USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1013 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 29 ASN : amide:sc= 1.06 K(o=2.3,f=-2.5!) USER MOD Set 1.2: A 70 SER OG : rot -52:sc= 1.21 USER MOD Set 2.1: A 57 ASN : amide:sc= 0.937 K(o=0.93,f=-0.01) USER MOD Set 2.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 102 MET CE :methyl -168:sc=-0.00972 (180deg=-0.22) USER MOD Set 3.1: A 47 THR OG1 : rot 90:sc= 0.446 USER MOD Set 3.2: A 52 TYR OH : rot 164:sc= 1.41 USER MOD Set 3.3: A 86 HIS : no HD1:sc= 0.899 K(o=3.7,f=0.12) USER MOD Set 3.4: A 121 CYS SG : rot -163:sc= 0.963 USER MOD Single : A 6 GLN : amide:sc= 0.457 K(o=0.46,f=-0.22) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 141:sc= 1.66 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 1.06 K(o=1.1,f=-3.9) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0999 USER MOD Single : A 39 LYS NZ :NH3+ -140:sc= 1.22 (180deg=0.503) USER MOD Single : A 41 CYS SG : rot -174:sc= -1.36 USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= 0.0795 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 130:sc=-0.000897 USER MOD Single : A 53 CYS SG : rot 120:sc= -0.679 USER MOD Single : A 65 SER OG : rot 62:sc= 0.314 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 160:sc= -0.227 USER MOD Single : A 72 MET CE :methyl -129:sc= 0 (180deg=-0.16) USER MOD Single : A 74 GLN : amide:sc= 0.234 X(o=0.23,f=-0.028) USER MOD Single : A 78 TYR OH : rot 25:sc= 0.468 USER MOD Single : A 81 ASN : amide:sc= 1.14 K(o=1.1,f=-0.00069) USER MOD Single : A 83 LYS NZ :NH3+ -156:sc= 0.795 (180deg=0.464) USER MOD Single : A 84 SER OG : rot 152:sc= 1.31 USER MOD Single : A 85 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.11) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -170:sc= 0 (180deg=-0.12) USER MOD Single : A 91 GLN : amide:sc= 0.223 X(o=0.22,f=0) USER MOD Single : A 92 THR OG1 : rot 10:sc= 0.665 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 37:sc= 0.0416 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -172:sc= 0 (180deg=-0.0701) USER MOD ----------------------------------------------------------------- ATOM 63 N GLN A 6 8.815 28.820 0.187 1.00 0.00 N ATOM 64 CA GLN A 6 7.480 28.688 -0.412 1.00 0.00 C ATOM 65 C GLN A 6 6.921 30.019 -0.932 1.00 0.00 C ATOM 66 O GLN A 6 7.305 31.109 -0.500 1.00 0.00 O ATOM 67 CB GLN A 6 6.490 27.990 0.546 1.00 0.00 C ATOM 68 CG GLN A 6 5.891 28.864 1.662 1.00 0.00 C ATOM 69 CD GLN A 6 6.957 29.474 2.581 1.00 0.00 C ATOM 70 OE1 GLN A 6 7.081 30.679 2.742 1.00 0.00 O ATOM 71 NE2 GLN A 6 7.805 28.671 3.197 1.00 0.00 N ATOM 0 HA GLN A 6 7.603 28.048 -1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.671 27.582 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.000 27.145 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.304 29.665 1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.205 28.263 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.726 27.661 3.082 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.539 29.061 3.788 1.00 0.00 H new ATOM 80 N ILE A 7 5.975 29.898 -1.862 1.00 0.00 N ATOM 81 CA ILE A 7 5.314 31.038 -2.506 1.00 0.00 C ATOM 82 C ILE A 7 4.429 31.841 -1.541 1.00 0.00 C ATOM 83 O ILE A 7 4.413 33.067 -1.606 1.00 0.00 O ATOM 84 CB ILE A 7 4.520 30.533 -3.732 1.00 0.00 C ATOM 85 CG1 ILE A 7 3.980 31.671 -4.618 1.00 0.00 C ATOM 86 CG2 ILE A 7 3.340 29.634 -3.329 1.00 0.00 C ATOM 87 CD1 ILE A 7 5.113 32.454 -5.281 1.00 0.00 C ATOM 0 H ILE A 7 5.640 28.994 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 7 6.083 31.737 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 7 5.244 29.957 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.326 31.256 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.375 32.347 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.812 29.304 -4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.713 28.765 -2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.657 30.195 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.694 33.249 -5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.752 32.890 -4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.703 31.783 -5.905 1.00 0.00 H new ATOM 99 N LEU A 8 3.692 31.167 -0.649 1.00 0.00 N ATOM 100 CA LEU A 8 2.695 31.831 0.204 1.00 0.00 C ATOM 101 C LEU A 8 3.344 32.574 1.380 1.00 0.00 C ATOM 102 O LEU A 8 4.224 32.035 2.051 1.00 0.00 O ATOM 103 CB LEU A 8 1.626 30.834 0.702 1.00 0.00 C ATOM 104 CG LEU A 8 0.556 30.397 -0.322 1.00 0.00 C ATOM 105 CD1 LEU A 8 -0.646 29.788 0.399 1.00 0.00 C ATOM 106 CD2 LEU A 8 -0.006 31.549 -1.154 1.00 0.00 C ATOM 0 H LEU A 8 3.767 30.161 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 8 2.198 32.577 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.136 29.941 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.117 31.279 1.557 1.00 0.00 H new ATOM 0 HG LEU A 8 1.067 29.690 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.394 29.484 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.324 28.918 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.078 30.527 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.751 31.165 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.470 32.282 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.802 32.023 -1.712 1.00 0.00 H new ATOM 118 N VAL A 9 2.852 33.783 1.666 1.00 0.00 N ATOM 119 CA VAL A 9 3.222 34.563 2.860 1.00 0.00 C ATOM 120 C VAL A 9 2.162 34.400 3.948 1.00 0.00 C ATOM 121 O VAL A 9 0.966 34.470 3.661 1.00 0.00 O ATOM 122 CB VAL A 9 3.515 36.043 2.535 1.00 0.00 C ATOM 123 CG1 VAL A 9 4.888 36.153 1.874 1.00 0.00 C ATOM 124 CG2 VAL A 9 2.491 36.722 1.615 1.00 0.00 C ATOM 0 H VAL A 9 2.175 34.258 1.069 1.00 0.00 H new ATOM 0 HA VAL A 9 4.160 34.162 3.244 1.00 0.00 H new ATOM 0 HB VAL A 9 3.466 36.561 3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.098 37.197 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.650 35.771 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.897 35.569 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.784 37.758 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.453 36.196 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.507 36.695 2.083 1.00 0.00 H new ATOM 134 N LEU A 10 2.604 34.146 5.187 1.00 0.00 N ATOM 135 CA LEU A 10 1.747 33.787 6.324 1.00 0.00 C ATOM 136 C LEU A 10 1.771 34.879 7.412 1.00 0.00 C ATOM 137 O LEU A 10 2.715 35.667 7.489 1.00 0.00 O ATOM 138 CB LEU A 10 2.067 32.385 6.907 1.00 0.00 C ATOM 139 CG LEU A 10 2.385 31.253 5.903 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.854 31.243 5.487 1.00 0.00 C ATOM 141 CD2 LEU A 10 2.098 29.895 6.535 1.00 0.00 C ATOM 0 H LEU A 10 3.593 34.186 5.432 1.00 0.00 H new ATOM 0 HA LEU A 10 0.730 33.725 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.918 32.487 7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.217 32.070 7.512 1.00 0.00 H new ATOM 0 HG LEU A 10 1.758 31.435 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.027 30.430 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.105 32.193 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.480 31.099 6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.325 29.105 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.717 29.769 7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.046 29.839 6.815 1.00 0.00 H new ATOM 153 N ASP A 11 0.754 34.916 8.273 1.00 0.00 N ATOM 154 CA ASP A 11 0.629 35.883 9.371 1.00 0.00 C ATOM 155 C ASP A 11 -0.144 35.280 10.560 1.00 0.00 C ATOM 156 O ASP A 11 -1.342 35.007 10.414 1.00 0.00 O ATOM 157 CB ASP A 11 -0.101 37.144 8.890 1.00 0.00 C ATOM 158 CG ASP A 11 -0.078 38.254 9.954 1.00 0.00 C ATOM 159 OD1 ASP A 11 1.012 38.550 10.501 1.00 0.00 O ATOM 160 OD2 ASP A 11 -1.147 38.844 10.240 1.00 0.00 O ATOM 0 H ASP A 11 -0.026 34.260 8.228 1.00 0.00 H new ATOM 0 HA ASP A 11 1.636 36.140 9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.365 37.508 7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.134 36.896 8.645 1.00 0.00 H new ATOM 165 N PRO A 12 0.490 35.084 11.734 1.00 0.00 N ATOM 166 CA PRO A 12 1.929 35.227 11.998 1.00 0.00 C ATOM 167 C PRO A 12 2.810 34.251 11.171 1.00 0.00 C ATOM 168 O PRO A 12 2.447 33.085 11.009 1.00 0.00 O ATOM 169 CB PRO A 12 2.088 34.985 13.505 1.00 0.00 C ATOM 170 CG PRO A 12 0.871 34.132 13.868 1.00 0.00 C ATOM 171 CD PRO A 12 -0.205 34.698 12.950 1.00 0.00 C ATOM 0 HA PRO A 12 2.274 36.216 11.696 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.021 34.468 13.731 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.100 35.922 14.062 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.047 33.072 13.684 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.603 34.232 14.920 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.976 33.955 12.743 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.701 35.554 13.407 1.00 0.00 H new ATOM 179 N PRO A 13 3.972 34.697 10.642 1.00 0.00 N ATOM 180 CA PRO A 13 4.835 33.894 9.763 1.00 0.00 C ATOM 181 C PRO A 13 5.718 32.867 10.482 1.00 0.00 C ATOM 182 O PRO A 13 6.072 31.836 9.907 1.00 0.00 O ATOM 183 CB PRO A 13 5.721 34.916 9.042 1.00 0.00 C ATOM 184 CG PRO A 13 5.804 36.091 10.011 1.00 0.00 C ATOM 185 CD PRO A 13 4.420 36.083 10.653 1.00 0.00 C ATOM 0 HA PRO A 13 4.208 33.294 9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.708 34.506 8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.287 35.216 8.088 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.595 35.955 10.748 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.007 37.030 9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.461 36.470 11.671 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.730 36.719 10.098 1.00 0.00 H new ATOM 193 N THR A 14 6.110 33.170 11.718 1.00 0.00 N ATOM 194 CA THR A 14 7.081 32.387 12.504 1.00 0.00 C ATOM 195 C THR A 14 6.439 31.242 13.289 1.00 0.00 C ATOM 196 O THR A 14 6.802 30.083 13.092 1.00 0.00 O ATOM 197 CB THR A 14 7.867 33.286 13.469 1.00 0.00 C ATOM 198 OG1 THR A 14 6.993 34.183 14.131 1.00 0.00 O ATOM 199 CG2 THR A 14 8.911 34.126 12.736 1.00 0.00 C ATOM 0 H THR A 14 5.757 33.985 12.219 1.00 0.00 H new ATOM 0 HA THR A 14 7.760 31.946 11.774 1.00 0.00 H new ATOM 0 HB THR A 14 8.361 32.623 14.180 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.508 34.749 14.744 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.446 34.749 13.453 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.617 33.468 12.229 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.416 34.762 12.002 1.00 0.00 H new ATOM 207 N ASP A 15 5.482 31.559 14.167 1.00 0.00 N ATOM 208 CA ASP A 15 4.829 30.627 15.094 1.00 0.00 C ATOM 209 C ASP A 15 3.347 30.996 15.312 1.00 0.00 C ATOM 210 O ASP A 15 2.972 32.165 15.200 1.00 0.00 O ATOM 211 CB ASP A 15 5.573 30.634 16.438 1.00 0.00 C ATOM 212 CG ASP A 15 7.027 30.156 16.315 1.00 0.00 C ATOM 213 OD1 ASP A 15 7.257 28.970 15.985 1.00 0.00 O ATOM 214 OD2 ASP A 15 7.956 30.945 16.610 1.00 0.00 O ATOM 0 H ASP A 15 5.126 32.511 14.255 1.00 0.00 H new ATOM 0 HA ASP A 15 4.865 29.629 14.657 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.561 31.643 16.850 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.044 29.995 17.145 1.00 0.00 H new ATOM 219 N LEU A 16 2.512 30.022 15.688 1.00 0.00 N ATOM 220 CA LEU A 16 1.101 30.230 16.032 1.00 0.00 C ATOM 221 C LEU A 16 0.999 30.572 17.525 1.00 0.00 C ATOM 222 O LEU A 16 1.451 29.807 18.378 1.00 0.00 O ATOM 223 CB LEU A 16 0.275 28.958 15.735 1.00 0.00 C ATOM 224 CG LEU A 16 -0.309 28.771 14.323 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.423 29.769 14.015 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.742 28.853 13.223 1.00 0.00 C ATOM 0 H LEU A 16 2.804 29.047 15.763 1.00 0.00 H new ATOM 0 HA LEU A 16 0.703 31.047 15.431 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.907 28.096 15.949 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.554 28.929 16.442 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.722 27.762 14.331 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.800 29.594 13.007 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.233 29.643 14.733 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.032 30.784 14.085 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.265 28.713 12.253 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.224 29.830 13.253 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.490 28.075 13.375 1.00 0.00 H new ATOM 238 N LYS A 17 0.379 31.711 17.845 1.00 0.00 N ATOM 239 CA LYS A 17 0.270 32.234 19.215 1.00 0.00 C ATOM 240 C LYS A 17 -1.132 32.012 19.770 1.00 0.00 C ATOM 241 O LYS A 17 -2.111 32.556 19.259 1.00 0.00 O ATOM 242 CB LYS A 17 0.697 33.712 19.269 1.00 0.00 C ATOM 243 CG LYS A 17 2.174 33.905 18.888 1.00 0.00 C ATOM 244 CD LYS A 17 2.581 35.382 18.988 1.00 0.00 C ATOM 245 CE LYS A 17 4.054 35.553 18.593 1.00 0.00 C ATOM 246 NZ LYS A 17 4.485 36.974 18.690 1.00 0.00 N ATOM 0 H LYS A 17 -0.070 32.308 17.150 1.00 0.00 H new ATOM 0 HA LYS A 17 0.955 31.681 19.857 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.070 34.294 18.593 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.529 34.100 20.274 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.804 33.306 19.545 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.341 33.546 17.872 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.950 35.986 18.336 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.425 35.742 20.005 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.679 34.938 19.240 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.202 35.196 17.