.00 0.00 C ATOM 201 O VAL A 13 79.247 -8.386 -1.827 1.00 0.00 O ATOM 202 CB VAL A 13 81.723 -7.576 -0.245 1.00 0.00 C ATOM 203 CG1 VAL A 13 81.410 -9.052 -0.014 1.00 0.00 C ATOM 204 CG2 VAL A 13 83.218 -7.330 -0.043 1.00 0.00 C ATOM 0 H VAL A 13 81.634 -5.138 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 13 81.792 -7.811 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 13 81.165 -6.973 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 13 81.712 -9.334 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 13 80.340 -9.220 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 13 81.955 -9.657 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.502 -7.624 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.784 -7.918 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.435 -6.272 -0.187 1.00 0.00 H new ATOM 214 N GLY A 14 79.084 -6.196 -1.784 1.00 0.00 N ATOM 215 CA GLY A 14 77.599 -6.256 -1.886 1.00 0.00 C ATOM 216 C GLY A 14 77.000 -6.462 -0.492 1.00 0.00 C ATOM 217 O GLY A 14 77.621 -6.156 0.507 1.00 0.00 O ATOM 0 H GLY A 14 79.478 -5.256 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 14 77.216 -5.335 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.302 -7.071 -2.545 1.00 0.00 H new ATOM 221 N SER A 15 75.797 -6.969 -0.412 1.00 0.00 N ATOM 222 CA SER A 15 75.164 -7.180 0.924 1.00 0.00 C ATOM 223 C SER A 15 75.968 -8.210 1.722 1.00 0.00 C ATOM 224 O SER A 15 76.312 -9.263 1.225 1.00 0.00 O ATOM 225 CB SER A 15 73.740 -7.702 0.738 1.00 0.00 C ATOM 226 OG SER A 15 73.789 -9.002 0.161 1.00 0.00 O ATOM 0 H SER A 15 75.227 -7.245 -1.211 1.00 0.00 H new ATOM 0 HA SER A 15 75.145 -6.232 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 15 73.224 -7.736 1.698 1.00 0.00 H new ATOM 0 HB3 SER A 15 73.174 -7.027 0.096 1.00 0.00 H new ATOM 0 HG SER A 15 74.623 -9.445 0.423 1.00 0.00 H new ATOM 232 N SER A 16 76.260 -7.917 2.961 1.00 0.00 N ATOM 233 CA SER A 16 77.035 -8.882 3.793 1.00 0.00 C ATOM 234 C SER A 16 77.171 -8.339 5.217 1.00 0.00 C ATOM 235 O SER A 16 76.923 -7.179 5.477 1.00 0.00 O ATOM 236 CB SER A 16 78.430 -9.087 3.198 1.00 0.00 C ATOM 237 OG SER A 16 79.123 -10.076 3.950 1.00 0.00 O ATOM 0 H SER A 16 75.996 -7.052 3.432 1.00 0.00 H new ATOM 0 HA SER A 16 76.507 -9.835 3.811 1.00 0.00 H new ATOM 0 HB2 SER A 16 78.351 -9.396 2.156 1.00 0.00 H new ATOM 0 HB3 SER A 16 78.985 -8.149 3.212 1.00 0.00 H new ATOM 0 HG SER A 16 80.063 -10.097 3.674 1.00 0.00 H new ATOM 243 N ASN A 17 77.561 -9.176 6.140 1.00 0.00 N ATOM 244 CA ASN A 17 77.716 -8.721 7.551 1.00 0.00 C ATOM 245 C ASN A 17 79.177 -8.333 7.813 1.00 0.00 C ATOM 246 O ASN A 17 80.090 -8.904 7.249 1.00 0.00 O ATOM 247 CB ASN A 17 77.322 -9.862 8.496 1.00 0.00 C ATOM 248 CG ASN A 17 75.838 -10.192 8.322 1.00 0.00 C ATOM 249 OD1 ASN A 17 75.050 -9.343 7.953 1.00 0.00 O ATOM 250 ND2 ASN A 17 75.424 -11.403 8.575 1.00 0.00 N ATOM 0 H ASN A 17 77.780 -10.159 5.977 1.00 0.00 H new ATOM 0 HA ASN A 17 77.075 -7.857 7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 17 77.927 -10.744 8.287 1.00 0.00 H new ATOM 0 HB3 ASN A 17 77.521 -9.576 9.529 1.00 0.00 H new ATOM 0 HD21 ASN A 17 74.438 -11.639 8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 17 76.086 -12.114 8.884 1.00 0.00 H new ATOM 257 N ARG A 18 79.406 -7.372 8.668 1.00 0.00 N ATOM 258 CA ARG A 18 80.809 -6.957 8.971 1.00 0.00 C ATOM 259 C ARG A 18 81.596 -8.143 9.536 1.00 0.00 C ATOM 260 O ARG A 18 82.771 -8.296 9.265 1.00 0.00 O ATOM 261 CB ARG A 18 80.789 -5.809 9.981 1.00 0.00 C ATOM 262 CG ARG A 18 80.575 -4.486 9.233 1.00 0.00 C ATOM 263 CD ARG A 18 81.913 -3.993 8.659 1.00 0.00 C ATOM 264 NE ARG A 18 82.092 -2.559 9.022 1.00 0.00 N ATOM 265 CZ ARG A 18 81.113 -1.716 8.856 1.00 0.00 C ATOM 266 NH1 ARG A 18 80.026 -2.095 8.242 1.00 0.00 N ATOM 267 NH2 ARG A 18 81.230 -0.487 9.279 1.00 0.00 N ATOM 0 H ARG A 18 78.683 -6.856 9.170 1.00 0.00 H new ATOM 0 HA ARG A 18 81.295 -6.623 8.054 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.992 -5.962 10.709 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.727 -5.780 10.536 1.00 0.00 H new ATOM 0 HG2 ARG A 18 79.852 -4.625 8.429 1.00 0.00 H new ATOM 0 HG3 ARG A 18 80.160 -3.738 9.909 1.00 0.00 H new ATOM 0 HD2 ARG A 18 82.736 -4.588 9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 18 81.926 -4.113 7.576 1.00 0.00 H new ATOM 0 HE ARG A 18 82.983 -2.237 9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 18 79.944 -3.050 7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 18 79.258 -1.436 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 18 82.089 -0.186 9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 18 80.463 0.172 9.149 1.00 0.00 H new ATOM 281 N ASN A 19 80.974 -8.993 10.308 1.00 0.00 N ATOM 282 CA ASN A 19 81.726 -10.158 10.857 1.00 0.00 C ATOM 283 C ASN A 19 82.309 -10.952 9.687 1.00 0.00 C ATOM 284 O ASN A 19 83.470 -11.314 9.680 1.00 0.00 O ATOM 285 CB ASN A 19 80.778 -11.056 11.654 1.00 0.00 C ATOM 286 CG ASN A 19 81.588 -12.109 12.413 1.00 0.00 C ATOM 287 OD1 ASN A 19 81.429 -13.292 12.191 1.00 0.00 O ATOM 288 ND2 ASN A 19 82.453 -11.724 13.311 1.00 0.00 N ATOM 0 H ASN A 19 79.993 -8.934 10.579 1.00 0.00 H new ATOM 0 HA ASN A 19 82.523 -9.809 11.514 1.00 0.00 H new ATOM 0 HB2 ASN A 19 80.195 -10.457 12.353 1.00 0.00 H new ATOM 0 HB3 ASN A 19 80.070 -11.541 10.983 1.00 0.00 H new ATOM 0 HD21 ASN A 19 82.996 -12.417 13.826 1.00 0.00 H new ATOM 0 HD22 ASN A 19 82.586 -10.730 13.497 1.00 0.00 H new ATOM 295 N LYS A 20 81.516 -11.201 8.682 1.00 0.00 N ATOM 296 CA LYS A 20 82.031 -11.940 7.499 1.00 0.00 C ATOM 297 C LYS A 20 83.183 -11.133 6.904 1.00 0.00 C ATOM 298 O LYS A 20 84.156 -11.675 6.421 1.00 0.00 O ATOM 299 CB LYS A 20 80.905 -12.110 6.473 1.00 0.00 C ATOM 300 CG LYS A 20 81.399 -12.942 5.287 1.00 0.00 C ATOM 301 CD LYS A 20 80.258 -13.119 4.280 1.00 0.00 C ATOM 302 CE LYS A 20 80.825 -13.600 2.945 1.00 0.00 C ATOM 303 NZ LYS A 20 79.718 -13.750 1.956 1.00 0.00 N ATOM 0 H LYS A 20 80.536 -10.925 8.630 1.00 0.00 H new ATOM 0 HA LYS A 20 82.385 -12.931 7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.048 -12.598 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 20 80.567 -11.133 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 20 82.246 -12.449 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 20 81.749 -13.915 5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 20 79.533 -13.839 4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 20 79.730 -12.175 4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 20 81.563 -12.889 2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 20 81.339 -14.552 3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 80.106 -14.077 1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 79.029 -14.444 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 79.247 -12.833 1.821 1.00 0.00 H new ATOM 317 N ALA A 21 83.087 -9.829 6.955 1.00 0.00 N ATOM 318 CA ALA A 21 84.184 -8.983 6.416 1.00 0.00 C ATOM 319 C ALA A 21 85.466 -9.303 7.180 1.00 0.00 C ATOM 320 O ALA A 21 86.542 -9.360 6.621 1.00 0.00 O ATOM 321 CB ALA A 21 83.838 -7.503 6.611 1.00 0.00 C ATOM 0 H ALA A 21 82.296 -9.318 7.347 1.00 0.00 H new ATOM 0 HA ALA A 21 84.317 -9.184 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.644 -6.886 6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 21 82.912 -7.273 6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.711 -7.296 7.674 1.00 0.00 H new ATOM 327 N GLU A 22 85.356 -9.515 8.463 1.00 0.00 N ATOM 328 CA GLU A 22 86.566 -9.831 9.272 1.00 0.00 C ATOM 329 C GLU A 22 87.290 -11.015 8.634 1.00 0.00 C ATOM 330 O GLU A 22 88.481 -10.981 8.423 1.00 0.00 O ATOM 331 CB GLU A 22 86.147 -10.193 10.699 1.00 0.00 C ATOM 332 CG GLU A 22 85.591 -8.945 11.390 1.00 0.00 C ATOM 333 CD GLU A 22 85.118 -9.299 12.801 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.269 -10.445 13.186 1.00 0.00 O ATOM 335 OE2 GLU A 22 84.619 -8.411 13.476 1.00 0.00 O ATOM 0 H GLU A 22 84.481 -9.483 8.985 1.00 0.00 H new ATOM 0 HA GLU A 22 87.228 -8.966 9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.393 -10.980 10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.001 -10.581 11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 22 86.358 -8.172 11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 22 84.763 -8.537 10.811 1.00 0.00 H new ATOM 342 N ASN A 23 86.573 -12.052 8.299 1.00 0.00 N ATOM 343 CA ASN A 23 87.223 -13.219 7.647 1.00 0.00 C ATOM 344 C ASN A 23 87.809 -12.742 6.320 1.00 0.00 C ATOM 345 O ASN A 23 88.915 -13.086 5.954 1.00 0.00 O ATOM 346 CB ASN A 23 86.193 -14.327 7.401 1.00 0.00 C ATOM 347 CG ASN A 23 85.277 -13.948 6.235 1.00 0.00 C ATOM 348 OD1 ASN A 23 85.739 -13.681 5.143 1.00 0.00 O ATOM 349 ND2 ASN A 23 83.984 -13.919 6.420 1.00 0.00 N ATOM 0 H ASN A 23 85.568 -12.140 8.449 1.00 0.00 H new ATOM 0 HA ASN A 23 88.008 -13.624 8.286 1.00 0.00 H new ATOM 0 HB2 ASN A 23 86.703 -15.265 7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 23 85.600 -14.489 8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 23 83.364 -13.673 5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 23 83.595 -14.143 7.336 1.00 0.00 H new ATOM 356 N LEU A 24 87.082 -11.918 5.609 1.00 0.00 N ATOM 357 CA LEU A 24 87.606 -11.383 4.324 1.00 0.00 C ATOM 358 C LEU A 24 88.823 -10.506 4.628 1.00 0.00 C ATOM 359 O LEU A 24 89.730 -10.383 3.829 1.00 0.00 O ATOM 360 CB LEU A 24 86.535 -10.536 3.623 1.00 0.00 C ATOM 361 CG LEU A 24 85.409 -11.436 3.107 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.312 -10.570 2.487 1.00 0.00 C ATOM 363 CD2 LEU A 24 85.963 -12.391 2.043 1.00 0.00 C ATOM 0 H LEU A 24 86.149 -11.595 5.866 1.00 0.00 H new ATOM 0 HA LEU A 24 87.882 -12.210 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.132 -9.798 4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 24 86.980 -9.985 2.794 1.00 0.00 H new ATOM 0 HG LEU A 24 84.997 -12.013 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 24 83.509 -11.208 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 24 83.917 -9.888 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 24 84.727 -9.995 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.161 -13.032 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 24 86.374 -11.814 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 24 86.748 -13.007 2.481 1.00 0.00 H new ATOM 375 N LEU A 25 88.840 -9.886 5.782 1.00 0.00 N ATOM 376 CA LEU A 25 89.990 -9.006 6.148 1.00 0.00 C ATOM 377 C LEU A 25 91.026 -9.808 6.937 1.00 0.00 C ATOM 378 O LEU A 25 92.121 -9.345 7.189 1.00 0.00 O ATOM 379 CB LEU A 25 89.484 -7.863 7.032 1.00 0.00 C ATOM 380 CG LEU A 25 88.504 -6.990 6.249 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.609 -6.238 7.233 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.278 -5.977 5.400 1.00 0.00 C ATOM 0 H LEU A 25 88.105 -9.952 6.487 1.00 0.00 H new ATOM 0 HA LEU A 25 90.444 -8.612 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.995 -8.267 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.324 -7.261 7.378 1.00 0.00 H new ATOM 0 HG LEU A 25 87.898 -7.620 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.907 -5.613 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 25 87.057 -6.953 7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.224 -5.611 7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.576 -5.357 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.884 -5.345 6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 25 89.926 -6.507 4.702 1.00 0.00 H new ATOM 394 N ARG A 26 90.685 -11.000 7.349 1.00 0.00 N ATOM 395 CA ARG A 26 91.649 -11.815 8.139 1.00 0.00 C ATOM 396 C ARG A 26 92.657 -12.462 7.204 1.00 0.00 C ATOM 397 O ARG A 26 93.854 -12.381 7.399 1.00 0.00 O ATOM 398 CB ARG A 26 90.881 -12.876 8.950 1.00 0.00 C ATOM 399 CG ARG A 26 90.988 -14.254 8.288 1.00 0.00 C ATOM 400 CD ARG A 26 90.174 -15.270 9.098 1.00 0.00 C ATOM 401 NE ARG A 26 91.009 -16.479 9.362 1.00 0.00 N ATOM 402 CZ ARG A 26 90.633 -17.358 10.252 1.00 0.00 C ATOM 403 NH1 ARG A 26 89.503 -17.196 10.891 1.00 0.00 N ATOM 404 NH2 ARG A 26 91.380 -18.401 10.499 1.00 0.00 N ATOM 0 H ARG A 26 89.783 -11.442 7.173 1.00 0.00 H new ATOM 0 HA ARG A 26 92.192 -11.177 8.836 1.00 0.00 H new ATOM 0 HB2 ARG A 26 91.279 -12.923 9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 26 89.833 -12.588 9.032 1.00 0.00 H new ATOM 0 HG2 ARG A 26 90.618 -14.208 7.264 1.00 0.00 H new ATOM 0 HG3 ARG A 26 92.031 -14.565 8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 26 89.851 -14.826 10.039 1.00 0.00 H new ATOM 0 HD3 ARG A 26 89.273 -15.549 8.551 1.00 0.00 H new ATOM 0 HE ARG A 26 91.877 -16.619 8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 26 88.917 -16.384 10.694 1.00 0.00 H new ATOM 0 HH12 ARG A 26 89.208 -17.881 11.586 1.00 0.00 H new ATOM 0 HH21 ARG A 26 92.258 -18.530 9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 26 91.085 -19.086 11.194 1.00 0.00 H new ATOM 418 N GLY A 27 92.176 -13.083 6.185 1.00 0.00 N ATOM 419 CA GLY A 27 93.084 -13.732 5.205 1.00 0.00 C ATOM 420 C GLY A 27 93.469 -12.702 4.140 1.00 0.00 C ATOM 421 O GLY A 27 93.779 -13.044 3.016 1.00 0.00 O ATOM 0 H GLY A 27 91.181 -13.175 5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 27 93.975 -14.109 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 27 92.592 -14.588 4.743 1.00 0.00 H new ATOM 425 N LYS A 28 93.437 -11.438 4.481 1.00 0.00 N ATOM 426 CA LYS A 28 93.788 -10.391 3.475 1.00 0.00 C ATOM 427 C LYS A 28 95.056 -9.651 3.893 1.00 0.00 C ATOM 428 O LYS A 28 95.147 -9.103 4.973 1.00 0.00 O ATOM 429 CB LYS A 28 92.640 -9.390 3.352 1.00 0.00 C ATOM 430 CG LYS A 28 92.164 -9.334 1.901 1.00 0.00 C ATOM 431 CD LYS A 28 91.677 -10.716 1.469 1.00 0.00 C ATOM 432 CE LYS A 28 90.455 -10.561 0.561 1.00 0.00 C ATOM 433 NZ LYS A 28 90.014 -11.901 0.088 1.00 0.00 N ATOM 0 H LYS A 28 93.185 -11.088 5.405 1.00 0.00 H new ATOM 0 HA LYS A 28 93.960 -10.877 2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 28 91.817 -9.682 4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 28 92.968 -8.403 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.360 -8.605 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.976 -9.004 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 28 92.471 -11.246 0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.421 -11.314 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.646 -10.071 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 28 90.700 -9.926 -0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 89.184 -11.795 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 90.785 -12.353 -0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 89.765 -12.493 0.906 1.00 0.00 H new ATOM 447 N ARG A 29 96.028 -9.616 3.029 1.00 0.00 N ATOM 448 CA ARG A 29 97.289 -8.898 3.350 1.00 0.00 C ATOM 449 C ARG A 29 97.034 -7.389 3.301 1.00 0.00 C ATOM 450 O ARG A 29 96.087 -6.930 2.695 1.00 0.00 O ATOM 451 CB ARG A 29 98.360 -9.262 2.323 1.00 0.00 C ATOM 452 CG ARG A 29 99.708 -8.687 2.759 1.00 0.00 C ATOM 453 CD ARG A 29 100.790 -9.112 1.767 1.00 0.00 C ATOM 454 NE ARG A 29 101.717 -10.068 2.436 1.00 0.00 N ATOM 455 CZ ARG A 29 102.588 -10.730 1.727 1.00 0.00 C ATOM 456 NH1 ARG A 29 102.666 -10.519 0.443 1.00 0.00 N ATOM 457 NH2 ARG A 29 103.383 -11.591 2.301 1.00 0.00 N ATOM 0 H ARG A 29 96.003 -10.056 2.109 1.00 0.00 H new ATOM 0 HA ARG A 29 97.629 -9.184 4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.430 -10.345 2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 29 98.086 -8.870 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 29 99.652 -7.600 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 29 99.959 -9.039 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.336 -9.578 0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 29 101.340 -8.240 1.414 1.00 0.00 H new ATOM 0 HE ARG A 29 101.670 -10.204 3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 29 102.048 -9.840 -0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 29 103.345 -11.033 -0.118 1.00 0.00 H new ATOM 0 HH21 ARG A 29 103.324 -11.748 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 29 104.063 -12.107 1.743 1.00 0.00 H new ATOM 471 N ASP A 30 97.867 -6.612 3.936 1.00 0.00 N ATOM 472 CA ASP A 30 97.663 -5.134 3.922 1.00 0.00 C ATOM 473 C ASP A 30 97.640 -4.619 2.484 1.00 0.00 C ATOM 474 O ASP A 30 98.251 -5.182 1.597 1.00 0.00 O ATOM 475 CB ASP A 30 98.792 -4.451 4.696 1.00 0.00 C ATOM 476 CG ASP A 30 100.133 -4.719 4.013 1.00 0.00 C ATOM 477 OD1 ASP A 30 100.131 -5.359 2.976 1.00 0.00 O ATOM 478 OD2 ASP A 30 101.140 -4.272 4.538 1.00 0.00 O ATOM 0 H ASP A 30 98.679 -6.934 4.463 1.00 0.00 H new ATOM 0 HA ASP A 30 96.708 -4.904 4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.610 -3.378 4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.817 -4.821 5.721 1.00 0.00 H new ATOM 483 N GLY A 31 96.934 -3.546 2.246 1.00 0.00 N ATOM 484 CA GLY A 31 96.861 -2.986 