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.485 37.053 18.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.905 37.557 18.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.367 37.307 19.668 1.00 0.00 H new ATOM 260 N PHE A 18 -1.209 31.213 20.829 1.00 0.00 N ATOM 261 CA PHE A 18 -2.434 30.847 21.532 1.00 0.00 C ATOM 262 C PHE A 18 -2.487 31.573 22.886 1.00 0.00 C ATOM 263 O PHE A 18 -1.677 31.297 23.774 1.00 0.00 O ATOM 264 CB PHE A 18 -2.486 29.315 21.677 1.00 0.00 C ATOM 265 CG PHE A 18 -2.526 28.575 20.353 1.00 0.00 C ATOM 266 CD1 PHE A 18 -3.769 28.393 19.725 1.00 0.00 C ATOM 267 CD2 PHE A 18 -1.353 28.103 19.724 1.00 0.00 C ATOM 268 CE1 PHE A 18 -3.854 27.787 18.465 1.00 0.00 C ATOM 269 CE2 PHE A 18 -1.441 27.479 18.469 1.00 0.00 C ATOM 270 CZ PHE A 18 -2.682 27.342 17.826 1.00 0.00 C ATOM 0 H PHE A 18 -0.380 30.783 21.240 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.314 31.157 20.969 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.615 28.983 22.242 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.366 29.044 22.260 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.670 28.724 20.220 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.394 28.221 20.205 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.814 27.662 17.986 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.547 27.101 17.995 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.737 26.896 16.844 1.00 0.00 H new ATOM 280 N LYS A 19 -3.433 32.510 23.042 1.00 0.00 N ATOM 281 CA LYS A 19 -3.673 33.251 24.293 1.00 0.00 C ATOM 282 C LYS A 19 -5.010 32.854 24.918 1.00 0.00 C ATOM 283 O LYS A 19 -6.043 32.923 24.250 1.00 0.00 O ATOM 284 CB LYS A 19 -3.522 34.763 24.038 1.00 0.00 C ATOM 285 CG LYS A 19 -3.502 35.641 25.309 1.00 0.00 C ATOM 286 CD LYS A 19 -4.859 35.996 25.954 1.00 0.00 C ATOM 287 CE LYS A 19 -5.890 36.643 25.011 1.00 0.00 C ATOM 288 NZ LYS A 19 -5.538 38.044 24.647 1.00 0.00 N ATOM 0 H LYS A 19 -4.066 32.781 22.289 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.921 32.983 25.035 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.599 34.932 23.483 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.342 35.092 23.400 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.896 35.132 26.059 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.992 36.573 25.066 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.293 35.087 26.370 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.679 36.674 26.788 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.971 36.046 24.103 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.870 36.631 25.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.265 38.431 24.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.487 38.624 25.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.616 38.057 24.166 1.00 0.00 H new ATOM 302 N GLY A 20 -5.005 32.481 26.197 1.00 0.00 N ATOM 303 CA GLY A 20 -6.195 32.096 26.948 1.00 0.00 C ATOM 304 C GLY A 20 -5.810 31.317 28.207 1.00 0.00 C ATOM 305 O GLY A 20 -4.634 31.026 28.412 1.00 0.00 O ATOM 0 H GLY A 20 -4.150 32.438 26.752 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.761 32.986 27.224 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.845 31.486 26.321 1.00 0.00 H new ATOM 309 N PRO A 21 -6.770 30.952 29.072 1.00 0.00 N ATOM 310 CA PRO A 21 -6.450 30.151 30.259 1.00 0.00 C ATOM 311 C PRO A 21 -6.184 28.659 30.046 1.00 0.00 C ATOM 312 O PRO A 21 -5.688 27.930 30.902 1.00 0.00 O ATOM 313 CB PRO A 21 -7.668 30.297 31.145 1.00 0.00 C ATOM 314 CG PRO A 21 -8.350 31.585 30.703 1.00 0.00 C ATOM 315 CD PRO A 21 -8.092 31.555 29.199 1.00 0.00 C ATOM 0 HA PRO A 21 -5.507 30.520 30.662 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.336 29.443 31.035 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.383 30.346 32.196 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.414 31.589 30.938 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.916 32.465 31.178 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.848 30.969 28.677 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.115 32.557 28.771 1.00 0.00 H new ATOM 323 N PHE A 22 -6.646 28.263 28.877 1.00 0.00 N ATOM 324 CA PHE A 22 -6.799 26.931 28.281 1.00 0.00 C ATOM 325 C PHE A 22 -7.860 26.064 28.979 1.00 0.00 C ATOM 326 O PHE A 22 -7.918 24.852 28.810 1.00 0.00 O ATOM 327 CB PHE A 22 -5.431 26.288 28.078 1.00 0.00 C ATOM 328 CG PHE A 22 -4.475 27.158 27.283 1.00 0.00 C ATOM 329 CD1 PHE A 22 -4.471 27.116 25.879 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.624 28.053 27.952 1.00 0.00 C ATOM 331 CE1 PHE A 22 -3.554 27.899 25.155 1.00 0.00 C ATOM 332 CE2 PHE A 22 -2.712 28.845 27.232 1.00 0.00 C ATOM 333 CZ PHE A 22 -2.670 28.759 25.831 1.00 0.00 C ATOM 0 H PHE A 22 -6.974 28.969 28.218 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.226 27.037 27.284 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.991 26.070 29.051 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.557 25.335 27.565 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.172 26.483 25.356 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.670 28.134 29.028 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.529 27.840 24.077 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.047 29.517 27.754 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.960 29.352 25.274 1.00 0.00 H new ATOM 343 N THR A 23 -8.752 26.728 29.716 1.00 0.00 N ATOM 344 CA THR A 23 -9.987 26.179 30.305 1.00 0.00 C ATOM 345 C THR A 23 -11.039 25.796 29.241 1.00 0.00 C ATOM 346 O THR A 23 -11.881 24.925 29.468 1.00 0.00 O ATOM 347 CB THR A 23 -10.547 27.222 31.285 1.00 0.00 C ATOM 348 OG1 THR A 23 -11.674 26.743 31.983 1.00 0.00 O ATOM 349 CG2 THR A 23 -10.933 28.517 30.561 1.00 0.00 C ATOM 0 H THR A 23 -8.631 27.717 29.933 1.00 0.00 H new ATOM 0 HA THR A 23 -9.747 25.252 30.825 1.00 0.00 H new ATOM 0 HB THR A 23 -9.749 27.424 31.999 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.998 27.436 32.596 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.326 29.234 31.282 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.053 28.937 30.073 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.695 28.302 29.812 1.00 0.00 H new ATOM 357 N ASP A 24 -10.964 26.413 28.052 1.00 0.00 N ATOM 358 CA ASP A 24 -11.820 26.154 26.883 1.00 0.00 C ATOM 359 C ASP A 24 -10.995 26.223 25.576 1.00 0.00 C ATOM 360 O ASP A 24 -9.787 26.482 25.601 1.00 0.00 O ATOM 361 CB ASP A 24 -12.966 27.188 26.872 1.00 0.00 C ATOM 362 CG ASP A 24 -14.234 26.748 26.115 1.00 0.00 C ATOM 363 OD1 ASP A 24 -14.237 25.685 25.449 1.00 0.00 O ATOM 364 OD2 ASP A 24 -15.244 27.491 26.175 1.00 0.00 O ATOM 0 H ASP A 24 -10.272 27.140 27.870 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.240 25.150 26.948 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.238 27.418 27.902 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.597 28.112 26.426 1.00 0.00 H new ATOM 369 N VAL A 25 -11.644 26.016 24.428 1.00 0.00 N ATOM 370 CA VAL A 25 -11.034 26.114 23.094 1.00 0.00 C ATOM 371 C VAL A 25 -10.486 27.525 22.835 1.00 0.00 C ATOM 372 O VAL A 25 -11.177 28.523 23.048 1.00 0.00 O ATOM 373 CB VAL A 25 -12.049 25.733 21.998 1.00 0.00 C ATOM 374 CG1 VAL A 25 -11.511 25.966 20.579 1.00 0.00 C ATOM 375 CG2 VAL A 25 -12.434 24.252 22.093 1.00 0.00 C ATOM 0 H VAL A 25 -12.633 25.769 24.396 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.202 25.411 23.062 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.911 26.378 22.170 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.270 25.680 19.851 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.265 27.020 20.452 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.616 25.364 20.426 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.151 24.011 21.308 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.543 23.636 21.972 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.882 24.054 23.067 1.00 0.00 H new ATOM 385 N VAL A 26 -9.260 27.595 22.307 1.00 0.00 N ATOM 386 CA VAL A 26 -8.628 28.819 21.793 1.00 0.00 C ATOM 387 C VAL A 26 -8.774 28.867 20.276 1.00 0.00 C ATOM 388 O VAL A 26 -8.325 27.954 19.583 1.00 0.00 O ATOM 389 CB VAL A 26 -7.137 28.899 22.169 1.00 0.00 C ATOM 390 CG1 VAL A 26 -6.520 30.244 21.768 1.00 0.00 C ATOM 391 CG2 VAL A 26 -6.925 28.747 23.671 1.00 0.00 C ATOM 0 H VAL A 26 -8.659 26.776 22.222 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.132 29.671 22.249 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.657 28.083 21.630 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.467 30.260 22.051 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.608 30.378 20.690 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.045 31.052 22.278 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.860 28.809 23.896 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.454 29.543 24.195 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.309 27.780 23.997 1.00 0.00 H new ATOM 401 N THR A 27 -9.354 29.948 19.759 1.00 0.00 N ATOM 402 CA THR A 27 -9.424 30.211 18.311 1.00 0.00 C ATOM 403 C THR A 27 -8.291 31.151 17.902 1.00 0.00 C ATOM 404 O THR A 27 -8.171 32.257 18.434 1.00 0.00 O ATOM 405 CB THR A 27 -10.791 30.767 17.883 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.810 29.872 18.280 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.898 30.916 16.362 1.00 0.00 C ATOM 0 H THR A 27 -9.792 30.672 20.328 1.00 0.00 H new ATOM 0 HA THR A 27 -9.304 29.260 17.791 1.00 0.00 H new ATOM 0 HB THR A 27 -10.898 31.744 18.354 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.682 30.228 18.008 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.880 31.312 16.103 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.126 31.600 16.008 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.764 29.942 15.891 1.00 0.00 H new ATOM 415 N THR A 28 -7.482 30.723 16.933 1.00 0.00 N ATOM 416 CA THR A 28 -6.322 31.454 16.401 1.00 0.00 C ATOM 417 C THR A 28 -6.441 31.492 14.885 1.00 0.00 C ATOM 418 O THR A 28 -6.426 30.446 14.241 1.00 0.00 O ATOM 419 CB THR A 28 -5.011 30.770 16.828 1.00 0.00 C ATOM 420 OG1 THR A 28 -4.895 30.824 18.230 1.00 0.00 O ATOM 421 CG2 THR A 28 -3.755 31.440 16.265 1.00 0.00 C ATOM 0 H THR A 28 -7.619 29.822 16.476 1.00 0.00 H new ATOM 0 HA THR A 28 -6.305 32.469 16.797 1.00 0.00 H new ATOM 0 HB THR A 28 -5.067 29.753 16.440 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.524 29.979 18.560 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.871 30.903 16.609 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.790 31.422 15.176 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.708 32.473 16.609 1.00 0.00 H new ATOM 429 N ASN A 29 -6.585 32.682 14.299 1.00 0.00 N ATOM 430 CA ASN A 29 -6.714 32.831 12.849 1.00 0.00 C ATOM 431 C ASN A 29 -5.353 33.169 12.213 1.00 0.00 C ATOM 432 O ASN A 29 -4.652 34.077 12.665 1.00 0.00 O ATOM 433 CB ASN A 29 -7.827 33.841 12.526 1.00 0.00 C ATOM 434 CG ASN A 29 -9.142 33.508 13.201 1.00 0.00 C ATOM 435 OD1 ASN A 29 -9.714 32.445 13.004 1.00 0.00 O ATOM 436 ND2 ASN A 29 -9.661 34.387 14.023 1.00 0.00 N ATOM 0 H ASN A 29 -6.615 33.563 14.812 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.017 31.885 12.400 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -7.508 34.836 12.835 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -7.977 33.875 11.447 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.541 34.184 14.498 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.185 35.274 14.188 1.00 0.00 H new ATOM 443 N LEU A 30 -4.996 32.435 11.158 1.00 0.00 N ATOM 444 CA LEU A 30 -3.751 32.561 10.395 1.00 0.00 C ATOM 445 C LEU A 30 -4.091 33.113 9.008 1.00 0.00 C ATOM 446 O LEU A 30 -4.896 32.509 8.300 1.00 0.00 O ATOM 447 CB LEU A 30 -3.089 31.171 10.313 1.00 0.00 C ATOM 448 CG LEU A 30 -1.700 31.183 9.646 1.00 0.00 C ATOM 449 CD1 LEU A 30 -0.606 31.614 10.616 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.321 29.798 9.137 1.00 0.00 C ATOM 0 H LEU A 30 -5.599 31.698 10.793 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.050 33.245 10.874 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.995 30.764 11.320 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.743 30.499 9.757 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.773 31.893 8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.357 31.608 10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.818 32.619 10.980 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.573 30.923 11.458 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.336 29.838 8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.300 29.097 9.971 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.056 29.466 8.403 1.00 0.00 H new ATOM 462 N LYS A 31 -3.506 34.241 8.600 1.00 0.00 N ATOM 463 CA LYS A 31 -3.813 34.889 7.313 1.00 0.00 C ATOM 464 C LYS A 31 -2.758 34.552 6.262 1.00 0.00 C ATOM 465 O LYS A 31 -1.573 34.762 6.511 1.00 0.00 O ATOM 466 CB LYS A 31 -3.956 36.401 7.528 1.00 0.00 C ATOM 467 CG LYS A 31 -4.734 37.063 6.384 1.00 0.00 C ATOM 468 CD LYS A 31 -5.206 38.487 6.718 1.00 0.00 C ATOM 469 CE LYS A 31 -6.343 38.475 7.754 1.00 0.00 C ATOM 470 NZ LYS A 31 -6.866 39.845 8.011 1.00 0.00 N ATOM 0 H LYS A 31 -2.804 34.736 9.150 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.760 34.507 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.467 36.588 8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.967 36.853 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.104 37.095 5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.600 36.448 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.368 39.068 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.546 38.982 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.152 37.837 7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.981 38.042 8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.631 39.798 8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.099 40.447 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.234 40.248 7.126 1.00 0.00 H new ATOM 484 N LEU A 32 -3.175 34.032 5.107 1.00 0.00 N ATOM 485 CA LEU A 32 -2.284 33.633 4.017 1.00 0.00 C ATOM 486 C LEU A 32 -2.562 34.445 2.755 1.00 0.00 C ATOM 487 O LEU A 32 -3.671 34.366 2.229 1.00 0.00 O ATOM 488 CB LEU A 32 -2.424 32.132 3.677 1.00 0.00 C ATOM 489 CG LEU A 32 -2.227 31.061 4.762 1.00 0.00 C ATOM 490 CD1 LEU A 32 -1.153 31.413 5.772 1.00 0.00 C ATOM 491 CD2 LEU A 32 -3.508 30.767 5.531 1.00 0.00 C ATOM 0 H LEU A 32 -4.161 33.873 4.899 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.269 33.825 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.422 31.989 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.713 31.916 2.880 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.914 30.179 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.069 30.613 6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.199 31.537 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.418 32.342 6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.313 30.004 6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.857 31.677 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.272 30.409 4.841 1.00 0.00 H new ATOM 503 N ARG A 33 -1.563 35.169 2.238 1.00 0.00 N ATOM 504 CA ARG A 33 -1.650 35.916 0.967 1.00 0.00 C ATOM 505 C ARG A 33 -0.746 35.297 -0.096 1.00 0.00 C ATOM 506 O ARG A 33 0.333 34.792 0.207 1.00 0.00 O ATOM 507 CB ARG A 33 -1.410 37.423 1.209 1.00 0.00 C ATOM 508 CG ARG A 33 -1.604 38.301 -0.044 1.00 0.00 C ATOM 509 CD ARG A 33 -0.302 38.653 -0.783 1.00 0.00 C ATOM 510 NE ARG A 33 0.503 39.649 -0.043 1.00 0.00 N ATOM 511 CZ ARG A 33 0.357 40.965 -0.046 1.00 0.00 C ATOM 512 NH1 ARG A 33 -0.578 41.563 -0.729 1.00 0.00 N ATOM 513 NH2 ARG A 33 1.163 41.718 0.647 1.00 0.00 N ATOM 0 H ARG A 33 -0.655 35.257 2.694 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.660 35.836 0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.089 37.767 1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.396 37.563 1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.271 37.785 -0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.102 39.225 0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.287 37.748 -0.930 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.541 39.043 -1.773 1.00 0.00 H new ATOM 0 HE ARG A 33 1.257 39.280 0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.231 41.014 -1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.657 42.580 -0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.911 41.294 1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.046 42.731 0.641 1.00 0.00 H new ATOM 527 N ASN A 34 -1.180 35.367 -1.354 1.00 0.00 N ATOM 528 CA ASN A 34 -0.445 34.848 -2.501 1.00 0.00 C ATOM 529 C ASN A 34 0.192 36.006 -3.287 1.00 0.00 C ATOM 530 O ASN A 34 -0.541 36.809 -3.862 1.00 0.00 O ATOM 531 CB ASN A 34 -1.428 34.019 -3.339 1.00 0.00 C ATOM 532 CG ASN A 34 -0.809 33.401 -4.578 1.00 0.00 C ATOM 533 OD1 ASN A 34 0.388 33.450 -4.818 1.00 0.00 O ATOM 534 ND2 ASN A 34 -1.634 32.807 -5.398 1.00 0.00 N ATOM 0 H ASN A 34 -2.071 35.795 -1.607 1.00 0.00 H new ATOM 0 HA ASN A 34 0.380 34.205 -2.195 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.841 33.225 -2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.261 34.655 -3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.282 32.376 -6.253 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.631 32.774 -5.184 1.00 0.00 H new ATOM 541 N PRO A 35 1.533 36.104 -3.333 1.00 0.00 N ATOM 542 CA PRO A 35 2.215 37.162 -4.073 1.00 0.00 C ATOM 543 C PRO A 35 2.181 36.957 -5.601 1.00 0.00 C ATOM 544 O PRO A 35 2.333 37.912 -6.365 1.00 0.00 O ATOM 545 CB PRO A 35 3.653 37.113 -3.572 1.00 0.00 C ATOM 546 CG PRO A 35 3.872 35.675 -3.132 1.00 0.00 C ATOM 547 CD PRO A 35 2.496 35.263 -2.629 1.00 0.00 C ATOM 0 HA PRO A 35 1.725 38.121 -3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.354 37.396 -4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.806 37.806 -2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.206 35.046 -3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.627 35.602 -2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.309 34.208 -2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.419 35.402 -1.551 1.00 0.00 H new ATOM 555 N SER A 36 2.032 35.702 -6.038 1.00 0.00 N ATOM 556 CA SER A 36 2.166 35.265 -7.439 1.00 0.00 C ATOM 557 C SER A 36 1.038 35.731 -8.371 1.00 0.00 C ATOM 558 O SER A 36 -0.042 36.141 -7.944 1.00 0.00 O ATOM 559 CB SER A 36 2.255 33.733 -7.521 1.00 0.00 C ATOM 560 OG SER A 36 3.107 33.356 -8.590 1.00 0.00 O ATOM 0 H SER A 36 1.807 34.933 -5.407 1.00 0.00 H new ATOM 0 HA SER A 36 3.084 35.740 -7.786 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.636 33.331 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.262 33.310 -7.669 1.00 0.00 H new ATOM 0 HG SER A 36 3.161 32.379 -8.636 1.00 0.00 H new ATOM 566 N ASP A 37 1.281 35.550 -9.671 1.00 0.00 N ATOM 567 CA ASP A 37 0.326 35.740 -10.777 1.00 0.00 C ATOM 568 C ASP A 37 -0.371 34.413 -11.171 1.00 0.00 C ATOM 569 O ASP A 37 -0.783 34.213 -12.316 1.00 0.00 O ATOM 570 CB ASP A 37 1.060 36.425 -11.943 1.00 0.00 C ATOM 571 CG ASP A 37 0.109 36.951 -13.035 1.00 0.00 C ATOM 572 OD1 ASP A 37 -0.908 37.608 -12.700 1.00 0.00 O ATOM 573 OD2 ASP A 37 0.407 36.762 -14.240 1.00 0.00 O ATOM 0 H ASP A 37 2.198 35.251 -10.004 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.489 36.392 -10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.651 37.255 -11.554 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.759 35.718 -12.389 1.00 0.00 H new ATOM 578 N ARG A 38 -0.453 33.466 -10.220 1.00 0.00 N ATOM 579 CA ARG A 38 -0.903 32.071 -10.385 1.00 0.00 C ATOM 580 C ARG A 38 -1.746 31.668 -9.178 1.00 0.00 C ATOM 581 O ARG A 38 -1.533 32.212 -8.097 1.00 0.00 O ATOM 582 CB ARG A 38 0.316 31.129 -10.475 1.00 0.00 C ATOM 583 CG ARG A 38 1.312 31.475 -11.591 1.00 0.00 C ATOM 584 CD ARG A 38 2.531 30.545 -11.514 1.00 0.00 C ATOM 585 NE ARG A 38 3.574 30.943 -12.480 1.00 0.00 N ATOM 586 CZ ARG A 38 4.467 31.909 -12.343 1.00 0.00 C ATOM 587 NH1 ARG A 38 4.514 32.678 -11.288 1.00 0.00 N ATOM 588 NH2 ARG A 38 5.342 32.127 -13.282 1.00 0.00 N ATOM 0 H ARG A 38 -0.191 33.666 -9.255 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.491 31.994 -11.300 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.841 31.144 -9.520 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.040 30.110 -10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.830 31.376 -12.564 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.630 32.513 -11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.942 30.564 -10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.221 29.519 -11.713 1.00 0.00 H new ATOM 0 HE ARG A 38 3.610 30.413 -13.351 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.845 32.545 -10.530 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.220 33.412 -11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.339 31.552 -14.125 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.030 32.872 -13.175 1.00 0.00 H new ATOM 602 N LYS A 39 -2.654 30.699 -9.324 1.00 0.00 N ATOM 603 CA LYS A 39 -3.385 30.108 -8.183 1.00 0.00 C ATOM 604 C LYS A 39 -2.634 28.911 -7.589 1.00 0.00 C ATOM 605 O LYS A 39 -1.812 28.285 -8.253 1.00 0.00 O ATOM 606 CB LYS A 39 -4.878 29.861 -8.485 1.00 0.00 C ATOM 607 CG LYS A 39 -5.265 28.913 -9.630 1.00 0.00 C ATOM 608 CD LYS A 39 -5.112 29.447 -11.067 1.00 0.00 C ATOM 609 CE LYS A 39 -5.679 30.856 -11.343 1.00 0.00 C ATOM 610 NZ LYS A 39 -7.133 30.987 -11.021 1.00 0.00 N ATOM 0 H LYS A 39 -2.907 30.299 -10.228 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.408 30.851 -7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.338 29.479 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.335 30.829 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.662 28.009 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.305 28.618 -9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.051 29.451 -11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.597 28.745 -11.745 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.118 31.586 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.524 31.102 -12.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.600 31.562 -11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.569 30.043 -10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.243 31.447 -10.095 1.00 0.00 H new ATOM 624 N VAL A 40 -2.873 28.620 -6.314 1.00 0.00 N ATOM 625 CA VAL A 40 -2.096 27.650 -5.517 1.00 0.00 C ATOM 626 C VAL A 40 -3.001 26.938 -4.513 1.00 0.00 C ATOM 627 O VAL A 40 -3.767 27.584 -3.804 1.00 0.00 O ATOM 628 CB VAL A 40 -0.895 28.371 -4.861 1.00 0.00 C ATOM 629 CG1 VAL A 40 -1.288 29.514 -3.923 1.00 0.00 C ATOM 630 CG2 VAL A 40 0.042 27.432 -4.100 1.00 0.00 C ATOM 0 H VAL A 40 -3.628 29.057 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.690 26.869 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.369 28.788 -5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.389 29.967 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.847 30.266 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.908 29.125 -3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.860 28.007 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.511 26.932 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.445 26.686 -4.785 1.00 0.00 H new ATOM 640 N CYS A 41 -2.910 25.610 -4.427 1.00 0.00 N ATOM 641 CA CYS A 41 -3.661 24.819 -3.449 1.00 0.00 C ATOM 642 C CYS A 41 -2.870 24.752 -2.144 1.00 0.00 C ATOM 643 O CYS A 41 -1.654 24.563 -2.177 1.00 0.00 O ATOM 644 CB CYS A 41 -3.936 23.411 -3.995 1.00 0.00 C ATOM 645 SG CYS A 41 -5.219 23.488 -5.275 1.00 0.00 S ATOM 0 H CYS A 41 -2.312 25.051 -5.035 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.623 25.295 -3.258 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.021 22.987 -4.409 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.255 22.753 -3.186 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.536 22.283 -5.645 1.00 0.00 H new ATOM 651 N PHE A 42 -3.556 24.887 -1.006 1.00 0.00 N ATOM 652 CA PHE A 42 -2.961 24.763 0.334 1.00 0.00 C ATOM 653 C PHE A 42 -3.577 23.633 1.176 1.00 0.00 C ATOM 654 O PHE A 42 -4.777 23.366 1.103 1.00 0.00 O ATOM 655 CB PHE A 42 -2.986 26.118 1.067 1.00 0.00 C ATOM 656 CG PHE A 42 -4.327 26.546 1.638 1.00 0.00 C ATOM 657 CD1 PHE A 42 -4.705 26.149 2.937 1.00 0.00 C ATOM 658 CD2 PHE A 42 -5.183 27.371 0.888 1.00 0.00 C ATOM 659 CE1 PHE A 42 -5.933 26.569 3.476 1.00 0.00 C ATOM 660 CE2 PHE A 42 -6.398 27.819 1.436 1.00 0.00 C ATOM 661 CZ PHE A 42 -6.777 27.412 2.729 1.00 0.00 C ATOM 0 H PHE A 42 -4.556 25.089 -0.986 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.920 24.473 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.263 26.080 1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.647 26.889 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.049 25.520 3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.906 27.662 -0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.229 26.245 4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.039 28.474 0.866 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.715 27.746 3.148 1.00 0.00 H new ATOM 671 N LYS A 43 -2.751 23.000 2.018 1.00 0.00 N ATOM 672 CA LYS A 43 -3.147 21.995 3.022 1.00 0.00 C ATOM 673 C LYS A 43 -2.452 22.205 4.374 1.00 0.00 C ATOM 674 O LYS A 43 -1.315 22.669 4.401 1.00 0.00 O ATOM 675 CB LYS A 43 -2.831 20.583 2.489 1.00 0.00 C ATOM 676 CG LYS A 43 -3.865 20.032 1.500 1.00 0.00 C ATOM 677 CD LYS A 43 -3.444 18.632 1.028 1.00 0.00 C ATOM 678 CE LYS A 43 -4.569 17.958 0.230 1.00 0.00 C ATOM 679 NZ LYS A 43 -4.155 16.618 -0.273 1.00 0.00 N ATOM 0 H LYS A 43 -1.747 23.179 2.022 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.218 