0.866 1.00 0.00 C ATOM 485 C GLY A 31 95.549 -3.413 0.207 1.00 0.00 C ATOM 486 O GLY A 31 95.108 -2.825 -0.761 1.00 0.00 O ATOM 0 H GLY A 31 96.404 -3.032 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.925 -1.898 0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.707 -3.337 0.275 1.00 0.00 H new ATOM 490 N THR A 32 94.916 -4.429 0.726 1.00 0.00 N ATOM 491 CA THR A 32 93.630 -4.880 0.132 1.00 0.00 C ATOM 492 C THR A 32 92.480 -4.348 0.973 1.00 0.00 C ATOM 493 O THR A 32 92.436 -4.555 2.171 1.00 0.00 O ATOM 494 CB THR A 32 93.557 -6.402 0.131 1.00 0.00 C ATOM 495 OG1 THR A 32 94.687 -6.932 -0.549 1.00 0.00 O ATOM 496 CG2 THR A 32 92.273 -6.838 -0.580 1.00 0.00 C ATOM 0 H THR A 32 95.234 -4.964 1.534 1.00 0.00 H new ATOM 0 HA THR A 32 93.565 -4.509 -0.891 1.00 0.00 H new ATOM 0 HB THR A 32 93.552 -6.773 1.156 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.640 -7.911 -0.548 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.212 -7.926 -0.586 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.410 -6.429 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.282 -6.470 -1.606 1.00 0.00 H new ATOM 504 N PHE A 33 91.534 -3.690 0.374 1.00 0.00 N ATOM 505 CA PHE A 33 90.392 -3.189 1.176 1.00 0.00 C ATOM 506 C PHE A 33 89.092 -3.593 0.495 1.00 0.00 C ATOM 507 O PHE A 33 89.067 -3.921 -0.674 1.00 0.00 O ATOM 508 CB PHE A 33 90.458 -1.665 1.304 1.00 0.00 C ATOM 509 CG PHE A 33 89.646 -1.009 0.215 1.00 0.00 C ATOM 510 CD1 PHE A 33 89.987 -1.185 -1.128 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.543 -0.221 0.558 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.220 -0.572 -2.123 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.783 0.390 -0.444 1.00 0.00 C ATOM 514 CZ PHE A 33 88.123 0.215 -1.777 1.00 0.00 C ATOM 0 H PHE A 33 91.501 -3.479 -0.623 1.00 0.00 H new ATOM 0 HA PHE A 33 90.437 -3.622 2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.082 -1.359 2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.495 -1.333 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 33 90.839 -1.792 -1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.278 -0.084 1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.478 -0.709 -3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.931 0.999 -0.180 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.536 0.690 -2.549 1.00 0.00 H new ATOM 524 N LEU A 34 88.012 -3.577 1.214 1.00 0.00 N ATOM 525 CA LEU A 34 86.716 -3.967 0.595 1.00 0.00 C ATOM 526 C LEU A 34 85.664 -2.893 0.884 1.00 0.00 C ATOM 527 O LEU A 34 85.762 -2.159 1.847 1.00 0.00 O ATOM 528 CB LEU A 34 86.261 -5.317 1.162 1.00 0.00 C ATOM 529 CG LEU A 34 86.300 -5.289 2.687 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.890 -5.057 3.217 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.821 -6.634 3.204 1.00 0.00 C ATOM 0 H LEU A 34 87.966 -3.313 2.198 1.00 0.00 H new ATOM 0 HA LEU A 34 86.841 -4.059 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.250 -5.541 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 34 86.906 -6.112 0.789 1.00 0.00 H new ATOM 0 HG LEU A 34 86.957 -4.488 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.910 -5.036 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 34 84.512 -4.106 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.238 -5.864 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.850 -6.618 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 34 86.159 -7.433 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.825 -6.809 2.816 1.00 0.00 H new ATOM 543 N VAL A 35 84.657 -2.789 0.052 1.00 0.00 N ATOM 544 CA VAL A 35 83.606 -1.757 0.280 1.00 0.00 C ATOM 545 C VAL A 35 82.260 -2.438 0.546 1.00 0.00 C ATOM 546 O VAL A 35 81.843 -3.318 -0.182 1.00 0.00 O ATOM 547 CB VAL A 35 83.492 -0.847 -0.949 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.309 0.110 -0.768 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.781 -0.029 -1.088 1.00 0.00 C ATOM 0 H VAL A 35 84.520 -3.374 -0.772 1.00 0.00 H new ATOM 0 HA VAL A 35 83.881 -1.154 1.146 1.00 0.00 H new ATOM 0 HB VAL A 35 83.338 -1.455 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 35 82.228 0.757 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.390 -0.465 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.467 0.720 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.707 0.621 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.925 0.578 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.629 -0.703 -1.209 1.00 0.00 H new ATOM 559 N ARG A 36 81.575 -2.033 1.583 1.00 0.00 N ATOM 560 CA ARG A 36 80.254 -2.647 1.900 1.00 0.00 C ATOM 561 C ARG A 36 79.347 -1.584 2.498 1.00 0.00 C ATOM 562 O ARG A 36 79.361 -0.437 2.094 1.00 0.00 O ATOM 563 CB ARG A 36 80.420 -3.768 2.924 1.00 0.00 C ATOM 564 CG ARG A 36 81.245 -4.899 2.328 1.00 0.00 C ATOM 565 CD ARG A 36 80.701 -6.243 2.825 1.00 0.00 C ATOM 566 NE ARG A 36 80.047 -6.074 4.160 1.00 0.00 N ATOM 567 CZ ARG A 36 80.628 -5.400 5.113 1.00 0.00 C ATOM 568 NH1 ARG A 36 81.862 -5.004 4.983 1.00 0.00 N ATOM 569 NH2 ARG A 36 79.989 -5.160 6.221 1.00 0.00 N ATOM 0 H ARG A 36 81.876 -1.300 2.226 1.00 0.00 H new ATOM 0 HA ARG A 36 79.826 -3.053 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 36 80.908 -3.384 3.820 1.00 0.00 H new ATOM 0 HB3 ARG A 36 79.442 -4.141 3.229 1.00 0.00 H new ATOM 0 HG2 ARG A 36 81.205 -4.858 1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 36 82.291 -4.790 2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 36 79.983 -6.640 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 36 81.512 -6.967 2.898 1.00 0.00 H new ATOM 0 HE ARG A 36 79.132 -6.493 4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 36 82.380 -5.221 4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 36 82.310 -4.477 5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 36 79.035 -5.499 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 36 80.442 -4.633 6.967 1.00 0.00 H new ATOM 583 N GLU A 37 78.561 -1.954 3.467 1.00 0.00 N ATOM 584 CA GLU A 37 77.663 -0.967 4.095 1.00 0.00 C ATOM 585 C GLU A 37 78.201 -0.643 5.484 1.00 0.00 C ATOM 586 O GLU A 37 79.133 -1.266 5.954 1.00 0.00 O ATOM 587 CB GLU A 37 76.261 -1.571 4.228 1.00 0.00 C ATOM 588 CG GLU A 37 75.771 -2.036 2.855 1.00 0.00 C ATOM 589 CD GLU A 37 76.322 -3.430 2.558 1.00 0.00 C ATOM 590 OE1 GLU A 37 76.920 -4.012 3.447 1.00 0.00 O ATOM 591 OE2 GLU A 37 76.139 -3.892 1.443 1.00 0.00 O ATOM 0 H GLU A 37 78.506 -2.899 3.847 1.00 0.00 H new ATOM 0 HA GLU A 37 77.613 -0.063 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 37 76.280 -2.411 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.573 -0.832 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 37 74.681 -2.053 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.095 -1.335 2.086 1.00 0.00 H new ATOM 677 N TYR A 44 76.909 3.356 3.780 1.00 0.00 N ATOM 678 CA TYR A 44 78.083 2.866 3.007 1.00 0.00 C ATOM 679 C TYR A 44 79.309 2.850 3.920 1.00 0.00 C ATOM 680 O TYR A 44 79.423 3.646 4.831 1.00 0.00 O ATOM 681 CB TYR A 44 78.347 3.796 1.818 1.00 0.00 C ATOM 682 CG TYR A 44 77.178 3.754 0.865 1.00 0.00 C ATOM 683 CD1 TYR A 44 76.028 4.501 1.137 1.00 0.00 C ATOM 684 CD2 TYR A 44 77.244 2.968 -0.292 1.00 0.00 C ATOM 685 CE1 TYR A 44 74.945 4.467 0.253 1.00 0.00 C ATOM 686 CE2 TYR A 44 76.159 2.933 -1.177 1.00 0.00 C ATOM 687 CZ TYR A 44 75.010 3.683 -0.904 1.00 0.00 C ATOM 688 OH TYR A 44 73.937 3.647 -1.775 1.00 0.00 O ATOM 0 HA TYR A 44 77.881 1.861 2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.504 4.816 2.170 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.259 3.493 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 44 75.976 5.105 2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 44 78.131 2.389 -0.502 1.00 0.00 H new ATOM 0 HE1 TYR A 44 74.058 5.046 0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 44 76.209 2.327 -2.070 1.00 0.00 H new ATOM 0 HH TYR A 44 74.147 3.056 -2.528 1.00 0.00 H new ATOM 698 N ALA A 45 80.226 1.954 3.691 1.00 0.00 N ATOM 699 CA ALA A 45 81.434 1.906 4.552 1.00 0.00 C ATOM 700 C ALA A 45 82.459 0.970 3.920 1.00 0.00 C ATOM 701 O ALA A 45 82.113 -0.053 3.364 1.00 0.00 O ATOM 702 CB ALA A 45 81.050 1.383 5.935 1.00 0.00 C ATOM 0 H ALA A 45 80.190 1.256 2.948 1.00 0.00 H new ATOM 0 HA ALA A 45 81.859 2.905 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 45 81.936 1.347 6.569 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.310 2.047 