22.108 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.856 20.601 2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.753 19.898 3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.846 19.986 1.974 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.956 20.702 0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.549 18.707 0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.186 18.016 1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.452 17.854 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.851 18.592 -0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.918 15.932 -0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.961 16.675 -1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.296 16.310 0.226 1.00 0.00 H new ATOM 693 N VAL A 44 -3.102 21.832 5.485 1.00 0.00 N ATOM 694 CA VAL A 44 -2.589 22.001 6.863 1.00 0.00 C ATOM 695 C VAL A 44 -2.439 20.660 7.600 1.00 0.00 C ATOM 696 O VAL A 44 -3.351 19.832 7.593 1.00 0.00 O ATOM 697 CB VAL A 44 -3.478 22.971 7.678 1.00 0.00 C ATOM 698 CG1 VAL A 44 -2.789 23.365 8.985 1.00 0.00 C ATOM 699 CG2 VAL A 44 -3.772 24.265 6.900 1.00 0.00 C ATOM 0 H VAL A 44 -4.022 21.393 5.456 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.594 22.436 6.772 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.411 22.443 7.877 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.430 24.047 9.543 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.603 22.472 9.582 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.842 23.857 8.763 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.399 24.919 7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.835 24.772 6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.291 24.022 5.973 1.00 0.00 H new ATOM 709 N LYS A 45 -1.310 20.473 8.297 1.00 0.00 N ATOM 710 CA LYS A 45 -1.020 19.350 9.210 1.00 0.00 C ATOM 711 C LYS A 45 -0.652 19.839 10.616 1.00 0.00 C ATOM 712 O LYS A 45 -0.139 20.944 10.778 1.00 0.00 O ATOM 713 CB LYS A 45 0.093 18.453 8.631 1.00 0.00 C ATOM 714 CG LYS A 45 -0.279 17.846 7.268 1.00 0.00 C ATOM 715 CD LYS A 45 0.611 16.642 6.923 1.00 0.00 C ATOM 716 CE LYS A 45 0.240 16.087 5.541 1.00 0.00 C ATOM 717 NZ LYS A 45 1.069 14.901 5.178 1.00 0.00 N ATOM 0 H LYS A 45 -0.533 21.131 8.239 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.930 18.757 9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.007 19.038 8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.308 17.649 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.324 17.535 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.182 18.605 6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.659 16.941 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.493 15.865 7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.814 15.810 5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.371 16.866 4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.788 14.556 4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.073 15.171 5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.924 14.148 5.881 1.00 0.00 H new ATOM 731 N THR A 46 -0.896 19.003 11.624 1.00 0.00 N ATOM 732 CA THR A 46 -0.687 19.296 13.062 1.00 0.00 C ATOM 733 C THR A 46 -0.058 18.106 13.792 1.00 0.00 C ATOM 734 O THR A 46 -0.200 16.970 13.349 1.00 0.00 O ATOM 735 CB THR A 46 -2.017 19.688 13.732 1.00 0.00 C ATOM 736 OG1 THR A 46 -1.793 19.970 15.091 1.00 0.00 O ATOM 737 CG2 THR A 46 -3.082 18.589 13.689 1.00 0.00 C ATOM 0 H THR A 46 -1.259 18.063 11.467 1.00 0.00 H new ATOM 0 HA THR A 46 0.005 20.135 13.130 1.00 0.00 H new ATOM 0 HB THR A 46 -2.382 20.548 13.171 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.198 20.833 15.317 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.989 18.942 14.181 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.305 18.339 12.652 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.711 17.703 14.204 1.00 0.00 H new ATOM 745 N THR A 47 0.619 18.329 14.919 1.00 0.00 N ATOM 746 CA THR A 47 1.184 17.255 15.762 1.00 0.00 C ATOM 747 C THR A 47 0.153 16.457 16.572 1.00 0.00 C ATOM 748 O THR A 47 0.488 15.395 17.097 1.00 0.00 O ATOM 749 CB THR A 47 2.235 17.818 16.722 1.00 0.00 C ATOM 750 OG1 THR A 47 1.803 19.031 17.311 1.00 0.00 O ATOM 751 CG2 THR A 47 3.512 18.133 15.962 1.00 0.00 C ATOM 0 H THR A 47 0.796 19.265 15.282 1.00 0.00 H new ATOM 0 HA THR A 47 1.630 16.558 15.053 1.00 0.00 H new ATOM 0 HB THR A 47 2.399 17.064 17.492 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.320 18.838 18.142 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.256 18.533 16.651 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.896 17.222 15.502 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.302 18.870 15.187 1.00 0.00 H new ATOM 759 N ALA A 48 -1.084 16.954 16.714 1.00 0.00 N ATOM 760 CA ALA A 48 -2.120 16.289 17.514 1.00 0.00 C ATOM 761 C ALA A 48 -3.543 16.574 16.981 1.00 0.00 C ATOM 762 O ALA A 48 -4.142 17.583 17.355 1.00 0.00 O ATOM 763 CB ALA A 48 -1.935 16.732 18.975 1.00 0.00 C ATOM 0 H ALA A 48 -1.393 17.824 16.280 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.010 15.207 17.443 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.691 16.255 19.598 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.943 16.441 19.321 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.040 17.815 19.043 1.00 0.00 H new ATOM 769 N PRO A 49 -4.155 15.686 16.171 1.00 0.00 N ATOM 770 CA PRO A 49 -5.435 15.964 15.498 1.00 0.00 C ATOM 771 C PRO A 49 -6.634 15.986 16.466 1.00 0.00 C ATOM 772 O PRO A 49 -7.683 16.552 16.161 1.00 0.00 O ATOM 773 CB PRO A 49 -5.551 14.869 14.431 1.00 0.00 C ATOM 774 CG PRO A 49 -4.822 13.679 15.054 1.00 0.00 C ATOM 775 CD PRO A 49 -3.699 14.334 15.856 1.00 0.00 C ATOM 0 HA PRO A 49 -5.452 16.962 15.061 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.592 14.631 14.212 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.090 15.174 13.492 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.483 13.092 15.692 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.431 13.003 14.293 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.492 13.771 16.766 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.774 14.360 15.280 1.00 0.00 H new ATOM 783 N ARG A 50 -6.460 15.417 17.669 1.00 0.00 N ATOM 784 CA ARG A 50 -7.411 15.475 18.797 1.00 0.00 C ATOM 785 C ARG A 50 -7.173 16.627 19.793 1.00 0.00 C ATOM 786 O ARG A 50 -7.976 16.814 20.701 1.00 0.00 O ATOM 787 CB ARG A 50 -7.575 14.065 19.408 1.00 0.00 C ATOM 788 CG ARG A 50 -6.285 13.294 19.744 1.00 0.00 C ATOM 789 CD ARG A 50 -5.465 13.948 20.864 1.00 0.00 C ATOM 790 NE ARG A 50 -4.422 13.030 21.370 1.00 0.00 N ATOM 791 CZ ARG A 50 -4.595 12.006 22.193 1.00 0.00 C ATOM 792 NH1 ARG A 50 -5.742 11.735 22.736 1.00 0.00 N ATOM 793 NH2 ARG A 50 -3.614 11.208 22.491 1.00 0.00 N ATOM 0 H ARG A 50 -5.621 14.882 17.894 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.387 15.763 18.406 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.162 14.158 20.322 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.160 13.461 18.714 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.543 12.277 20.038 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.670 13.220 18.847 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.000 14.861 20.492 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.126 14.237 21.681 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.469 13.203 21.052 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.553 12.320 22.534 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.833 10.937 23.365 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.690 11.364 22.089 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.768 10.425 23.127 1.00 0.00 H new ATOM 807 N ARG A 51 -6.107 17.424 19.603 1.00 0.00 N ATOM 808 CA ARG A 51 -5.846 18.697 20.324 1.00 0.00 C ATOM 809 C ARG A 51 -5.947 19.935 19.425 1.00 0.00 C ATOM 810 O ARG A 51 -6.134 21.027 19.946 1.00 0.00 O ATOM 811 CB ARG A 51 -4.480 18.678 21.040 1.00 0.00 C ATOM 812 CG ARG A 51 -4.301 17.588 22.109 1.00 0.00 C ATOM 813 CD ARG A 51 -5.316 17.686 23.256 1.00 0.00 C ATOM 814 NE ARG A 51 -5.064 16.650 24.279 1.00 0.00 N ATOM 815 CZ ARG A 51 -5.766 16.438 25.379 1.00 0.00 C ATOM 816 NH1 ARG A 51 -6.788 17.178 25.701 1.00 0.00 N ATOM 817 NH2 ARG A 51 -5.448 15.466 26.183 1.00 0.00 N ATOM 0 H ARG A 51 -5.378 17.200 18.926 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.637 18.773 21.070 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.699 18.556 20.289 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.323 19.650 21.509 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.390 16.609 21.638 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.293 17.654 22.519 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.259 18.674 23.713 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.326 17.575 22.862 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.266 16.035 24.120 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.069 17.950 25.096 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.307 16.986 26.558 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.654 14.864 25.966 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.993 15.306 27.031 1.00 0.00 H new ATOM 831 N TYR A 52 -5.888 19.779 18.102 1.00 0.00 N ATOM 832 CA TYR A 52 -5.977 20.877 17.136 1.00 0.00 C ATOM 833 C TYR A 52 -6.948 20.573 15.995 1.00 0.00 C ATOM 834 O TYR A 52 -6.886 19.518 15.364 1.00 0.00 O ATOM 835 CB TYR A 52 -4.595 21.154 16.544 1.00 0.00 C ATOM 836 CG TYR A 52 -3.590 21.658 17.549 1.00 0.00 C ATOM 837 CD1 TYR A 52 -3.487 23.035 17.824 1.00 0.00 C ATOM 838 CD2 TYR A 52 -2.775 20.736 18.227 1.00 0.00 C ATOM 839 CE1 TYR A 52 -2.527 23.492 18.744 1.00 0.00 C ATOM 840 CE2 TYR A 52 -1.865 21.181 19.200 1.00 0.00 C ATOM 841 CZ TYR A 52 -1.740 22.563 19.455 1.00 0.00 C ATOM 842 OH TYR A 52 -0.876 23.003 20.397 1.00 0.00 O ATOM 0 H TYR A 52 -5.775 18.866 17.661 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.351 21.748 17.674 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.214 20.238 16.092 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.694 21.888 15.744 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.143 23.737 17.330 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.848 19.683 18.000 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.393 24.551 18.906 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.265 20.470 19.749 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.602 22.253 20.966 1.00 0.00 H new ATOM 852 N CYS A 53 -7.796 21.552 15.693 1.00 0.00 N ATOM 853 CA CYS A 53 -8.750 21.529 14.586 1.00 0.00 C ATOM 854 C CYS A 53 -8.470 22.703 13.634 1.00 0.00 C ATOM 855 O CYS A 53 -8.092 23.781 14.084 1.00 0.00 O ATOM 856 CB CYS A 53 -10.162 21.543 15.190 1.00 0.00 C ATOM 857 SG CYS A 53 -10.381 20.066 16.228 1.00 0.00 S ATOM 0 H CYS A 53 -7.840 22.416 16.233 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.654 20.629 13.979 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.308 22.445 15.784 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.910 21.559 14.397 1.00 0.00 H new ATOM 0 HG CYS A 53 -10.637 20.428 17.450 1.00 0.00 H new ATOM 863 N VAL A 54 -8.637 22.505 12.327 1.00 0.00 N ATOM 864 CA VAL A 54 -8.345 23.493 11.268 1.00 0.00 C ATOM 865 C VAL A 54 -9.610 23.630 10.425 1.00 0.00 C ATOM 866 O VAL A 54 -9.844 22.786 9.569 1.00 0.00 O ATOM 867 CB VAL A 54 -7.146 23.039 10.423 1.00 0.00 C ATOM 868 CG1 VAL A 54 -6.823 24.108 9.370 1.00 0.00 C ATOM 869 CG2 VAL A 54 -5.886 22.881 11.287 1.00 0.00 C ATOM 0 H VAL A 54 -8.991 21.624 11.955 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.074 24.459 11.694 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.414 22.086 9.966 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.972 23.784 8.771 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.688 24.254 8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.580 25.047 9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.054 22.559 10.661 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.642 23.836 11.752 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.067 22.136 12.062 1.00 0.00 H new ATOM 879 N ARG A 55 -10.420 24.681 10.618 1.00 0.00 N ATOM 880 CA ARG A 55 -11.776 24.776 10.025 1.00 0.00 C ATOM 881 C ARG A 55 -11.912 24.447 8.534 1.00 0.00 C ATOM 882 O ARG A 55 -12.680 23.545 8.197 1.00 0.00 O ATOM 883 CB ARG A 55 -12.466 26.100 10.396 1.00 0.00 C ATOM 884 CG ARG A 55 -13.995 25.995 10.303 1.00 0.00 C ATOM 885 CD ARG A 55 -14.656 27.284 10.810 1.00 0.00 C ATOM 886 NE ARG A 55 -16.128 27.206 10.709 1.00 0.00 N ATOM 887 CZ ARG A 55 -16.990 28.166 10.998 1.00 0.00 C ATOM 888 NH1 ARG A 55 -16.605 29.336 11.427 1.00 0.00 N ATOM 889 NH2 ARG A 55 -18.269 27.967 10.859 1.00 0.00 N ATOM 0 H ARG A 55 -10.162 25.489 11.185 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.311 23.951 10.495 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.183 26.385 11.409 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.115 26.890 9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.290 