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 45 80.630 0.382 5.842 1.00 0.00 H new ATOM 708 N CYS A 46 83.716 1.302 4.004 1.00 0.00 N ATOM 709 CA CYS A 46 84.746 0.415 3.411 1.00 0.00 C ATOM 710 C CYS A 46 85.762 0.058 4.484 1.00 0.00 C ATOM 711 O CYS A 46 86.035 0.826 5.384 1.00 0.00 O ATOM 712 CB CYS A 46 85.455 1.128 2.255 1.00 0.00 C ATOM 713 SG CYS A 46 86.546 2.408 2.924 1.00 0.00 S ATOM 0 H CYS A 46 84.071 2.145 4.456 1.00 0.00 H new ATOM 0 HA CYS A 46 84.270 -0.488 3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.031 0.412 1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 46 84.722 1.573 1.582 1.00 0.00 H new ATOM 0 HG CYS A 46 85.843 3.269 3.599 1.00 0.00 H new ATOM 719 N SER A 47 86.318 -1.110 4.399 1.00 0.00 N ATOM 720 CA SER A 47 87.315 -1.526 5.418 1.00 0.00 C ATOM 721 C SER A 47 88.651 -1.821 4.740 1.00 0.00 C ATOM 722 O SER A 47 88.698 -2.355 3.649 1.00 0.00 O ATOM 723 CB SER A 47 86.818 -2.782 6.126 1.00 0.00 C ATOM 724 OG SER A 47 86.876 -3.882 5.225 1.00 0.00 O ATOM 0 H SER A 47 86.127 -1.797 3.669 1.00 0.00 H new ATOM 0 HA SER A 47 87.448 -0.723 6.143 1.00 0.00 H new ATOM 0 HB2 SER A 47 87.430 -2.984 7.005 1.00 0.00 H new ATOM 0 HB3 SER A 47 85.796 -2.636 6.475 1.00 0.00 H new ATOM 0 HG SER A 47 87.594 -3.735 4.575 1.00 0.00 H new ATOM 730 N VAL A 48 89.738 -1.486 5.383 1.00 0.00 N ATOM 731 CA VAL A 48 91.072 -1.758 4.783 1.00 0.00 C ATOM 732 C VAL A 48 91.965 -2.455 5.805 1.00 0.00 C ATOM 733 O VAL A 48 91.783 -2.332 7.001 1.00 0.00 O ATOM 734 CB VAL A 48 91.735 -0.448 4.354 1.00 0.00 C ATOM 735 CG1 VAL A 48 91.546 0.609 5.440 1.00 0.00 C ATOM 736 CG2 VAL A 48 93.230 -0.688 4.134 1.00 0.00 C ATOM 0 H VAL A 48 89.757 -1.036 6.298 1.00 0.00 H new ATOM 0 HA VAL A 48 90.938 -2.398 3.911 1.00 0.00 H new ATOM 0 HB VAL A 48 91.277 -0.098 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 48 92.020 1.540 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 48 90.481 0.780 5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.001 0.263 6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.707 0.243 3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.682 -1.040 5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 48 93.367 -1.439 3.356 1.00 0.00 H new ATOM 746 N VAL A 49 92.931 -3.186 5.331 1.00 0.00 N ATOM 747 CA VAL A 49 93.857 -3.910 6.247 1.00 0.00 C ATOM 748 C VAL A 49 95.250 -3.286 6.186 1.00 0.00 C ATOM 749 O VAL A 49 95.791 -3.061 5.121 1.00 0.00 O ATOM 750 CB VAL A 49 93.952 -5.370 5.809 1.00 0.00 C ATOM 751 CG1 VAL A 49 95.050 -6.084 6.604 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.614 -6.067 6.046 1.00 0.00 C ATOM 0 H VAL A 49 93.122 -3.316 4.338 1.00 0.00 H new ATOM 0 HA VAL A 49 93.475 -3.843 7.266 1.00 0.00 H new ATOM 0 HB VAL A 49 94.197 -5.407 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.111 -7.125 6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 49 96.007 -5.593 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.814 -6.043 7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.686 -7.108 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.364 -6.024 7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 49 91.836 -5.567 5.469 1.00 0.00 H new ATOM 762 N VAL A 50 95.853 -3.029 7.313 1.00 0.00 N ATOM 763 CA VAL A 50 97.225 -2.454 7.295 1.00 0.00 C ATOM 764 C VAL A 50 98.163 -3.388 8.061 1.00 0.00 C ATOM 765 O VAL A 50 97.742 -4.164 8.898 1.00 0.00 O ATOM 766 CB VAL A 50 97.245 -1.052 7.918 1.00 0.00 C ATOM 767 CG1 VAL A 50 97.020 -1.146 9.423 1.00 0.00 C ATOM 768 CG2 VAL A 50 98.606 -0.401 7.657 1.00 0.00 C ATOM 0 H VAL A 50 95.458 -3.191 8.239 1.00 0.00 H new ATOM 0 HA VAL A 50 97.558 -2.360 6.261 1.00 0.00 H new ATOM 0 HB VAL A 50 96.452 -0.453 7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 50 97.036 -0.146 9.856 1.00 0.00 H new ATOM 0 HG12 VAL A 50 96.054 -1.611 9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 50 97.810 -1.749 9.872 1.00 0.00 H new ATOM 0 HG21 VAL A 50 98.623 0.595 8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 50 99.392 -1.010 8.104 1.00 0.00 H new ATOM 0 HG23 VAL A 50 98.773 -0.325 6.583 1.00 0.00 H new ATOM 778 N ASP A 51 99.428 -3.323 7.765 1.00 0.00 N ATOM 779 CA ASP A 51 100.421 -4.207 8.439 1.00 0.00 C ATOM 780 C ASP A 51 100.226 -4.155 9.945 1.00 0.00 C ATOM 781 O ASP A 51 100.695 -4.999 10.682 1.00 0.00 O ATOM 782 CB ASP A 51 101.829 -3.713 8.098 1.00 0.00 C ATOM 783 CG ASP A 51 102.866 -4.724 8.582 1.00 0.00 C ATOM 784 OD1 ASP A 51 102.494 -5.618 9.323 1.00 0.00 O ATOM 785 OD2 ASP A 51 104.017 -4.588 8.200 1.00 0.00 O ATOM 0 H ASP A 51 99.824 -2.686 7.074 1.00 0.00 H new ATOM 0 HA ASP A 51 100.286 -5.233 8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.923 -3.570 7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 51 102.007 -2.744 8.565 1.00 0.00 H new ATOM 790 N GLY A 52 99.558 -3.154 10.398 1.00 0.00 N ATOM 791 CA GLY A 52 99.338 -2.999 11.858 1.00 0.00 C ATOM 792 C GLY A 52 98.025 -3.653 12.303 1.00 0.00 C ATOM 793 O GLY A 52 98.007 -4.434 13.232 1.00 0.00 O ATOM 0 H GLY A 52 99.146 -2.422 9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 52 100.170 -3.446 12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 52 99.323 -1.940 12.114 1.00 0.00 H new ATOM 797 N GLU A 53 96.920 -3.329 11.680 1.00 0.00 N ATOM 798 CA GLU A 53 95.630 -3.941 12.136 1.00 0.00 C ATOM 799 C GLU A 53 94.538 -3.845 11.065 1.00 0.00 C ATOM 800 O GLU A 53 94.654 -3.133 10.091 1.00 0.00 O ATOM 801 CB GLU A 53 95.126 -3.192 13.372 1.00 0.00 C ATOM 802 CG GLU A 53 96.072 -3.411 14.557 1.00 0.00 C ATOM 803 CD GLU A 53 95.400 -2.900 15.835 1.00 0.00 C ATOM 804 OE1 GLU A 53 95.145 -1.709 15.908 1.00 0.00 O ATOM 805 OE2 GLU A 53 95.150 -3.707 16.715 1.00 0.00 O ATOM 0 H GLU A 53 96.852 -2.683 10.894 1.00 0.00 H new ATOM 0 HA GLU A 53 95.828 -4.991 12.350 1.00 0.00 H new ATOM 0 HB2 GLU A 53 95.049 -2.127 13.153 1.00 0.00 H new ATOM 0 HB3 GLU A 53 94.125 -3.537 13.630 1.00 0.00 H new ATOM 0 HG2 GLU A 53 96.312 -4.470 14.656 1.00 0.00 H new ATOM 0 HG3 GLU A 53 97.012 -2.885 14.390 1.00 0.00 H new ATOM 812 N VAL A 54 93.452 -4.536 11.285 1.00 0.00 N ATOM 813 CA VAL A 54 92.303 -4.476 10.340 1.00 0.00 C ATOM 814 C VAL A 54 91.441 -3.275 10.734 1.00 0.00 C ATOM 815 O VAL A 54 91.211 -3.038 11.903 1.00 0.00 O ATOM 816 CB VAL A 54 91.485 -5.761 10.468 1.00 0.00 C ATOM 817 CG1 VAL A 54 90.198 -5.639 9.652 1.00 0.00 C ATOM 818 CG2 VAL A 54 92.311 -6.941 9.951 1.00 0.00 C ATOM 0 H VAL A 54 93.312 -5.147 12.090 1.00 0.00 H new ATOM 0 HA VAL A 54 92.648 -4.375 9.311 1.00 0.00 H new ATOM 0 HB VAL A 54 91.230 -5.925 11.515 1.00 0.00 H new ATOM 0 HG11 VAL A 54 89.619 -6.557 9.747 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.610 -4.799 10.023 1.00 0.00 H new ATOM 0 HG13 VAL A 54 90.446 -5.473 8.604 1.00 0.00 H new ATOM 0 HG21 VAL A 54 91.730 -7.859 10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 54 92.567 -6.775 8.905 1.00 0.00 H new ATOM 0 HG23 VAL A 54 93.225 -7.031 10.539 1.00 0.00 H new ATOM 828 N LYS A 55 90.977 -2.494 9.793 1.00 0.00 N ATOM 829 CA LYS A 55 90.161 -1.303 10.186 1.00 0.00 C ATOM 830 C LYS A 55 88.870 -1.205 9.370 1.00 0.00 C ATOM 831 O LYS A 55 88.803 -1.602 8.224 1.00 0.00 O ATOM 832 CB LYS A 55 90.975 -0.034 9.939 1.00 0.00 C ATOM 833 CG LYS A 55 92.205 -0.025 10.840 1.00 0.00 C ATOM 834 CD LYS A 55 93.367 -0.662 10.083 1.00 0.00 C ATOM 835 CE LYS A 55 93.916 0.327 9.052 1.00 0.00 C ATOM 836 NZ LYS A 55 93.234 0.111 7.746 1.00 0.00 N ATOM 0 H LYS A 55 91.122 -2.623 8.792 1.00 0.00 H new ATOM 0 HA LYS A 55 89.903 -1.412 11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.279 0.016 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.362 0.846 10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.455 0.996 11.128 1.00 0.00 H new ATOM 0 HG3 LYS A 55 92.005 -0.576 11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 55 94.154 -0.949 10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.034 -1.573 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 55 93.757 1.350 9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 55 94.992 0.192 8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 93.923 0.214 6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 92.826 -0.845 7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 92.476 0.813 7.630 1.00 0.00 H new ATOM 850 N HIS A 56 87.854 -0.631 9.961 1.00 0.00 N ATOM 851 CA HIS A 56 86.563 -0.438 9.251 1.00 0.00 C ATOM 852 C HIS A 56 86.374 1.059 8.994 1.00 0.00 C ATOM 853 O HIS A 56 86.276 1.842 9.918 1.00 0.00 O ATOM 854 CB HIS A 56 85.410 -0.933 10.131 1.00 0.00 C ATOM 855 CG HIS A 56 85.324 -2.432 10.070 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.732 -3.248 11.113 1.00 0.00 N ATOM 857 CD2 HIS A 56 84.860 -3.273 9.096 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.502 -4.522 10.741 1.00 0.00 C ATOM 859 NE2 HIS A 56 84.972 -4.593 9.520 1.00 0.00 N ATOM 0 H HIS A 56 87.869 -0.284 10.920 1.00 0.00 H new ATOM 0 HA HIS A 56 86.570 -0.995 8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.564 -0.611 11.161 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.471 -0.493 9.796 1.00 0.00 H new ATOM 0 HD2 HIS A 56 84.466 -2.959 8.141 1.00 0.00 H new ATOM 0 HE1 HIS A 56 85.720 -5.382 11.357 1.00 0.00 H new ATOM 0 HE2 HIS A 56 84.706 -5.434 9.007 1.00 0.00 H new ATOM 867 N CYS A 57 86.313 1.472 7.756 1.00 0.00 N ATOM 868 CA CYS A 57 86.119 2.924 7.476 1.00 0.00 C ATOM 869 C CYS A 57 84.672 3.147 7.046 1.00 0.00 C ATOM 870 O CYS A 57 84.154 2.462 6.189 1.00 0.00 O ATOM 871 CB CYS A 57 87.068 3.382 6.367 1.00 0.00 C ATOM 872 SG CYS A 57 86.927 5.177 6.172 1.00 0.00 S ATOM 0 H CYS A 57 86.388 0.873 6.934 1.00 0.00 H new ATOM 0 HA CYS A 57 86.336 3.503 8.374 1.00 0.00 H new ATOM 0 HB2 CYS A 57 88.094 3.110 6.614 1.00 0.00 H new ATOM 0 HB3 CYS A 57 86.822 2.881 5.431 1.00 0.00 H new ATOM 0 HG CYS A 57 87.732 5.576 5.233 1.00 0.00 H new ATOM 878 N VAL A 58 84.006 4.083 7.657 1.00 0.00 N ATOM 879 CA VAL A 58 82.582 4.327 7.310 1.00 0.00 C ATOM 880 C VAL A 58 82.447 5.437 6.267 1.00 0.00 C ATOM 881 O VAL A 58 83.027 6.499 6.390 1.00 0.00 O ATOM 882 CB VAL A 58 81.839 4.729 8.576 1.00 0.00 C ATOM 883 CG1 VAL A 58 82.161 6.186 8.918 1.00 0.00 C ATOM 884 CG2 VAL A 58 80.333 4.574 8.353 1.00 0.00 C ATOM 0 H VAL A 58 84.387 4.690 8.383 1.00 0.00 H new ATOM 0 HA VAL A 58 82.160 3.415 6.887 1.00 0.00 H new ATOM 0 HB VAL A 58 82.151 4.088 9.400 1.00 0.00 H new ATOM 0 HG11 VAL A 58 81.629 6.473 9.825 1.00 0.00 H new ATOM 0 HG12 VAL A 58 83.234 6.294 9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 58 81.850 6.830 8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 58 79.800 4.862 9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.019 5.214 7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 58 80.106 3.535 8.112 1.00 0.00 H new ATOM 894 N ILE A 59 81.661 5.200 5.249 1.00 0.00 N ATOM 895 CA ILE A 59 81.450 6.232 4.198 1.00 0.00 C ATOM 896 C ILE A 59 79.966 6.612 4.180 1.00 0.00 C ATOM 897 O ILE A 59 79.097 5.771 4.339 1.00 0.00 O ATOM 898 CB ILE A 59 81.854 5.678 2.828 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.355 5.376 2.826 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.547 6.720 1.749 1.00 0.00 C ATOM 901 CD1 ILE A 59 83.730 4.638 1.537 1.00 0.00 C ATOM 0 H ILE A 59 81.153 4.328 5.102 1.00 0.00 H new ATOM 0 HA ILE A 59 82.061 7.108 4.415 1.00 0.00 H new ATOM 0 HB ILE A 59 81.296 4.764 2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.923 6.303 2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.615 4.769 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.834 6.328 0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.480 6.943 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.109 7.632 1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 59 84.799 4.424 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 59 83.173 3.703 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.485 5.261 0.677 1.00 0.00 H new ATOM 913 N ASN A 60 79.660 7.868 3.998 1.00 0.00 N ATOM 914 CA ASN A 60 78.226 8.286 3.982 1.00 0.00 C ATOM 915 C ASN A 60 77.848 8.745 2.574 1.00 0.00 C ATOM 916 O ASN A 60 78.660 9.274 1.849 1.00 0.00 O ATOM 917 CB ASN A 60 78.023 9.446 4.959 1.00 0.00 C ATOM 918 CG ASN A 60 78.203 8.953 6.396 1.00 0.00 C ATOM 919 OD1 ASN A 60 78.169 7.766 6.655 1.00 0.00 O ATOM 920 ND2 ASN A 60 78.394 9.822 7.349 1.00 0.00 N ATOM 0 H ASN A 60 80.335 8.620 3.860 1.00 0.00 H new ATOM 0 HA ASN A 60 77.599 7.444 4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 60 78.737 10.242 4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.027 9.869 4.833 1.00 0.00 H new ATOM 0 HD21 ASN A 60 78.515 9.506 8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 60 78.423 10.818 7.132 1.00 0.00 H new ATOM 1167 N SER A 77 82.389 11.304 -8.342 1.00 0.00 N ATOM 1168 CA SER A 77 81.723 9.970 -8.357 1.00 0.00 C ATOM 1169 C SER A 77 82.354 9.054 -7.306 1.00 0.00 C ATOM 1170 O SER A 77 83.484 9.240 -6.901 1.00 0.00 O ATOM 1171 CB SER A 77 81.886 9.341 -9.741 1.00 0.00 C ATOM 1172 OG SER A 77 81.220 8.086 -9.768 1.00 0.00 O ATOM 0 HA SER A 77 80.665 10.096 -8.129 1.00 0.00 H new ATOM 0 HB2 SER A 77 81.473 10.001 -10.504 1.00 0.00 H new ATOM 0 HB3 SER A 77 82.943 9.210 -9.971 1.00 0.00 H new ATOM 0 HG SER A 77 81.321 7.681 -10.655 1.00 0.00 H new ATOM 1178 N LEU A 78 81.626 8.061 -6.869 1.00 0.00 N ATOM 1179 CA LEU A 78 82.171 7.117 -5.849 1.00 0.00 C ATOM 1180 C LEU A 78 83.407 6.419 -6.411 1.00 0.00 C ATOM 1181 O LEU A 78 84.362 6.163 -5.707 1.00 0.00 O ATOM 1182 CB LEU A 78 81.125 6.055 -5.523 1.00 0.00 C ATOM 1183 CG LEU A 78 79.959 6.683 -4.766 1.00 0.00 C ATOM 1184 CD1 LEU A 78 78.847 5.643 -4.617 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.429 7.129 -3.380 1.00 0.00 C ATOM 0 H LEU A 78 80.674 7.862 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 78 82.430 7.676 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.765 5.593 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.574 5.263 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 78 79.586 7.548 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.008 6.082 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.515 5.322 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.225 4.783 -4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.595 7.578 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 78 80.798 6.266 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.229 7.862 -3.485 1.00 0.00 H new ATOM 1197 N LYS A 79 83.389 6.101 -7.680 1.00 0.00 N ATOM 1198 CA LYS A 79 84.561 5.413 -8.291 1.00 0.00 C ATOM 1199 C LYS A 79 85.807 6.263 -8.071 1.00 0.00 C ATOM 1200 O LYS A 79 86.860 5.764 -7.732 1.00 0.00 O ATOM 1201 CB LYS A 79 84.328 5.235 -9.796 1.00 0.00 C ATOM 1202 CG LYS A 79 83.269 4.160 -10.035 1.00 0.00 C ATOM 1203 CD LYS A 79 83.045 3.997 -11.542 1.00 0.00 C ATOM 1204 CE LYS A 79 81.900 3.013 -11.787 1.00 0.00 C ATOM 1205 NZ LYS A 79 80.636 3.587 -11.245 1.00 0.00 N ATOM 0 H LYS A 79 82.614 6.288 -8.317 1.00 0.00 H new ATOM 0 HA LYS A 79 84.692 4.435 -7.828 1.00 0.00 H new ATOM 0 HB2 LYS A 79 84.007 6.179 -10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.260 4.955 -10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.590 3.214 -9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.336 4.437 -9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 79 82.811 4.962 -11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 79 83.956 3.636 -12.018 1.00 0.00 H new ATOM 0 HE2 LYS A 79 81.796 2.816 -12.854 1.00 0.00 H new ATOM 0 HE3 LYS A 79 82.116 2.059 -11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 79.823 3.150 -11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 80.579 3.398 -10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 80.623 4.614 -11.408 1.00 0.00 H new ATOM 1219 N GLU A 80 85.696 7.550 -8.253 1.00 0.00 N ATOM 1220 CA GLU A 80 86.878 8.429 -8.046 1.00 0.00 C ATOM 1221 C GLU A 80 87.288 8.380 -6.573 1.00 0.00 C ATOM 1222 O GLU A 80 88.453 8.471 -6.238 1.00 0.00 O ATOM 1223 CB GLU A 80 86.522 9.867 -8.433 1.00 0.00 C ATOM 1224 CG GLU A 80 87.768 10.748 -8.320 1.00 0.00 C ATOM 1225 CD GLU A 80 87.431 12.173 -8.761 1.00 0.00 C ATOM 1226 OE1 GLU A 80 86.337 12.373 -9.262 1.00 0.00 O ATOM 1227 OE2 GLU A 80 88.272 13.040 -8.591 1.00 0.00 O ATOM 0 H GLU A 80 84.841 8.028 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 80 87.705 8.085 -8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 80 86.134 9.896 -9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 80 85.735 10.246 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 80 88.131 10.751 -7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 80 88.568 10.344 -8.940 1.00 0.00 H new ATOM 1234 N LEU A 81 86.337 8.239 -5.691 1.00 0.00 N ATOM 1235 CA LEU A 81 86.670 8.193 -4.241 1.00 0.00 C ATOM 1236 C LEU A 81 87.608 7.017 -3.969 1.00 0.00 C ATOM 1237 O LEU A 81 88.626 7.162 -3.321 1.00 0.00 O ATOM 1238 