25.810 9.270 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.343 25.146 10.891 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.369 27.459 11.847 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.294 28.133 10.231 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.519 26.322 10.383 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.612 29.533 11.549 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.297 30.054 11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.612 27.066 10.525 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.928 28.712 11.084 1.00 0.00 H new ATOM 903 N PRO A 56 -11.164 25.115 7.642 1.00 0.00 N ATOM 904 CA PRO A 56 -11.119 24.742 6.231 1.00 0.00 C ATOM 905 C PRO A 56 -10.497 23.362 5.959 1.00 0.00 C ATOM 906 O PRO A 56 -10.902 22.668 5.032 1.00 0.00 O ATOM 907 CB PRO A 56 -10.233 25.801 5.564 1.00 0.00 C ATOM 908 CG PRO A 56 -9.436 26.370 6.735 1.00 0.00 C ATOM 909 CD PRO A 56 -10.435 26.351 7.861 1.00 0.00 C ATOM 0 HA PRO A 56 -12.139 24.690 5.851 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.582 25.364 4.807 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.826 26.569 5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.560 25.762 6.961 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.079 27.379 6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.944 26.361 8.834 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.095 27.218 7.828 1.00 0.00 H new ATOM 917 N ASN A 57 -9.466 23.005 6.738 1.00 0.00 N ATOM 918 CA ASN A 57 -8.515 21.881 6.632 1.00 0.00 C ATOM 919 C ASN A 57 -7.608 21.928 5.382 1.00 0.00 C ATOM 920 O ASN A 57 -6.482 21.427 5.400 1.00 0.00 O ATOM 921 CB ASN A 57 -9.222 20.533 6.897 1.00 0.00 C ATOM 922 CG ASN A 57 -9.379 19.638 5.674 1.00 0.00 C ATOM 923 OD1 ASN A 57 -8.710 18.626 5.519 1.00 0.00 O ATOM 924 ND2 ASN A 57 -10.264 19.968 4.765 1.00 0.00 N ATOM 0 H ASN A 57 -9.250 23.566 7.562 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.785 21.995 7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.662 19.989 7.657 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.210 20.733 7.312 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.389 19.383 3.939 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.828 20.810 4.884 1.00 0.00 H new ATOM 931 N SER A 58 -8.073 22.594 4.327 1.00 0.00 N ATOM 932 CA SER A 58 -7.406 22.769 3.031 1.00 0.00 C ATOM 933 C SER A 58 -8.151 23.807 2.182 1.00 0.00 C ATOM 934 O SER A 58 -9.275 24.202 2.508 1.00 0.00 O ATOM 935 CB SER A 58 -7.345 21.432 2.271 1.00 0.00 C ATOM 936 OG SER A 58 -8.640 20.922 1.998 1.00 0.00 O ATOM 0 H SER A 58 -8.982 23.056 4.352 1.00 0.00 H new ATOM 0 HA SER A 58 -6.391 23.120 3.216 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.804 21.570 1.335 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.784 20.705 2.859 1.00 0.00 H new ATOM 0 HG SER A 58 -8.562 20.074 1.514 1.00 0.00 H new ATOM 942 N GLY A 59 -7.542 24.254 1.083 1.00 0.00 N ATOM 943 CA GLY A 59 -8.190 25.183 0.154 1.00 0.00 C ATOM 944 C GLY A 59 -7.323 25.567 -1.040 1.00 0.00 C ATOM 945 O GLY A 59 -6.336 24.903 -1.348 1.00 0.00 O ATOM 0 H GLY A 59 -6.596 23.986 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.114 24.733 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.468 26.088 0.695 1.00 0.00 H new ATOM 949 N ILE A 60 -7.703 26.643 -1.727 1.00 0.00 N ATOM 950 CA ILE A 60 -6.947 27.244 -2.836 1.00 0.00 C ATOM 951 C ILE A 60 -6.897 28.772 -2.650 1.00 0.00 C ATOM 952 O ILE A 60 -7.892 29.368 -2.229 1.00 0.00 O ATOM 953 CB ILE A 60 -7.570 26.870 -4.204 1.00 0.00 C ATOM 954 CG1 ILE A 60 -8.133 25.428 -4.292 1.00 0.00 C ATOM 955 CG2 ILE A 60 -6.588 27.162 -5.356 1.00 0.00 C ATOM 956 CD1 ILE A 60 -8.709 25.040 -5.665 1.00 0.00 C ATOM 0 H ILE A 60 -8.571 27.139 -1.525 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.931 26.851 -2.827 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.443 27.515 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.338 24.727 -4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.914 25.312 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.050 26.891 -6.305 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.341 28.224 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.678 26.579 -5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.078 24.015 -5.628 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.529 25.712 -5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.929 25.118 -6.422 1.00 0.00 H new ATOM 968 N ILE A 61 -5.775 29.415 -2.992 1.00 0.00 N ATOM 969 CA ILE A 61 -5.641 30.881 -3.058 1.00 0.00 C ATOM 970 C ILE A 61 -5.373 31.325 -4.499 1.00 0.00 C ATOM 971 O ILE A 61 -4.525 30.761 -5.188 1.00 0.00 O ATOM 972 CB ILE A 61 -4.575 31.423 -2.079 1.00 0.00 C ATOM 973 CG1 ILE A 61 -4.750 30.761 -0.697 1.00 0.00 C ATOM 974 CG2 ILE A 61 -4.678 32.959 -1.995 1.00 0.00 C ATOM 975 CD1 ILE A 61 -3.977 31.417 0.444 1.00 0.00 C ATOM 0 H ILE A 61 -4.915 28.924 -3.236 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.588 31.315 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.578 31.175 -2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.810 30.763 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.441 29.718 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.925 33.337 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.513 33.389 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.670 33.238 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.168 30.876 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.910 31.392 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.300 32.452 0.554 1.00 0.00 H new ATOM 987 N ASP A 62 -6.081 32.361 -4.935 1.00 0.00 N ATOM 988 CA ASP A 62 -5.969 32.964 -6.271 1.00 0.00 C ATOM 989 C ASP A 62 -4.853 34.034 -6.356 1.00 0.00 C ATOM 990 O ASP A 62 -4.292 34.416 -5.322 1.00 0.00 O ATOM 991 CB ASP A 62 -7.361 33.479 -6.687 1.00 0.00 C ATOM 992 CG ASP A 62 -8.186 32.370 -7.361 1.00 0.00 C ATOM 993 OD1 ASP A 62 -7.797 31.921 -8.469 1.00 0.00 O ATOM 994 OD2 ASP A 62 -9.227 31.956 -6.796 1.00 0.00 O ATOM 0 H ASP A 62 -6.776 32.826 -4.351 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.651 32.208 -6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.892 33.849 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.251 34.321 -7.371 1.00 0.00 H new ATOM 999 N PRO A 63 -4.473 34.518 -7.558 1.00 0.00 N ATOM 1000 CA PRO A 63 -3.404 35.508 -7.711 1.00 0.00 C ATOM 1001 C PRO A 63 -3.672 36.784 -6.901 1.00 0.00 C ATOM 1002 O PRO A 63 -4.772 37.344 -6.964 1.00 0.00 O ATOM 1003 CB PRO A 63 -3.329 35.813 -9.212 1.00 0.00 C ATOM 1004 CG PRO A 63 -3.951 34.594 -9.883 1.00 0.00 C ATOM 1005 CD PRO A 63 -4.993 34.140 -8.867 1.00 0.00 C ATOM 0 HA PRO A 63 -2.461 35.117 -7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.875 36.723 -9.459 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.299 35.961 -9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.405 34.848 -10.841 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.211 33.818 -10.077 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.955 34.616 -9.056 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.153 33.063 -8.927 1.00 0.00 H new ATOM 1013 N GLY A 64 -2.695 37.240 -6.106 1.00 0.00 N ATOM 1014 CA GLY A 64 -2.803 38.479 -5.319 1.00 0.00 C ATOM 1015 C GLY A 64 -3.848 38.440 -4.204 1.00 0.00 C ATOM 1016 O GLY A 64 -4.149 39.477 -3.611 1.00 0.00 O ATOM 0 H GLY A 64 -1.803 36.759 -5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.830 38.699 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.042 39.302 -5.993 1.00 0.00 H new ATOM 1020 N SER A 65 -4.420 37.261 -3.936 1.00 0.00 N ATOM 1021 CA SER A 65 -5.574 37.088 -3.051 1.00 0.00 C ATOM 1022 C SER A 65 -5.164 36.552 -1.676 1.00 0.00 C ATOM 1023 O SER A 65 -4.044 36.069 -1.500 1.00 0.00 O ATOM 1024 CB SER A 65 -6.620 36.192 -3.733 1.00 0.00 C ATOM 1025 OG SER A 65 -6.993 36.728 -4.994 1.00 0.00 O ATOM 0 H SER A 65 -4.086 36.384 -4.337 1.00 0.00 H new ATOM 0 HA SER A 65 -6.023 38.065 -2.871 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.216 35.188 -3.864 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.500 36.101 -3.096 1.00 0.00 H new ATOM 0 HG SER A 65 -6.208 36.764 -5.579 1.00 0.00 H new ATOM 1031 N THR A 66 -6.067 36.643 -0.693 1.00 0.00 N ATOM 1032 CA THR A 66 -5.807 36.253 0.708 1.00 0.00 C ATOM 1033 C THR A 66 -6.929 35.375 1.274 1.00 0.00 C ATOM 1034 O THR A 66 -8.108 35.627 1.013 1.00 0.00 O ATOM 1035 CB THR A 66 -5.607 37.492 1.606 1.00 0.00 C ATOM 1036 OG1 THR A 66 -4.736 38.425 1.005 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.997 37.174 2.975 1.00 0.00 C ATOM 0 H THR A 66 -7.013 36.993 -0.844 1.00 0.00 H new ATOM 0 HA THR A 66 -4.887 35.669 0.705 1.00 0.00 H new ATOM 0 HB THR A 66 -6.614 37.889 1.736 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.629 39.200 1.595 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.888 38.095 3.547 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.650 36.487 3.514 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.019 36.713 2.839 1.00 0.00 H new ATOM 1045 N VAL A 67 -6.572 34.370 2.082 1.00 0.00 N ATOM 1046 CA VAL A 67 -7.497 33.498 2.839 1.00 0.00 C ATOM 1047 C VAL A 67 -7.068 33.463 4.310 1.00 0.00 C ATOM 1048 O VAL A 67 -5.876 33.415 4.602 1.00 0.00 O ATOM 1049 CB VAL A 67 -7.536 32.072 2.238 1.00 0.00 C ATOM 1050 CG1 VAL A 67 -8.444 31.114 3.027 1.00 0.00 C ATOM 1051 CG2 VAL A 67 -8.049 32.097 0.792 1.00 0.00 C ATOM 0 H VAL A 67 -5.594 34.127 2.237 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.506 33.905 2.770 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.508 31.713 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.430 30.130 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.083 31.032 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.463 31.500 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.066 31.082 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.057 32.512 0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.389 32.714 0.182 1.00 0.00 H new ATOM 1061 N THR A 68 -8.020 33.467 5.246 1.00 0.00 N ATOM 1062 CA THR A 68 -7.759 33.331 6.682 1.00 0.00 C ATOM 1063 C THR A 68 -8.240 31.961 7.171 1.00 0.00 C ATOM 1064 O THR A 68 -9.407 31.604 7.019 1.00 0.00 O ATOM 1065 CB THR A 68 -8.393 34.476 7.485 1.00 0.00 C ATOM 1066 OG1 THR A 68 -8.193 35.728 6.860 1.00 0.00 O ATOM 1067 CG2 THR A 68 -7.709 34.571 8.833 1.00 0.00 C ATOM 0 H THR A 68 -9.011 33.566 5.024 1.00 0.00 H new ATOM 0 HA THR A 68 -6.683 33.397 6.845 1.00 0.00 H new ATOM 0 HB THR A 68 -9.459 34.261 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.853 36.370 7.196 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.153 35.382 9.410 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.834 33.632 9.371 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.647 34.768 8.689 1.00 0.00 H new ATOM 1075 N VAL A 69 -7.322 31.196 7.760 1.00 0.00 N ATOM 1076 CA VAL A 69 -7.525 29.836 8.281 1.00 0.00 C ATOM 1077 C VAL A 69 -7.740 29.904 9.793 1.00 0.00 C ATOM 1078 O VAL A 69 -6.869 30.380 10.518 1.00 0.00 O ATOM 1079 CB VAL A 69 -6.303 28.959 7.928 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.334 27.582 8.600 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -6.207 28.742 6.412 1.00 0.00 C ATOM 0 H VAL A 69 -6.365 31.521 7.896 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.408 29.386 7.826 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.436 29.506 8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.448 27.016 8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.348 27.706 9.683 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.228 27.043 8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.339 28.122 6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.110 28.245 6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.104 29.705 5.912 1.00 0.00 H new ATOM 1091 N SER A 70 -8.878 29.411 10.282 1.00 0.00 N ATOM 1092 CA SER A 70 -9.153 29.300 11.723 1.00 0.00 C ATOM 1093 C SER A 70 -8.593 27.995 12.284 1.00 0.00 C ATOM 1094 O SER A 70 -8.938 26.910 11.813 1.00 0.00 O ATOM 1095 CB SER A 70 -10.657 29.401 12.012 1.00 0.00 C ATOM 1096 OG SER A 70 -11.160 30.654 11.585 1.00 0.00 O ATOM 0 H SER A 70 -9.640 29.075 9.692 1.00 0.00 H new ATOM 0 HA SER A 70 -8.655 30.134 12.218 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.186 28.597 11.501 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.838 29.274 13.079 1.00 0.00 H new ATOM 0 HG SER A 70 -10.616 31.373 11.969 1.00 0.00 H new ATOM 1102 N VAL A 71 -7.756 28.109 13.313 1.00 0.00 N ATOM 1103 CA VAL A 71 -7.263 26.998 14.133 1.00 0.00 C ATOM 1104 C VAL A 71 -8.007 27.021 15.463 1.00 0.00 C ATOM 1105 O VAL A 71 -8.106 28.071 16.093 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.740 27.087 14.359 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -5.240 25.926 15.228 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -4.976 27.057 13.028 1.00 0.00 C ATOM 0 H VAL A 71 -7.387 29.012 13.612 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.448 26.058 13.613 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.554 