CB LEU A 81 85.379 8.023 -3.431 1.00 0.00 C ATOM 1239 CG LEU A 81 85.703 8.067 -1.937 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.519 8.667 -1.176 1.00 0.00 C ATOM 1241 CD2 LEU A 81 85.968 6.646 -1.423 1.00 0.00 C ATOM 0 H LEU A 81 85.345 8.154 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 81 87.163 9.120 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.672 8.813 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.902 7.076 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 81 86.590 8.681 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.749 8.699 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.330 9.678 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.633 8.052 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.199 6.681 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.083 6.030 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 81 86.811 6.215 -1.963 1.00 0.00 H new ATOM 1253 N VAL A 82 87.285 5.857 -4.469 1.00 0.00 N ATOM 1254 CA VAL A 82 88.166 4.678 -4.244 1.00 0.00 C ATOM 1255 C VAL A 82 89.490 4.888 -4.992 1.00 0.00 C ATOM 1256 O VAL A 82 90.548 4.518 -4.521 1.00 0.00 O ATOM 1257 CB VAL A 82 87.469 3.416 -4.764 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.406 2.214 -4.630 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.198 3.162 -3.948 1.00 0.00 C ATOM 0 H VAL A 82 86.449 5.675 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 82 88.367 4.563 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 82 87.209 3.556 -5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.906 1.320 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.311 2.391 -5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.670 2.074 -3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.702 2.265 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.460 3.026 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.526 4.015 -4.046 1.00 0.00 H new ATOM 1269 N LEU A 83 89.435 5.479 -6.158 1.00 0.00 N ATOM 1270 CA LEU A 83 90.683 5.714 -6.948 1.00 0.00 C ATOM 1271 C LEU A 83 91.585 6.718 -6.231 1.00 0.00 C ATOM 1272 O LEU A 83 92.771 6.513 -6.097 1.00 0.00 O ATOM 1273 CB LEU A 83 90.320 6.289 -8.319 1.00 0.00 C ATOM 1274 CG LEU A 83 91.597 6.525 -9.132 1.00 0.00 C ATOM 1275 CD1 LEU A 83 92.245 5.182 -9.470 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.251 7.259 -10.429 1.00 0.00 C ATOM 0 H LEU A 83 88.577 5.810 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 83 91.206 4.764 -7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.661 5.602 -8.850 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.775 7.225 -8.199 1.00 0.00 H new ATOM 0 HG LEU A 83 92.290 7.128 -8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 83 93.153 5.352 -10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.495 4.656 -8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 83 91.550 4.579 -10.055 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.160 7.426 -11.006 1.00 0.00 H new ATOM 0 HD22 LEU A 83 90.556 6.657 -11.014 1.00 0.00 H new ATOM 0 HD23 LEU A 83 90.790 8.218 -10.192 1.00 0.00 H new ATOM 1288 N HIS A 84 91.041 7.813 -5.790 1.00 0.00 N ATOM 1289 CA HIS A 84 91.883 8.833 -5.105 1.00 0.00 C ATOM 1290 C HIS A 84 92.477 8.255 -3.820 1.00 0.00 C ATOM 1291 O HIS A 84 93.616 8.509 -3.479 1.00 0.00 O ATOM 1292 CB HIS A 84 91.017 10.043 -4.758 1.00 0.00 C ATOM 1293 CG HIS A 84 91.901 11.161 -4.275 1.00 0.00 C ATOM 1294 ND1 HIS A 84 92.192 11.347 -2.933 1.00 0.00 N ATOM 1295 CD2 HIS A 84 92.572 12.152 -4.946 1.00 0.00 C ATOM 1296 CE1 HIS A 84 93.007 12.414 -2.839 1.00 0.00 C ATOM 1297 NE2 HIS A 84 93.270 12.943 -4.037 1.00 0.00 N ATOM 0 H HIS A 84 90.052 8.048 -5.873 1.00 0.00 H new ATOM 0 HA HIS A 84 92.695 9.129 -5.769 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.451 10.363 -5.633 1.00 0.00 H new ATOM 0 HB3 HIS A 84 90.292 9.778 -3.988 1.00 0.00 H new ATOM 0 HD2 HIS A 84 92.561 12.297 -6.016 1.00 0.00 H new ATOM 0 HE1 HIS A 84 93.400 12.796 -1.908 1.00 0.00 H new ATOM 0 HE2 HIS A 84 93.856 13.752 -4.242 1.00 0.00 H new ATOM 1305 N TYR A 85 91.703 7.501 -3.095 1.00 0.00 N ATOM 1306 CA TYR A 85 92.192 6.923 -1.809 1.00 0.00 C ATOM 1307 C TYR A 85 93.381 5.983 -2.032 1.00 0.00 C ATOM 1308 O TYR A 85 94.224 5.831 -1.169 1.00 0.00 O ATOM 1309 CB TYR A 85 91.056 6.151 -1.142 1.00 0.00 C ATOM 1310 CG TYR A 85 90.118 7.109 -0.446 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.643 8.251 -1.109 1.00 0.00 C ATOM 1312 CD2 TYR A 85 89.717 6.848 0.869 1.00 0.00 C ATOM 1313 CE1 TYR A 85 88.770 9.125 -0.453 1.00 0.00 C ATOM 1314 CE2 TYR A 85 88.843 7.722 1.523 1.00 0.00 C ATOM 1315 CZ TYR A 85 88.370 8.861 0.862 1.00 0.00 C ATOM 1316 OH TYR A 85 87.505 9.723 1.504 1.00 0.00 O ATOM 0 H TYR A 85 90.743 7.256 -3.338 1.00 0.00 H new ATOM 0 HA TYR A 85 92.523 7.742 -1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.511 5.573 -1.888 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.462 5.440 -0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 85 89.951 8.455 -2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 85 90.083 5.970 1.380 1.00 0.00 H new ATOM 0 HE1 TYR A 85 88.404 10.005 -0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 85 88.533 7.518 2.537 1.00 0.00 H new ATOM 0 HH TYR A 85 87.328 9.394 2.410 1.00 0.00 H new ATOM 1326 N GLN A 86 93.469 5.336 -3.156 1.00 0.00 N ATOM 1327 CA GLN A 86 94.622 4.418 -3.364 1.00 0.00 C ATOM 1328 C GLN A 86 95.899 5.258 -3.437 1.00 0.00 C ATOM 1329 O GLN A 86 96.974 4.811 -3.088 1.00 0.00 O ATOM 1330 CB GLN A 86 94.446 3.639 -4.666 1.00 0.00 C ATOM 1331 CG GLN A 86 94.948 4.473 -5.841 1.00 0.00 C ATOM 1332 CD GLN A 86 94.373 3.906 -7.134 1.00 0.00 C ATOM 1333 OE1 GLN A 86 93.261 3.415 -7.152 1.00 0.00 O ATOM 1334 NE2 GLN A 86 95.084 3.947 -8.226 1.00 0.00 N ATOM 0 H GLN A 86 92.806 5.399 -3.929 1.00 0.00 H new ATOM 0 HA GLN A 86 94.682 3.707 -2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 86 94.995 2.699 -4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 86 93.395 3.387 -4.810 1.00 0.00 H new ATOM 0 HG2 GLN A 86 94.647 5.514 -5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 86 96.037 4.458 -5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 86 96.017 4.359 -8.212 1.00 0.00 H new ATOM 0 HE22 GLN A 86 94.707 3.567 -9.094 1.00 0.00 H new ATOM 1343 N HIS A 87 95.784 6.478 -3.892 1.00 0.00 N ATOM 1344 CA HIS A 87 96.982 7.357 -3.986 1.00 0.00 C ATOM 1345 C HIS A 87 97.314 7.932 -2.606 1.00 0.00 C ATOM 1346 O HIS A 87 98.465 8.054 -2.239 1.00 0.00 O ATOM 1347 CB HIS A 87 96.708 8.507 -4.953 1.00 0.00 C ATOM 1348 CG HIS A 87 97.995 9.245 -5.215 1.00 0.00 C ATOM 1349 ND1 HIS A 87 98.506 10.178 -4.325 1.00 0.00 N ATOM 1350 CD2 HIS A 87 98.889 9.194 -6.256 1.00 0.00 C ATOM 1351 CE1 HIS A 87 99.658 10.643 -4.844 1.00 0.00 C ATOM 1352 NE2 HIS A 87 99.938 10.077 -6.018 1.00 0.00 N ATOM 0 H HIS A 87 94.910 6.902 -4.203 1.00 0.00 H new ATOM 0 HA HIS A 87 97.823 6.767 -4.349 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.297 8.124 -5.887 1.00 0.00 H new ATOM 0 HB3 HIS A 87 95.965 9.184 -4.532 1.00 0.00 H new ATOM 0 HD2 HIS A 87 98.793 8.564 -7.128 1.00 0.00 H new ATOM 0 HE1 HIS A 87 100.280 11.385 -4.367 1.00 0.00 H new ATOM 0 HE2 HIS A 87 100.747 10.253 -6.614 1.00 0.00 H new ATOM 1360 N THR A 88 96.318 8.303 -1.842 1.00 0.00 N ATOM 1361 CA THR A 88 96.597 8.886 -0.500 1.00 0.00 C ATOM 1362 C THR A 88 96.905 7.774 0.498 1.00 0.00 C ATOM 1363 O THR A 88 96.477 6.647 0.348 1.00 0.00 O ATOM 1364 CB THR A 88 95.382 9.686 -0.016 1.00 0.00 C ATOM 1365 OG1 THR A 88 95.785 10.557 1.032 1.00 0.00 O ATOM 1366 CG2 THR A 88 94.303 8.734 0.507 1.00 0.00 C ATOM 0 H THR A 88 95.331 8.227 -2.089 1.00 0.00 H new ATOM 0 HA THR A 88 97.459 9.549 -0.576 1.00 0.00 H new ATOM 0 HB THR A 88 94.978 10.264 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 88 95.012 11.072 1.344 1.00 0.00 H new ATOM 0 HG21 THR A 88 93.444 9.311 0.849 1.00 0.00 H new ATOM 0 HG22 THR A 88 93.993 8.061 -0.292 1.00 0.00 H new ATOM 0 HG23 THR A 88 94.703 8.152 1.337 1.00 0.00 H new ATOM 1374 N SER A 89 97.648 8.093 1.522 1.00 0.00 N ATOM 1375 CA SER A 89 97.990 7.072 2.543 1.00 0.00 C ATOM 1376 C SER A 89 97.149 7.321 3.792 1.00 0.00 C ATOM 1377 O SER A 89 97.016 8.435 4.259 1.00 0.00 O ATOM 1378 CB SER A 89 99.477 7.165 2.883 1.00 0.00 C ATOM 1379 OG SER A 89 99.797 6.183 3.862 1.00 0.00 O ATOM 0 H SER A 89 98.033 9.022 1.693 1.00 0.00 H new ATOM 0 HA SER A 89 97.781 