28.034 14.866 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.163 26.015 15.370 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.738 25.956 16.197 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.464 24.980 14.735 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.905 27.121 13.222 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.195 26.127 12.504 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.285 27.902 12.412 1.00 0.00 H new ATOM 1118 N MET A 72 -8.505 25.868 15.901 1.00 0.00 N ATOM 1119 CA MET A 72 -9.216 25.680 17.165 1.00 0.00 C ATOM 1120 C MET A 72 -8.442 24.679 18.029 1.00 0.00 C ATOM 1121 O MET A 72 -8.499 23.465 17.818 1.00 0.00 O ATOM 1122 CB MET A 72 -10.665 25.253 16.886 1.00 0.00 C ATOM 1123 CG MET A 72 -11.486 26.348 16.187 1.00 0.00 C ATOM 1124 SD MET A 72 -11.421 26.330 14.369 1.00 0.00 S ATOM 1125 CE MET A 72 -12.393 24.832 14.022 1.00 0.00 C ATOM 0 H MET A 72 -8.422 25.004 15.365 1.00 0.00 H new ATOM 0 HA MET A 72 -9.272 26.613 17.725 1.00 0.00 H new ATOM 0 HB2 MET A 72 -10.661 24.357 16.266 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.148 24.988 17.826 1.00 0.00 H new ATOM 0 HG2 MET A 72 -12.526 26.253 16.498 1.00 0.00 H new ATOM 0 HG3 MET A 72 -11.137 27.320 16.537 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.834 24.184 13.347 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.589 24.302 14.954 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.339 25.111 13.557 1.00 0.00 H new ATOM 1135 N LEU A 73 -7.709 25.205 19.006 1.00 0.00 N ATOM 1136 CA LEU A 73 -6.819 24.473 19.909 1.00 0.00 C ATOM 1137 C LEU A 73 -7.597 24.132 21.180 1.00 0.00 C ATOM 1138 O LEU A 73 -8.177 25.000 21.830 1.00 0.00 O ATOM 1139 CB LEU A 73 -5.567 25.335 20.115 1.00 0.00 C ATOM 1140 CG LEU A 73 -4.535 24.939 21.191 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -4.779 25.682 22.502 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -4.375 23.452 21.504 1.00 0.00 C ATOM 0 H LEU A 73 -7.719 26.206 19.201 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.477 23.518 19.512 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.042 25.380 19.161 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.902 26.347 20.342 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.599 25.236 20.718 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.033 25.378 23.237 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.703 26.756 22.331 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.775 25.443 22.876 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.618 23.322 22.277 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.325 23.050 21.856 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.068 22.921 20.603 1.00 0.00 H new ATOM 1154 N GLN A 74 -7.665 22.840 21.481 1.00 0.00 N ATOM 1155 CA GLN A 74 -8.527 22.272 22.521 1.00 0.00 C ATOM 1156 C GLN A 74 -7.977 22.523 23.948 1.00 0.00 C ATOM 1157 O GLN A 74 -6.759 22.625 24.125 1.00 0.00 O ATOM 1158 CB GLN A 74 -8.755 20.773 22.236 1.00 0.00 C ATOM 1159 CG GLN A 74 -9.330 20.456 20.838 1.00 0.00 C ATOM 1160 CD GLN A 74 -10.627 21.194 20.519 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -11.659 20.980 21.138 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -10.627 22.100 19.558 1.00 0.00 N ATOM 0 H GLN A 74 -7.108 22.136 20.997 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.489 22.783 22.489 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.806 20.248 22.350 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.433 20.374 22.991 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.585 20.709 20.084 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.507 19.383 20.764 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.772 22.288 19.034 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.482 22.612 19.340 1.00 0.00 H new ATOM 1171 N PRO A 75 -8.846 22.624 24.976 1.00 0.00 N ATOM 1172 CA PRO A 75 -8.437 22.978 26.340 1.00 0.00 C ATOM 1173 C PRO A 75 -7.447 21.996 26.989 1.00 0.00 C ATOM 1174 O PRO A 75 -7.501 20.787 26.736 1.00 0.00 O ATOM 1175 CB PRO A 75 -9.732 23.082 27.150 1.00 0.00 C ATOM 1176 CG PRO A 75 -10.789 22.350 26.331 1.00 0.00 C ATOM 1177 CD PRO A 75 -10.298 22.513 24.897 1.00 0.00 C ATOM 0 HA PRO A 75 -7.882 23.916 26.315 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.616 22.629 28.134 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.012 24.123 27.310 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.861 21.300 26.614 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.778 22.786 26.469 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.591 21.659 24.286 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.732 23.400 24.435 1.00 0.00 H new ATOM 1185 N PHE A 76 -6.569 22.514 27.862 1.00 0.00 N ATOM 1186 CA PHE A 76 -5.622 21.711 28.654 1.00 0.00 C ATOM 1187 C PHE A 76 -5.169 22.399 29.959 1.00 0.00 C ATOM 1188 O PHE A 76 -5.411 23.586 30.189 1.00 0.00 O ATOM 1189 CB PHE A 76 -4.404 21.302 27.797 1.00 0.00 C ATOM 1190 CG PHE A 76 -3.442 22.416 27.422 1.00 0.00 C ATOM 1191 CD1 PHE A 76 -3.659 23.176 26.259 1.00 0.00 C ATOM 1192 CD2 PHE A 76 -2.302 22.663 28.213 1.00 0.00 C ATOM 1193 CE1 PHE A 76 -2.743 24.177 25.892 1.00 0.00 C ATOM 1194 CE2 PHE A 76 -1.388 23.669 27.846 1.00 0.00 C ATOM 1195 CZ PHE A 76 -1.611 24.426 26.683 1.00 0.00 C ATOM 0 H PHE A 76 -6.495 23.516 28.041 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.164 20.815 28.959 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.847 20.536 28.337 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.770 20.842 26.879 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.530 22.991 25.648 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.129 22.078 29.104 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.911 24.757 24.997 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.518 23.859 28.457 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.912 25.198 26.398 1.00 0.00 H new ATOM 1205 N ASP A 77 -4.496 21.638 30.829 1.00 0.00 N ATOM 1206 CA ASP A 77 -4.002 22.095 32.137 1.00 0.00 C ATOM 1207 C ASP A 77 -2.683 22.888 32.008 1.00 0.00 C ATOM 1208 O ASP A 77 -1.589 22.384 32.284 1.00 0.00 O ATOM 1209 CB ASP A 77 -3.897 20.889 33.085 1.00 0.00 C ATOM 1210 CG ASP A 77 -3.469 21.292 34.507 1.00 0.00 C ATOM 1211 OD1 ASP A 77 -3.948 22.335 35.017 1.00 0.00 O ATOM 1212 OD2 ASP A 77 -2.686 20.543 35.141 1.00 0.00 O ATOM 0 H ASP A 77 -4.273 20.661 30.640 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.713 22.800 32.569 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.860 20.381 33.129 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.179 20.175 32.681 1.00 0.00 H new ATOM 1217 N TYR A 78 -2.790 24.132 31.533 1.00 0.00 N ATOM 1218 CA TYR A 78 -1.661 25.029 31.266 1.00 0.00 C ATOM 1219 C TYR A 78 -0.846 25.406 32.516 1.00 0.00 C ATOM 1220 O TYR A 78 -1.396 25.673 33.589 1.00 0.00 O ATOM 1221 CB TYR A 78 -2.185 26.291 30.571 1.00 0.00 C ATOM 1222 CG TYR A 78 -1.150 27.387 30.369 1.00 0.00 C ATOM 1223 CD1 TYR A 78 -0.255 27.317 29.286 1.00 0.00 C ATOM 1224 CD2 TYR A 78 -1.074 28.468 31.273 1.00 0.00 C ATOM 1225 CE1 TYR A 78 0.684 28.345 29.083 1.00 0.00 C ATOM 1226 CE2 TYR A 78 -0.133 29.496 31.069 1.00 0.00 C ATOM 1227 CZ TYR A 78 0.726 29.455 29.950 1.00 0.00 C ATOM 1228 OH TYR A 78 1.577 30.485 29.691 1.00 0.00 O ATOM 0 H TYR A 78 -3.692 24.556 31.317 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.969 24.486 30.623 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.591 26.011 29.599 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.011 26.695 31.157 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.289 26.475 28.611 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.739 28.507 32.123 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.377 28.283 28.257 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.069 30.316 31.769 1.00 0.00 H new ATOM 0 HH TYR A 78 1.771 30.516 28.731 1.00 0.00 H new ATOM 1238 N ASP A 79 0.480 25.466 32.351 1.00 0.00 N ATOM 1239 CA ASP A 79 1.434 26.005 33.323 1.00 0.00 C ATOM 1240 C ASP A 79 2.312 27.089 32.654 1.00 0.00 C ATOM 1241 O ASP A 79 2.908 26.798 31.609 1.00 0.00 O ATOM 1242 CB ASP A 79 2.304 24.872 33.886 1.00 0.00 C ATOM 1243 CG ASP A 79 2.935 25.262 35.228 1.00 0.00 C ATOM 1244 OD1 ASP A 79 3.721 26.234 35.249 1.00 0.00 O ATOM 1245 OD2 ASP A 79 2.642 24.603 36.255 1.00 0.00 O ATOM 0 H ASP A 79 0.934 25.127 31.503 1.00 0.00 H new ATOM 0 HA ASP A 79 0.888 26.463 34.148 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.697 23.976 34.015 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.089 24.625 33.171 1.00 0.00 H new ATOM 1250 N PRO A 80 2.469 28.301 33.223 1.00 0.00 N ATOM 1251 CA PRO A 80 3.332 29.336 32.651 1.00 0.00 C ATOM 1252 C PRO A 80 4.828 28.975 32.711 1.00 0.00 C ATOM 1253 O PRO A 80 5.642 29.611 32.034 1.00 0.00 O ATOM 1254 CB PRO A 80 3.008 30.611 33.435 1.00 0.00 C ATOM 1255 CG PRO A 80 2.568 30.085 34.800 1.00 0.00 C ATOM 1256 CD PRO A 80 1.855 28.779 34.450 1.00 0.00 C ATOM 0 HA PRO A 80 3.139 29.459 31.585 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.877 31.264 33.517 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.219 31.189 32.954 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.418 29.916 35.461 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.904 30.784 35.307 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.965 28.048 35.251 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.786 28.943 34.313 1.00 0.00 H new ATOM 1264 N ASN A 81 5.197 27.950 33.489 1.00 0.00 N ATOM 1265 CA ASN A 81 6.555 27.397 33.555 1.00 0.00 C ATOM 1266 C ASN A 81 6.792 26.242 32.555 1.00 0.00 C ATOM 1267 O ASN A 81 7.948 25.877 32.323 1.00 0.00 O ATOM 1268 CB ASN A 81 6.876 26.941 34.993 1.00 0.00 C ATOM 1269 CG ASN A 81 6.597 27.994 36.054 1.00 0.00 C ATOM 1270 OD1 ASN A 81 7.444 28.806 36.403 1.00 0.00 O ATOM 1271 ND2 ASN A 81 5.402 28.005 36.598 1.00 0.00 N ATOM 0 H ASN A 81 4.542 27.470 34.106 1.00 0.00 H new ATOM 0 HA ASN A 81 7.234 28.199 33.265 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.292 26.049 35.219 1.00 0.00 H new ATOM 0 HB3 ASN A 81 7.927 26.656 35.047 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.175 28.693 37.316 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.701 27.326 36.303 1.00 0.00 H new ATOM 1278 N GLU A 82 5.739 25.654 31.969 1.00 0.00 N ATOM 1279 CA GLU A 82 5.847 24.566 30.982 1.00 0.00 C ATOM 1280 C GLU A 82 6.254 25.072 29.578 1.00 0.00 C ATOM 1281 O GLU A 82 5.886 26.174 29.157 1.00 0.00 O ATOM 1282 CB GLU A 82 4.534 23.761 30.957 1.00 0.00 C ATOM 1283 CG GLU A 82 4.619 22.484 30.123 1.00 0.00 C ATOM 1284 CD GLU A 82 3.271 21.740 30.064 1.00 0.00 C ATOM 1285 OE1 GLU A 82 2.949 20.987 31.015 1.00 0.00 O ATOM 1286 OE2 GLU A 82 2.542 21.888 29.049 1.00 0.00 O ATOM 0 H GLU A 82 4.776 25.923 32.169 1.00 0.00 H new ATOM 0 HA GLU A 82 6.655 23.903 31.292 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.257 23.501 31.979 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.738 24.392 30.562 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.940 22.733 29.111 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.378 21.825 30.545 1.00 0.00 H new ATOM 1293 N LYS A 83 7.029 24.252 28.849 1.00 0.00 N ATOM 1294 CA LYS A 83 7.577 24.547 27.510 1.00 0.00 C ATOM 1295 C LYS A 83 6.685 23.957 26.408 1.00 0.00 C ATOM 1296 O LYS A 83 5.928 23.013 26.646 1.00 0.00 O ATOM 1297 CB LYS A 83 9.029 24.026 27.402 1.00 0.00 C ATOM 1298 CG LYS A 83 10.085 24.819 28.200 1.00 0.00 C ATOM 1299 CD LYS A 83 9.884 24.789 29.723 1.00 0.00 C ATOM 1300 CE LYS A 83 11.065 25.419 30.469 1.00 0.00 C ATOM 1301 NZ LYS A 83 10.833 25.399 31.940 1.00 0.00 N ATOM 0 H LYS A 83 7.303 23.329 29.187 1.00 0.00 H new ATOM 0 HA LYS A 83 7.592 25.628 27.370 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.050 22.989 27.738 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.319 24.026 26.351 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.073 24.420 27.968 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.073 25.856 27.865 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.968 25.321 29.979 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.756 23.758 30.052 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.981 24.877 30.233 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.207 26.446 30.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.394 26.150 32.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.824 25.557 32.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.119 24.476 32.324 1.00 0.00 H new ATOM 1315 N SER A 84 6.773 24.498 25.190 1.00 0.00 N ATOM 1316 CA SER A 84 5.957 24.025 24.060 1.00 0.00 C ATOM 1317 C SER A 84 6.339 22.611 23.590 1.00 0.00 C ATOM 1318 O SER A 84 7.487 22.173 23.732 1.00 0.00 O ATOM 1319 CB SER A 84 5.981 25.016 22.895 1.00 0.00 C ATOM 1320 OG SER A 84 5.015 24.611 21.946 1.00 0.00 O ATOM 0 H SER A 84 7.402 25.266 24.957 1.00 0.00 H new ATOM 0 HA SER A 84 4.935 23.963 24.434 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.765 26.024 23.250 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.971 25.043 22.440 1.00 0.00 H new ATOM 0 HG SER A 84 4.691 25.394 21.455 1.00 0.00 H new ATOM 1326 N LYS A 85 5.349 21.900 23.034 1.00 0.00 N ATOM 1327 CA LYS A 85 5.408 20.481 22.638 1.00 0.00 C ATOM 1328 C LYS A 85 4.694 20.161 21.310 1.00 0.00 C ATOM 1329 O LYS A 85 4.566 18.991 20.948 1.00 0.00 O ATOM 1330 CB LYS A 85 4.909 19.601 23.808 1.00 0.00 C ATOM 1331 CG LYS A 85 3.424 19.765 24.199 1.00 0.00 C ATOM 1332 CD LYS A 85 3.145 20.880 25.225 1.00 0.00 C ATOM 1333 CE LYS A 85 1.646 20.918 25.556 1.00 0.00 C ATOM 1334 NZ LYS A 85 1.323 21.975 26.552 1.00 0.00 N ATOM 0 H LYS A 85 4.439 22.317 22.837 1.00 0.00 H new ATOM 0 HA LYS A 85 6.452 20.246 22.431 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.082 18.556 23.549 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.520 19.817 24.684 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.846 19.967 23.297 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.063 18.820 24.604 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.723 20.705 26.132 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.463 21.843 24.825 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.077 21.094 24.643 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.335 19.948 25.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.291 22.082 26.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.707 21.706 27.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.745 22.876 26.251 1.00 0.00 H new ATOM 1348 N HIS A 86 4.221 21.184 20.583 1.00 0.00 N ATOM 1349 CA HIS A 86 3.348 21.045 19.403 1.00 0.00 C ATOM 1350 C HIS A 86 3.787 21.924 18.224 1.00 0.00 C ATOM 1351 O HIS A 86 4.329 23.017 18.419 1.00 0.00 O ATOM 1352 CB HIS A 86 1.902 21.391 19.788 1.00 0.00 C ATOM 1353 CG HIS A 86 1.256 20.487 20.809 1.00 0.00 C ATOM 1354 ND1 HIS A 86 0.419 20.927 21.837 1.00 0.00 N ATOM 1355 CD2 HIS A 86 1.284 19.123 20.818 1.00 0.00 C ATOM 1356 CE1 HIS A 86 -0.032 19.819 22.448 1.00 0.00 C ATOM 1357 NE2 HIS A 86 0.476 18.722 21.861 1.00 0.00 N ATOM 0 H HIS A 86 4.439 22.156 20.803 1.00 0.00 H new ATOM 0 HA HIS A 86 3.422 20.008 19.074 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.883 22.411 20.171 1.00 0.00 H new ATOM 0 HB3 HIS A 86 1.293 21.379 18.884 1.00 0.00 H new ATOM 0 HD2 HIS A 86 1.831 18.483 20.141 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.707 19.811 23.291 1.00 0.00 H new ATOM 0 HE2 HIS A 86 0.295 17.758 22.139 1.00 0.00 H new ATOM 1365 N LYS A 87 3.520 21.452 16.998 1.00 0.00 N ATOM 1366 CA LYS A 87 3.847 22.140 15.735 1.00 0.00 C ATOM 1367 C LYS A 87 2.720 22.036 14.696 1.00 0.00 C ATOM 1368 O LYS A 87 1.905 21.114 14.712 1.00 0.00 O ATOM 1369 CB LYS A 87 5.178 21.626 15.142 1.00 0.00 C ATOM 1370 CG LYS A 87 6.387 21.784 16.081 1.00 0.00 C ATOM 1371 CD LYS A 87 7.722 21.530 15.354 1.00 0.00 C ATOM 1372 CE LYS A 87 8.882 21.476 16.362 1.00 0.00 C ATOM 1373 NZ LYS A 87 10.170 21.089 15.717 1.00 0.00 N ATOM 0 H LYS A 87 3.057 20.555 16.850 1.00 0.00 H new ATOM 0 HA LYS A 87 3.961 23.195 15.983 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.066 20.573 14.885 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.380 22.160 14.214 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.390 22.789 16.502 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.291 21.089 16.915 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.669 20.592 14.801 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.902 22.320 14.625 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.994 22.450 16.837 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.643 20.762 17.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.924 21.065 16.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.073 20.148 15.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.413 21.784 14.982 1.00 0.00 H new ATOM 1387 N PHE A 88 2.752 22.964 13.744 1.00 0.00 N ATOM 1388 CA PHE A 88 1.956 23.008 12.518 1.00 0.00 C ATOM 1389 C PHE A 88 2.867 22.968 11.288 1.00 0.00 C ATOM 1390 O PHE A 88 3.997 23.453 11.319 1.00 0.00 O ATOM 1391 CB PHE A 88 1.099 24.279 12.494 1.00 0.00 C ATOM 1392 CG PHE A 88 -0.214 24.117 13.219 1.00 0.00 C ATOM 1393 CD1 PHE A 88 -1.311 23.553 12.540 1.00 0.00 C ATOM 1394 CD2 PHE A 88 -0.336 24.502 14.565 1.00 0.00 C ATOM 1395 CE1 PHE A 88 -2.533 23.374 13.207 1.00 0.00 C ATOM 1396 CE2 PHE A 88 -1.559 24.321 15.231 1.00 0.00 C ATOM 1397 CZ PHE A 88 -2.652 23.758 14.551 1.00 0.00 C ATOM 0 H PHE A 88 3.381 23.764 13.813 1.00 0.00 H new ATOM 0 HA PHE A 88 1.302 22.137 12.496 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.659 25.097 12.946 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.904 24.560 11.459 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.212 23.258 11.506 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.506 24.935 15.084 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.377 22.943 12.689 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.659 24.614 16.266 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.591 23.620 15.067 1.00 0.00 H new ATOM 1407 N MET A 89 2.346 22.438 10.183 1.00 0.00 N ATOM 1408 CA MET A 89 2.991 22.493 8.871 1.00 0.00 C ATOM 1409 C MET A 89 1.936 22.783 7.798 1.00 0.00 C ATOM 1410 O MET A 89 0.862 22.186 7.803 1.00 0.00 O ATOM 1411 CB MET A 89 3.781 21.191 8.644 1.00 0.00 C ATOM 1412 CG MET A 89 4.674 21.211 7.397 1.00 0.00 C ATOM 1413 SD MET A 89 3.851 20.960 5.797 1.00 0.00 S ATOM 1414 CE MET A 89 3.382 19.214 5.926 1.00 0.00 C ATOM 0 H MET A 89 1.450 21.951 10.173 1.00 0.00 H new ATOM 0 HA MET A 89 3.714 23.307 8.813 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.401 20.998 9.519 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.078 20.362 8.562 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.193 22.169 7.366 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.436 20.440 7.512 1.00 0.00 H new ATOM 0 HE1 MET A 89 3.027 18.860 4.958 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.248 18.626 6.232 1.00 0.00 H new ATOM 0 HE3 MET A 89 2.589 19.104 6.666 1.00 0.00 H new ATOM 1424 N VAL A 90 2.228 23.716 6.891 1.00 0.00 N ATOM 1425 CA VAL A 90 1.365 24.075 5.756 1.00 0.00 C ATOM 1426 C VAL A 90 2.083 23.694 4.464 1.00 0.00 C ATOM 1427 O VAL A 90 3.167 24.212 4.197 1.00 0.00 O ATOM 1428 CB VAL A 90 0.988 25.573 5.775 1.00 0.00 C ATOM 1429 CG1 VAL A 90 0.023 25.926 4.636 1.00 0.00 C ATOM 1430 CG2 VAL A 90 0.316 25.972 7.097 1.00 0.00 C ATOM 0 H VAL A 90 3.091 24.258 6.923 1.00 0.00 H new ATOM 0 HA VAL A 90 0.426 23.526 5.828 1.00 0.00 H new ATOM 0 HB VAL A 90 1.924 26.119 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.220 26.988 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.493 25.702 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.890 25.340 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.066 27.033 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.594 25.387 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.999 25.780 7.925 1.00 0.00 H new ATOM 1440 N GLN A 91 1.488 22.805 3.664 1.00 0.00 N ATOM 1441 CA GLN A 91 2.006 22.374 2.363 1.00 0.00 C ATOM 1442 C GLN A 91 1.193 23.019 1.236 1.00 0.00 C ATOM 1443 O GLN A 91 -0.018 23.196 1.352 1.00 0.00 O ATOM 1444 CB GLN A 91 2.000 20.839 2.277 1.00 0.00 C ATOM 1445 CG GLN A 91 2.858 20.317 1.111 1.00 0.00 C ATOM 1446 CD GLN A 91 2.813 18.795 1.019 1.00 0.00 C ATOM 1447 OE1 GLN A 91 3.630 18.080 1.588 1.00 0.00 O ATOM 1448 NE2 GLN A 91 1.849 18.243 0.312 1.00 0.00 N ATOM 0 H GLN A 91 0.608 22.353 3.911 1.00 0.00 H new ATOM 0 HA GLN A 91 3.039 22.703 2.251 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.372 20.423 3.214 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.975 20.488 2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.503 20.749 0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.889 20.644 1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.165 18.831 -0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.786 17.227 0.241 1.00 0.00 H new ATOM 1457 N THR A 92 1.852 23.367 0.137 1.00 0.00 N ATOM 1458 CA THR A 92 1.291 24.142 -0.980 1.00 0.00 C ATOM 1459 C THR A 92 1.840 23.692 -2.330 1.00 0.00 C ATOM 1460 O THR A 92 2.998 23.283 -2.424 1.00 0.00 O ATOM 1461 CB THR A 92 1.536 25.649 -0.806 1.00 0.00 C ATOM 1462 OG1 THR A 92 2.829 25.944 -0.314 1.00 0.00 O ATOM 1463 CG2 THR A 92 0.506 26.261 0.141 1.00 0.00 C ATOM 0 H THR A 92 2.828 23.111 -0.013 1.00 0.00 H new ATOM 0 HA THR A 92 0.218 23.953 -0.965 1.00 0.00 H new ATOM 0 HB THR A 92 1.443 26.082 -1.802 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.376 25.131 -0.322 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.700 27.328 0.249 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.495 26.113 -0.265 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.577 25.779 1.116 1.00 0.00 H new ATOM 1471 N ILE A 93 1.017 23.774 -3.380 1.00 0.00 N ATOM 1472 CA ILE A 93 1.432 23.455 -4.760 1.00 0.00 C ATOM 1473 C ILE A 93 0.656 24.279 -5.799 1.00 0.00 C ATOM 1474 O ILE A 93 -0.534 24.544 -5.622 1.00 0.00 O ATOM 1475 CB ILE A 93 1.331 21.928 -4.985 1.00 0.00 C ATOM 1476 CG1 ILE A 93 2.298 21.419 -6.078 1.00 0.00 C ATOM 1477 CG2 ILE A 93 -0.116 21.432 -5.143 1.00 0.00 C ATOM 1478 CD1 ILE A 93 1.706 21.196 -7.468 1.00 0.00 C ATOM 0 H ILE A 93 0.042 24.063 -3.303 1.00 0.00 H new ATOM 0 HA ILE A 93 2.474 23.742 -4.899 1.00 0.00 H new ATOM 0 HB ILE A 93 1.678 21.462 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.117 22.133 -6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.731 20.478 -5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.116 20.353 -5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.682 21.669 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.577 21.922 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 93 2.485 20.840 -8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.909 20.454 -7.409 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.301 22.135 -7.846 1.00 0.00 H new ATOM 1490 N PHE A 94 1.322 24.729 -6.867 1.00 0.00 N ATOM 1491 CA PHE A 94 0.697 25.579 -7.892 1.00 0.00 C ATOM 1492 C PHE A 94 -0.428 24.844 -8.636 1.00 0.00 C ATOM 1493 O PHE A 94 -0.236 23.748 -9.165 1.00 0.00 O ATOM 1494 CB PHE A 94 1.741 26.113 -8.881 1.00 0.00 C ATOM 1495 CG PHE A 94 2.530 27.309 -8.381 1.00 0.00 C ATOM 1496 CD1 PHE A 94 1.872 28.535 -8.162 1.00 0.00 C ATOM 1497 CD2 PHE A 94 3.921 27.216 -8.182 1.00 0.00 C ATOM 1498 CE1 PHE A 94 2.602 29.667 -7.764 1.00 0.00 C ATOM 1499 CE2 PHE A 94 4.651 28.352 -7.791 1.00 0.00 C ATOM 1500 CZ PHE A 94 3.996 29.580 -7.596 1.00 0.00 C ATOM 0 H PHE A 94 2.303 24.518 -7.047 1.00 0.00 H new ATOM 0 HA PHE A 94 0.250 26.428 -7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.437 25.310 -9.123 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.237 26.388 -9.808 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.803 28.605 -8.301 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.426 26.273 -8.330 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.094 30.603 -7.587 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.718 28.281 -7.640 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.562 30.456 -7.317 1.00 0.00 H new ATOM 1510 N ALA A 95 -1.601 25.474 -8.693 1.00 0.00 N ATOM 1511 CA ALA A 95 -2.811 24.910 -9.290 1.00 0.00 C ATOM 1512 C ALA A 95 -3.042 25.427 -10.729 1.00 0.00 C ATOM 1513 O ALA A 95 -2.861 26.623 -10.984 1.00 0.00 O ATOM 1514 CB ALA A 95 -3.991 25.181 -8.350 1.00 0.00 C ATOM 0 H ALA A 95 -1.739 26.412 -8.317 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.701 23.831 -9.399 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.902 24.766 -8.781 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.801 24.714 -7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.110 26.256 -8.216 1.00 0.00 H new ATOM 1520 N PRO A 96 -3.451 24.560 -11.678 1.00 0.00 N ATOM 1521 CA PRO A 96 -3.695 24.957 -13.064 1.00 0.00 C ATOM 1522 C PRO A 96 -5.057 25.670 -13.226 1.00 0.00 C ATOM 1523 O PRO A 96 -5.973 25.447 -12.430 1.00 0.00 O ATOM 1524 CB PRO A 96 -3.607 23.651 -13.861 1.00 0.00 C ATOM 1525 CG PRO A 96 -4.143 22.610 -12.878 1.00 0.00 C ATOM 1526 CD PRO A 96 -3.666 23.124 -11.518 1.00 0.00 C ATOM 0 HA PRO A 96 -2.970 25.688 -13.421 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.206 23.693 -14.771 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.583 23.431 -14.163 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.230 22.539 -12.922 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.750 21.616 -13.092 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.408 22.925 -10.745 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -2.746 22.624 -11.214 1.00 0.00 H new ATOM 1599 N MET A 102 -9.475 19.822 -6.636 1.00 0.00 N ATOM 1600 CA MET A 102 -8.341 20.190 -5.779 1.00 0.00 C ATOM 1601 C MET A 102 -7.536 18.990 -5.275 1.00 0.00 C ATOM 1602 O MET A 102 -6.441 19.194 -4.766 1.00 0.00 O ATOM 1603 CB MET A 102 -8.783 21.080 -4.608 1.00 0.00 C ATOM 1604 CG MET A 102 -9.677 20.376 -3.576 1.00 0.00 C ATOM 1605 SD MET A 102 -10.238 21.442 -2.217 1.00 0.00 S ATOM 1606 CE MET A 102 -8.661 21.804 -1.391 1.00 0.00 C ATOM 0 HA MET A 102 -7.669 20.763 -6.418 1.00 