6.074 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 89 100.077 7.011 1.986 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.715 8.160 3.258 1.00 0.00 H new ATOM 0 HG SER A 89 100.751 6.238 4.081 1.00 0.00 H new ATOM 1385 N LEU A 90 96.566 6.290 4.321 1.00 0.00 N ATOM 1386 CA LEU A 90 95.708 6.444 5.526 1.00 0.00 C ATOM 1387 C LEU A 90 96.567 6.768 6.753 1.00 0.00 C ATOM 1388 O LEU A 90 96.058 7.129 7.797 1.00 0.00 O ATOM 1389 CB LEU A 90 94.937 5.142 5.751 1.00 0.00 C ATOM 1390 CG LEU A 90 93.920 4.957 4.621 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.010 6.180 4.538 1.00 0.00 C ATOM 1392 CD2 LEU A 90 94.658 4.786 3.292 1.00 0.00 C ATOM 0 H LEU A 90 96.646 5.336 3.969 1.00 0.00 H new ATOM 0 HA LEU A 90 95.008 7.265 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 90 95.626 4.298 5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 90 94.427 5.169 6.714 1.00 0.00 H new ATOM 0 HG LEU A 90 93.318 4.071 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.289 6.043 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 90 92.480 6.304 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 90 93.611 7.068 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 90 93.934 4.654 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 90 95.262 5.672 3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 90 95.305 3.910 3.345 1.00 0.00 H new ATOM 1404 N VAL A 91 97.860 6.647 6.640 1.00 0.00 N ATOM 1405 CA VAL A 91 98.739 6.952 7.807 1.00 0.00 C ATOM 1406 C VAL A 91 98.219 8.183 8.537 1.00 0.00 C ATOM 1407 O VAL A 91 98.177 8.211 9.749 1.00 0.00 O ATOM 1408 CB VAL A 91 100.157 7.249 7.323 1.00 0.00 C ATOM 1409 CG1 VAL A 91 100.170 8.559 6.533 1.00 0.00 C ATOM 1410 CG2 VAL A 91 101.077 7.375 8.538 1.00 0.00 C ATOM 0 H VAL A 91 98.347 6.351 5.794 1.00 0.00 H new ATOM 0 HA VAL A 91 98.741 6.091 8.475 1.00 0.00 H new ATOM 0 HB VAL A 91 100.502 6.441 6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 91 101.183 8.767 6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 91 99.506 8.472 5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 91 99.830 9.373 7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 91 102.093 7.587 8.205 1.00 0.00 H new ATOM 0 HG22 VAL A 91 100.728 8.186 9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 91 101.067 6.441 9.100 1.00 0.00 H new ATOM 1420 N GLN A 92 97.836 9.200 7.808 1.00 0.00 N ATOM 1421 CA GLN A 92 97.344 10.453 8.454 1.00 0.00 C ATOM 1422 C GLN A 92 96.498 10.132 9.683 1.00 0.00 C ATOM 1423 O GLN A 92 96.544 10.838 10.670 1.00 0.00 O ATOM 1424 CB GLN A 92 96.489 11.241 7.462 1.00 0.00 C ATOM 1425 CG GLN A 92 96.078 12.569 8.095 1.00 0.00 C ATOM 1426 CD GLN A 92 95.245 13.371 7.096 1.00 0.00 C ATOM 1427 OE1 GLN A 92 95.239 14.585 7.130 1.00 0.00 O ATOM 1428 NE2 GLN A 92 94.534 12.739 6.202 1.00 0.00 N ATOM 0 H GLN A 92 97.843 9.216 6.788 1.00 0.00 H new ATOM 0 HA GLN A 92 98.209 11.042 8.759 1.00 0.00 H new ATOM 0 HB2 GLN A 92 97.048 11.420 6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 92 95.604 10.666 7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 92 95.503 12.389 9.003 1.00 0.00 H new ATOM 0 HG3 GLN A 92 96.963 13.136 8.385 1.00 0.00 H new ATOM 0 HE21 GLN A 92 94.539 11.719 6.174 1.00 0.00 H new ATOM 0 HE22 GLN A 92 93.973 13.265 5.532 1.00 0.00 H new ATOM 1437 N HIS A 93 95.727 9.086 9.644 1.00 0.00 N ATOM 1438 CA HIS A 93 94.896 8.759 10.832 1.00 0.00 C ATOM 1439 C HIS A 93 95.817 8.405 12.000 1.00 0.00 C ATOM 1440 O HIS A 93 96.658 7.537 11.900 1.00 0.00 O ATOM 1441 CB HIS A 93 93.985 7.575 10.510 1.00 0.00 C ATOM 1442 CG HIS A 93 93.041 7.349 11.657 1.00 0.00 C ATOM 1443 ND1 HIS A 93 92.263 6.207 11.758 1.00 0.00 N ATOM 1444 CD2 HIS A 93 92.739 8.108 12.763 1.00 0.00 C ATOM 1445 CE1 HIS A 93 91.538 6.309 12.886 1.00 0.00 C ATOM 1446 NE2 HIS A 93 91.789 7.449 13.536 1.00 0.00 N ATOM 0 H HIS A 93 95.636 8.450 8.852 1.00 0.00 H new ATOM 0 HA HIS A 93 94.279 9.617 11.101 1.00 0.00 H new ATOM 0 HB2 HIS A 93 93.425 7.771 9.596 1.00 0.00 H new ATOM 0 HB3 HIS A 93 94.581 6.680 10.333 1.00 0.00 H new ATOM 0 HD1 HIS A 93 92.244 5.430 11.097 1.00 0.00 H new ATOM 0 HD2 HIS A 93 93.173 9.069 12.996 1.00 0.00 H new ATOM 0 HE1 HIS A 93 90.838 5.560 13.225 1.00 0.00 H new ATOM 1454 N ASN A 94 95.674 9.076 13.105 1.00 0.00 N ATOM 1455 CA ASN A 94 96.551 8.780 14.272 1.00 0.00 C ATOM 1456 C ASN A 94 97.997 8.628 13.792 1.00 0.00 C ATOM 1457 O ASN A 94 98.868 8.223 14.536 1.00 0.00 O ATOM 1458 CB ASN A 94 96.100 7.483 14.939 1.00 0.00 C ATOM 1459 CG ASN A 94 94.682 7.656 15.485 1.00 0.00 C ATOM 1460 OD1 ASN A 94 94.420 8.543 16.274 1.00 0.00 O ATOM 1461 ND2 ASN A 94 93.746 6.839 15.091 1.00 0.00 N ATOM 0 H ASN A 94 94.989 9.817 13.253 1.00 0.00 H new ATOM 0 HA ASN A 94 96.485 9.597 14.991 1.00 0.00 H new ATOM 0 HB2 ASN A 94 96.127 6.664 14.221 1.00 0.00 H new ATOM 0 HB3 ASN A 94 96.783 7.221 15.747 1.00 0.00 H new ATOM 0 HD21 ASN A 94 92.795 6.944 15.445 1.00 0.00 H new ATOM 0 HD22 ASN A 94 93.964 6.094 14.429 1.00 0.00 H new ATOM 1468 N ASP A 95 98.260 8.960 12.558 1.00 0.00 N ATOM 1469 CA ASP A 95 99.649 8.850 12.034 1.00 0.00 C ATOM 1470 C ASP A 95 100.173 7.414 12.171 1.00 0.00 C ATOM 1471 O ASP A 95 101.302 7.204 12.565 1.00 0.00 O ATOM 1472 CB ASP A 95 100.548 9.799 12.828 1.00 0.00 C ATOM 1473 CG ASP A 95 100.101 11.239 12.575 1.00 0.00 C ATOM 1474 OD1 ASP A 95 99.584 11.496 11.499 1.00 0.00 O ATOM 1475 OD2 ASP A 95 100.272 12.058 13.463 1.00 0.00 O ATOM 0 H ASP A 95 97.571 9.303 11.889 1.00 0.00 H new ATOM 0 HA ASP A 95 99.653 9.116 10.977 1.00 0.00 H new ATOM 0 HB2 ASP A 95 100.491 9.569 13.892 1.00 0.00 H new ATOM 0 HB3 ASP A 95 101.588 9.670 12.529 1.00 0.00 H new ATOM 1480 N SER A 96 99.383 6.417 11.847 1.00 0.00 N ATOM 1481 CA SER A 96 99.900 5.020 11.970 1.00 0.00 C ATOM 1482 C SER A 96 99.222 4.084 10.970 1.00 0.00 C ATOM 1483 O SER A 96 99.467 2.895 10.973 1.00 0.00 O ATOM 1484 CB SER A 96 99.657 4.502 13.386 1.00 0.00 C ATOM 1485 OG SER A 96 100.260 5.387 14.319 1.00 0.00 O ATOM 0 H SER A 96 98.424 6.507 11.510 1.00 0.00 H new ATOM 0 HA SER A 96 100.968 5.039 11.755 1.00 0.00 H new ATOM 0 HB2 SER A 96 98.587 4.425 13.579 1.00 0.00 H new ATOM 0 HB3 SER A 96 100.073 3.501 13.496 1.00 0.00 H new ATOM 0 HG SER A 96 100.105 5.058 15.229 1.00 0.00 H new ATOM 1491 N LEU A 97 98.389 4.587 10.105 1.00 0.00 N ATOM 1492 CA LEU A 97 97.739 3.682 9.116 1.00 0.00 C ATOM 1493 C LEU A 97 98.484 3.825 7.795 1.00 0.00 C ATOM 1494 O LEU A 97 97.993 4.400 6.842 1.00 0.00 O ATOM 1495 CB LEU A 97 96.272 4.068 8.948 1.00 0.00 C ATOM 1496 CG LEU A 97 95.578 3.954 10.301 1.00 0.00 C ATOM 1497 CD1 LEU A 97 95.801 2.558 10.880 1.00 0.00 C ATOM 1498 CD2 LEU A 97 96.169 4.995 11.248 1.00 0.00 C ATOM 0 H LEU A 97 98.132 5.572 10.038 1.00 0.00 H new ATOM 0 HA LEU A 97 97.778 2.647 9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.190 5.086 8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.790 3.415 8.220 1.00 0.00 H new ATOM 0 HG LEU A 97 94.508 4.124 10.180 1.00 0.00 H new ATOM 0 HD11 LEU A 97 95.303 2.481 11.847 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.390 1.812 10.200 1.00 0.00 H new ATOM 0 HD13 LEU A 97 96.869 2.383 11.007 1.00 0.00 H new ATOM 0 HD21 LEU A 97 95.680 4.923 12.219 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.238 4.815 11.366 1.00 0.00 H new ATOM 0 HD23 LEU A 97 96.012 5.992 10.836 1.00 0.00 H new ATOM 1510 N ASN A 98 99.685 3.326 7.747 1.00 0.00 N ATOM 1511 CA ASN A 98 100.500 3.450 6.514 1.00 0.00 C ATOM 1512 C ASN A 98 100.066 2.399 5.503 1.00 0.00 C ATOM 1513 O ASN A 98 100.502 1.266 5.524 1.00 0.00 O ATOM 1514 CB ASN A 98 101.970 3.277 6.888 1.00 0.00 C ATOM 1515 CG ASN A 98 102.858 3.613 5.691 1.00 0.00 C ATOM 1516 OD1 ASN A 98 102.729 4.665 5.099 1.00 0.00 O ATOM 1517 ND2 ASN A 98 103.765 2.758 5.311 1.00 0.00 N ATOM 0 H ASN A 98 100.139 2.834 8.516 1.00 0.00 H new ATOM 0 HA ASN A 98 100.358 4.430 6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 98 102.218 3.925 7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 98 102.153 2.252 7.211 1.00 0.00 H new ATOM 0 HD21 ASN A 98 104.367 2.973 4.516 1.00 0.00 H new ATOM 0 HD22 ASN A 98 103.873 1.874 5.809 1.00 0.00 H new ATOM 1524 N VAL A 99 99.186 2.787 4.622 1.00 0.00 N ATOM 1525 CA VAL A 99 98.672 1.855 3.593 1.00 0.00 C ATOM 1526 C VAL A 99 97.783 2.655 2.640 1.00 0.00 C ATOM 1527 O VAL A 99 97.628 3.849 2.793 1.00 0.00 O ATOM 1528 CB VAL A 99 97.840 0.778 4.287 1.00 0.00 C ATOM 1529 CG1 VAL A 99 96.701 1.456 5.051 1.00 0.00 C ATOM 1530 CG2 VAL A 99 97.260 -0.177 3.243 1.00 0.00 C ATOM 0 H VAL A 99 98.798 3.729 4.575 1.00 0.00 H new ATOM 0 HA VAL A 99 99.487 1.386 3.042 1.00 0.00 H new ATOM 0 HB VAL A 99 98.466 0.212 4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 99 96.098 0.699 5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 99 97.116 2.139 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 99 96.077 2.014 4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 99 96.667 -0.944 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 99 96.627 0.380 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 99 98.072 -0.649 2.690 1.00 0.00 H new ATOM 1540 N THR A 100 97.187 2.021 1.676 1.00 0.00 N ATOM 1541 CA THR A 100 96.293 2.767 0.745 1.00 0.00 C ATOM 1542 C THR A 100 95.365 1.793 0.045 1.00 0.00 C ATOM 1543 O THR A 100 95.555 0.593 0.077 1.00 0.00 O ATOM 1544 CB THR A 100 97.104 3.542 -0.291 1.00 0.00 C ATOM 1545 OG1 THR A 100 96.221 4.298 -1.102 1.00 0.00 O ATOM 1546 CG2 THR A 100 97.907 2.578 -1.163 1.00 0.00 C ATOM 0 H THR A 100 97.277 1.022 1.489 1.00 0.00 H new ATOM 0 HA THR A 100 95.709 3.482 1.325 1.00 0.00 H new ATOM 0 HB THR A 100 97.797 4.209 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 100 95.801 5.000 -0.562 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.481 3.143 -1.897 1.00 0.00 H new ATOM 0 HG22 THR A 100 98.588 2.002 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A 100 97.226 1.900 -1.678 1.00 0.00 H new ATOM 1554 N LEU A 101 94.362 2.309 -0.588 1.00 0.00 N ATOM 1555 CA LEU A 101 93.409 1.428 -1.298 1.00 0.00 C ATOM 1556 C LEU A 101 94.031 1.036 -2.637 1.00 0.00 C ATOM 1557 O LEU A 101 93.546 1.385 -3.692 1.00 0.00 O ATOM 1558 CB LEU A 101 92.118 2.211 -1.505 1.00 0.00 C ATOM 1559 CG LEU A 101 91.623 2.712 -0.144 1.00 0.00 C ATOM 1560 CD1 LEU A 101 90.184 3.207 -0.266 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.679 1.576 0.880 1.00 0.00 C ATOM 0 H LEU A 101 94.159 3.307 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 101 93.192 0.522 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 101 92.290 3.052 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.363 1.578 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 101 92.264 3.530 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.838 3.562 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 101 90.140 4.023 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.546 2.390 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 101 91.326 1.939 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 101 91.045 0.754 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.706 1.225 0.978 1.00 0.00 H new ATOM 1573 N ALA A 102 95.129 0.328 -2.581 1.00 0.00 N ATOM 1574 CA ALA A 102 95.840 -0.077 -3.825 1.00 0.00 C ATOM 1575 C ALA A 102 95.355 -1.434 -4.351 1.00 0.00 C ATOM 1576 O ALA A 102 95.467 -1.712 -5.529 1.00 0.00 O ATOM 1577 CB ALA A 102 97.336 -0.173 -3.524 1.00 0.00 C ATOM 0 H ALA A 102 95.566 0.011 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 102 95.635 0.672 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.870 -0.469 -4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 102 97.702 0.797 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.503 -0.915 -2.743 1.00 0.00 H new ATOM 1583 N TYR A 103 94.849 -2.303 -3.513 1.00 0.00 N ATOM 1584 CA TYR A 103 94.414 -3.634 -4.035 1.00 0.00 C ATOM 1585 C TYR A 103 92.934 -3.898 -3.734 1.00 0.00 C ATOM 1586 O TYR A 103 92.475 -3.705 -2.628 1.00 0.00 O ATOM 1587 CB TYR A 103 95.261 -4.730 -3.384 1.00 0.00 C ATOM 1588 CG TYR A 103 96.698 -4.561 -3.805 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.150 -5.158 -4.986 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.577 -3.805 -3.018 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.482 -4.999 -5.384 1.00 0.00 C ATOM 1592 CE2 TYR A 103 98.910 -3.646 -3.415 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.361 -4.242 -4.599 1.00 0.00 C ATOM 1594 OH TYR A 103 100.675 -4.088 -4.991 1.00 0.00 O ATOM 0 H TYR A 103 94.720 -2.155 -2.512 1.00 0.00 H new ATOM 0 HA TYR A 103 94.549 -3.637 -5.117 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.178 -4.674 -2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 103 94.896 -5.713 -3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.471 -5.741 -5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.226 -3.345 -2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 103 98.832 -5.460 -6.296 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.589 -3.065 -2.809 1.00 0.00 H new ATOM 0 HH TYR A 103 101.149 -3.534 -4.336 1.00 0.00 H new ATOM 1604 N PRO A 104 92.198 -4.371 -4.713 1.00 0.00 N ATOM 1605 CA PRO A 104 90.756 -4.704 -4.547 1.00 0.00 C ATOM 1606 C PRO A 104 90.572 -5.987 -3.736 1.00 0.00 C ATOM 1607 O PRO A 104 91.390 -6.884 -3.785 1.00 0.00 O ATOM 1608 CB PRO A 104 90.263 -4.920 -5.976 1.00 0.00 C ATOM 1609 CG PRO A 104 91.469 -5.331 -6.748 1.00 0.00 C ATOM 1610 CD PRO A 104 92.659 -4.644 -6.087 1.00 0.00 C ATOM 0 HA PRO A 104 90.214 -3.923 -4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.491 -5.688 -6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.826 -4.008 -6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.589 -6.414 -6.733 1.00 0.00 H new ATOM 0 HG3 PRO A 104 91.381 -5.034 -7.793 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.542 -5.283 -6.092 1.00 0.00 H new ATOM 0 HD3 PRO A 104 92.928 -3.725 -6.607 1.00 0.00 H new ATOM 1618 N VAL A 105 89.508 -6.087 -3.005 1.00 0.00 N ATOM 1619 CA VAL A 105 89.272 -7.320 -2.211 1.00 0.00 C ATOM 1620 C VAL A 105 88.888 -8.455 -3.166 1.00 0.00 C ATOM 1621 O VAL A 105 88.976 -9.622 -2.834 1.00 0.00 O ATOM 1622 CB VAL A 105 88.149 -7.055 -1.215 1.00 0.00 C ATOM 1623 CG1 VAL A 105 86.810 -6.994 -1.950 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.103 -8.168 -0.166 1.00 0.00 C ATOM 0 H VAL A 105 88.788 -5.369 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 105 90.171 -7.605 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 105 88.336 -6.103 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.010 -6.804 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 105 86.836 -6.191 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.628 -7.943 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.297 -7.969 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 105 87.926 -9.124 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.053 -8.205 0.368 1.00 0.00 H new ATOM 1634 N TYR A 106 88.471 -8.113 -4.360 1.00 0.00 N ATOM 1635 CA TYR A 106 88.086 -9.153 -5.360 1.00 0.00 C ATOM 1636 C TYR A 106 88.760 -8.863 -6.704 1.00 0.00 C ATOM 1637 O TYR A 106 88.107 -8.578 -7.688 1.00 0.00 O ATOM 1638 CB TYR A 106 86.570 -9.140 -5.555 1.00 0.00 C ATOM 1639 CG TYR A 106 85.903 -9.866 -4.416 1.00 0.00 C ATOM 1640 CD1 TYR A 106 86.035 -11.255 -4.300 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.142 -9.153 -3.482 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.407 -11.932 -3.250 1.00 0.00 C ATOM 1643 CE2 TYR A 106 84.515 -9.828 -2.431 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.647 -11.219 -2.315 1.00 0.00 C ATOM 1645 OH TYR A 106 84.029 -11.885 -1.278 1.00 0.00 O ATOM 0 H TYR A 106 88.381 -7.151 -4.686 1.00 0.00 H new ATOM 0 HA TYR A 106 88.406 -10.128 -4.994 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.209 -8.113 -5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.312 -9.614 -6.502 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.622 -11.804 -5.022 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.039 -8.082 -3.574 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.508 -13.004 -3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 106 83.929 -9.279 -1.709 1.00 0.00 H new ATOM 0 HH TYR A 106 83.543 -11.242 -0.720 1.00 0.00 H new ATOM 1655 N ALA A 107 90.058 -8.936 -6.760 1.00 0.00 N ATOM 1656 CA ALA A 107 90.761 -8.665 -8.051 1.00 0.00 C ATOM 1657 C ALA A 107 90.302 -9.667 -9.120 1.00 0.00 C ATOM 1658 O ALA A 107 90.034 -10.820 -8.842 1.00 0.00 O ATOM 1659 CB ALA A 107 92.274 -8.793 -7.855 1.00 0.00 C ATOM 0 H ALA A 107 90.664 -9.170 -5.974 1.00 0.00 H new ATOM 0 HA ALA A 107 90.520 -7.653 -8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.781 -8.594 -8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 107 92.606 -8.074 -7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.513 -9.802 -7.520 1.00 0.00 H new