0.00 H new ATOM 0 HB2 MET A 102 -7.896 21.460 -4.102 1.00 0.00 H new ATOM 0 HB3 MET A 102 -9.318 21.943 -5.005 1.00 0.00 H new ATOM 0 HG2 MET A 102 -10.550 19.970 -4.087 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.131 19.531 -3.157 1.00 0.00 H new ATOM 0 HE1 MET A 102 -8.855 22.267 -0.423 1.00 0.00 H new ATOM 0 HE2 MET A 102 -8.105 20.878 -1.245 1.00 0.00 H new ATOM 0 HE3 MET A 102 -8.075 22.485 -2.008 1.00 0.00 H new ATOM 1616 N GLU A 103 -8.027 17.753 -5.413 1.00 0.00 N ATOM 1617 CA GLU A 103 -7.257 16.547 -5.079 1.00 0.00 C ATOM 1618 C GLU A 103 -6.288 16.179 -6.212 1.00 0.00 C ATOM 1619 O GLU A 103 -5.162 15.751 -5.954 1.00 0.00 O ATOM 1620 CB GLU A 103 -8.212 15.384 -4.755 1.00 0.00 C ATOM 1621 CG GLU A 103 -7.478 14.183 -4.144 1.00 0.00 C ATOM 1622 CD GLU A 103 -8.462 13.058 -3.777 1.00 0.00 C ATOM 1623 OE1 GLU A 103 -9.084 13.120 -2.687 1.00 0.00 O ATOM 1624 OE2 GLU A 103 -8.608 12.091 -4.565 1.00 0.00 O ATOM 0 H GLU A 103 -8.967 17.559 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.655 16.752 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.980 15.729 -4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.722 15.071 -5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.739 13.807 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.935 14.500 -3.254 1.00 0.00 H new ATOM 1631 N ALA A 104 -6.682 16.407 -7.469 1.00 0.00 N ATOM 1632 CA ALA A 104 -5.928 15.982 -8.646 1.00 0.00 C ATOM 1633 C ALA A 104 -4.568 16.683 -8.757 1.00 0.00 C ATOM 1634 O ALA A 104 -3.589 16.052 -9.165 1.00 0.00 O ATOM 1635 CB ALA A 104 -6.770 16.243 -9.895 1.00 0.00 C ATOM 0 H ALA A 104 -7.546 16.899 -7.697 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.719 14.917 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.216 15.929 -10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.701 15.679 -9.831 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.995 17.307 -9.966 1.00 0.00 H new ATOM 1641 N VAL A 105 -4.475 17.953 -8.331 1.00 0.00 N ATOM 1642 CA VAL A 105 -3.203 18.687 -8.383 1.00 0.00 C ATOM 1643 C VAL A 105 -2.130 18.028 -7.507 1.00 0.00 C ATOM 1644 O VAL A 105 -0.969 17.971 -7.894 1.00 0.00 O ATOM 1645 CB VAL A 105 -3.365 20.184 -8.086 1.00 0.00 C ATOM 1646 CG1 VAL A 105 -3.617 20.505 -6.614 1.00 0.00 C ATOM 1647 CG2 VAL A 105 -2.117 20.947 -8.531 1.00 0.00 C ATOM 0 H VAL A 105 -5.257 18.487 -7.951 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.853 18.627 -9.414 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.248 20.495 -8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.720 21.583 -6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.532 20.013 -6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.779 20.149 -6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.243 22.008 -8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.248 20.568 -7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.969 20.809 -9.602 1.00 0.00 H new ATOM 1657 N TRP A 106 -2.508 17.442 -6.367 1.00 0.00 N ATOM 1658 CA TRP A 106 -1.591 16.713 -5.480 1.00 0.00 C ATOM 1659 C TRP A 106 -1.147 15.362 -6.053 1.00 0.00 C ATOM 1660 O TRP A 106 -0.054 14.886 -5.735 1.00 0.00 O ATOM 1661 CB TRP A 106 -2.289 16.505 -4.139 1.00 0.00 C ATOM 1662 CG TRP A 106 -2.681 17.778 -3.456 1.00 0.00 C ATOM 1663 CD1 TRP A 106 -3.935 18.263 -3.353 1.00 0.00 C ATOM 1664 CD2 TRP A 106 -1.822 18.788 -2.852 1.00 0.00 C ATOM 1665 NE1 TRP A 106 -3.919 19.486 -2.712 1.00 0.00 N ATOM 1666 CE2 TRP A 106 -2.639 19.848 -2.359 1.00 0.00 C ATOM 1667 CE3 TRP A 106 -0.428 18.927 -2.703 1.00 0.00 C ATOM 1668 CZ2 TRP A 106 -2.110 20.956 -1.688 1.00 0.00 C ATOM 1669 CZ3 TRP A 106 0.120 20.061 -2.080 1.00 0.00 C ATOM 1670 CH2 TRP A 106 -0.718 21.052 -1.535 1.00 0.00 C ATOM 0 H TRP A 106 -3.470 17.460 -6.029 1.00 0.00 H new ATOM 0 HA TRP A 106 -0.685 17.309 -5.367 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -3.181 15.898 -4.295 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -1.629 15.939 -3.481 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -4.822 17.767 -3.718 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -4.749 20.049 -2.524 1.00 0.00 H new ATOM 0 HE3 TRP A 106 0.228 18.152 -3.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -2.761 21.723 -1.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 1.192 20.173 -2.019 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -0.290 21.886 -0.999 1.00 0.00 H new ATOM 1681 N LYS A 107 -1.973 14.749 -6.913 1.00 0.00 N ATOM 1682 CA LYS A 107 -1.665 13.479 -7.592 1.00 0.00 C ATOM 1683 C LYS A 107 -0.729 13.670 -8.792 1.00 0.00 C ATOM 1684 O LYS A 107 0.085 12.792 -9.081 1.00 0.00 O ATOM 1685 CB LYS A 107 -2.974 12.779 -7.998 1.00 0.00 C ATOM 1686 CG LYS A 107 -3.948 12.507 -6.833 1.00 0.00 C ATOM 1687 CD LYS A 107 -3.376 11.596 -5.736 1.00 0.00 C ATOM 1688 CE LYS A 107 -4.374 11.501 -4.576 1.00 0.00 C ATOM 1689 NZ LYS A 107 -3.921 10.530 -3.541 1.00 0.00 N ATOM 0 H LYS A 107 -2.888 15.126 -7.161 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.126 12.841 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.482 13.392 -8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.730 11.831 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.237 13.458 -6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.855 12.053 -7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.177 10.604 -6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.425 11.992 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.501 12.484 -4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.349 11.198 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.620 10.491 -2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.824 9.587 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.002 10.833 -3.159 1.00 0.00 H new ATOM 1703 N GLU A 108 -0.801 14.825 -9.455 1.00 0.00 N ATOM 1704 CA GLU A 108 0.094 15.203 -10.565 1.00 0.00 C ATOM 1705 C GLU A 108 1.379 15.937 -10.130 1.00 0.00 C ATOM 1706 O GLU A 108 2.353 16.010 -10.882 1.00 0.00 O ATOM 1707 CB GLU A 108 -0.692 16.043 -11.577 1.00 0.00 C ATOM 1708 CG GLU A 108 -0.971 17.486 -11.174 1.00 0.00 C ATOM 1709 CD GLU A 108 -1.780 18.220 -12.261 1.00 0.00 C ATOM 1710 OE1 GLU A 108 -1.175 18.680 -13.261 1.00 0.00 O ATOM 1711 OE2 GLU A 108 -3.022 18.350 -12.125 1.00 0.00 O ATOM 0 H GLU A 108 -1.493 15.541 -9.237 1.00 0.00 H new ATOM 0 HA GLU A 108 0.441 14.274 -11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.143 16.049 -12.518 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.645 15.549 -11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.521 17.504 -10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.029 18.008 -11.003 1.00 0.00 H new ATOM 1718 N ALA A 109 1.357 16.490 -8.917 1.00 0.00 N ATOM 1719 CA ALA A 109 2.388 17.316 -8.299 1.00 0.00 C ATOM 1720 C ALA A 109 3.752 16.633 -8.342 1.00 0.00 C ATOM 1721 O ALA A 109 3.901 15.470 -7.946 1.00 0.00 O ATOM 1722 CB ALA A 109 2.041 17.610 -6.832 1.00 0.00 C ATOM 0 H ALA A 109 0.557 16.361 -8.297 1.00 0.00 H new ATOM 0 HA ALA A 109 2.432 18.245 -8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.823 18.227 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.089 18.139 -6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.964 16.672 -6.281 1.00 0.00 H new ATOM 1728 N LYS A 110 4.762 17.398 -8.766 1.00 0.00 N ATOM 1729 CA LYS A 110 6.144 16.937 -8.776 1.00 0.00 C ATOM 1730 C LYS A 110 6.853 17.292 -7.462 1.00 0.00 C ATOM 1731 O LYS A 110 6.548 18.329 -6.871 1.00 0.00 O ATOM 1732 CB LYS A 110 6.866 17.503 -10.012 1.00 0.00 C ATOM 1733 CG LYS A 110 6.322 16.918 -11.329 1.00 0.00 C ATOM 1734 CD LYS A 110 6.993 17.515 -12.576 1.00 0.00 C ATOM 1735 CE LYS A 110 8.484 17.154 -12.674 1.00 0.00 C ATOM 1736 NZ LYS A 110 9.090 17.669 -13.932 1.00 0.00 N ATOM 0 H LYS A 110 4.640 18.351 -9.110 1.00 0.00 H new ATOM 0 HA LYS A 110 6.165 15.850 -8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.758 18.588 -10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.932 17.290 -9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.468 15.838 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.248 17.095 -11.382 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.477 17.159 -13.468 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.886 18.600 -12.558 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.016 17.567 -11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.601 16.071 -12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.096 17.407 -13.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.598 17.255 -14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.000 18.705 -13.962 1.00 0.00 H new ATOM 1750 N PRO A 111 7.862 16.507 -7.044 1.00 0.00 N ATOM 1751 CA PRO A 111 8.650 16.760 -5.831 1.00 0.00 C ATOM 1752 C PRO A 111 9.400 18.106 -5.847 1.00 0.00 C ATOM 1753 O PRO A 111 9.731 18.638 -4.787 1.00 0.00 O ATOM 1754 CB PRO A 111 9.596 15.558 -5.707 1.00 0.00 C ATOM 1755 CG PRO A 111 9.693 15.008 -7.130 1.00 0.00 C ATOM 1756 CD PRO A 111 8.321 15.300 -7.713 1.00 0.00 C ATOM 0 HA PRO A 111 7.999 16.854 -4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.573 15.858 -5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 111 9.203 14.811 -5.017 1.00 0.00 H new ATOM 0 HG2 PRO A 111 10.484 15.499 -7.698 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.913 13.940 -7.134 1.00 0.00 H new ATOM 0 HD2 PRO A 111 8.376 15.446 -8.792 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.636 14.470 -7.539 1.00 0.00 H new ATOM 1764 N ASP A 112 9.616 18.686 -7.033 1.00 0.00 N ATOM 1765 CA ASP A 112 10.221 20.012 -7.216 1.00 0.00 C ATOM 1766 C ASP A 112 9.213 21.183 -7.225 1.00 0.00 C ATOM 1767 O ASP A 112 9.612 22.342 -7.087 1.00 0.00 O ATOM 1768 CB ASP A 112 11.068 20.016 -8.498 1.00 0.00 C ATOM 1769 CG ASP A 112 12.246 19.031 -8.424 1.00 0.00 C ATOM 1770 OD1 ASP A 112 13.233 19.319 -7.706 1.00 0.00 O ATOM 1771 OD2 ASP A 112 12.199 17.975 -9.102 1.00 0.00 O ATOM 0 H ASP A 112 9.369 18.236 -7.914 1.00 0.00 H new ATOM 0 HA ASP A 112 10.848 20.186 -6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 112 10.436 19.760 -9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 112 11.449 21.022 -8.676 1.00 0.00 H new ATOM 1776 N GLU A 113 7.912 20.901 -7.362 1.00 0.00 N ATOM 1777 CA GLU A 113 6.836 21.910 -7.369 1.00 0.00 C ATOM 1778 C GLU A 113 6.143 22.048 -6.002 1.00 0.00 C ATOM 1779 O GLU A 113 5.465 23.046 -5.748 1.00 0.00 O ATOM 1780 CB GLU A 113 5.800 21.556 -8.452 1.00 0.00 C ATOM 1781 CG GLU A 113 6.355 21.603 -9.885 1.00 0.00 C ATOM 1782 CD GLU A 113 6.837 23.010 -10.294 1.00 0.00 C ATOM 1783 OE1 GLU A 113 6.023 23.966 -10.275 1.00 0.00 O ATOM 1784 OE2 GLU A 113 8.026 23.167 -10.663 1.00 0.00 O ATOM 0 H GLU A 113 7.567 19.948 -7.474 1.00 0.00 H new ATOM 0 HA GLU A 113 7.296 22.873 -7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 113 5.411 20.557 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 113 4.959 22.246 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 113 7.184 20.901 -9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 113 5.583 21.272 -10.580 1.00 0.00 H new ATOM 1791 N LEU A 114 6.318 21.062 -5.113 1.00 0.00 N ATOM 1792 CA LEU A 114 5.745 21.043 -3.765 1.00 0.00 C ATOM 1793 C LEU A 114 6.553 21.975 -2.849 1.00 0.00 C ATOM 1794 O LEU A 114 7.787 21.920 -2.828 1.00 0.00 O ATOM 1795 CB LEU A 114 5.729 19.592 -3.235 1.00 0.00 C ATOM 1796 CG LEU A 114 4.699 18.695 -3.948 1.00 0.00 C ATOM 1797 CD1 LEU A 114 5.065 17.217 -3.841 1.00 0.00 C ATOM 1798 CD2 LEU A 114 3.320 18.875 -3.318 1.00 0.00 C ATOM 0 H LEU A 114 6.877 20.234 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 114 4.717 21.405 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.722 19.158 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.512 19.605 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 114 4.693 18.992 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.314 16.618 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.040 17.049 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.103 16.927 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.600 18.236 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.363 18.601 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.011 19.916 -3.410 1.00 0.00 H new ATOM 1810 N MET A 115 5.865 22.828 -2.089 1.00 0.00 N ATOM 1811 CA MET A 115 6.480 23.827 -1.205 1.00 0.00 C ATOM 1812 C MET A 115 5.771 23.886 0.148 1.00 0.00 C ATOM 1813 O MET A 115 4.555 23.722 0.212 1.00 0.00 O ATOM 1814 CB MET A 115 6.434 25.218 -1.852 1.00 0.00 C ATOM 1815 CG MET A 115 7.169 25.320 -3.188 1.00 0.00 C ATOM 1816 SD MET A 115 6.970 26.937 -3.984 1.00 0.00 S ATOM 1817 CE MET A 115 7.793 26.591 -5.562 1.00 0.00 C ATOM 0 H MET A 115 4.845 22.847 -2.068 1.00 0.00 H new ATOM 0 HA MET A 115 7.516 23.526 -1.048 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.392 25.501 -2.002 1.00 0.00 H new ATOM 0 HB3 MET A 115 6.864 25.942 -1.159 1.00 0.00 H new ATOM 0 HG2 MET A 115 8.230 25.128 -3.028 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.802 24.543 -3.859 1.00 0.00 H new ATOM 0 HE1 MET A 115 7.767 27.482 -6.189 1.00 0.00 H new ATOM 0 HE2 MET A 115 8.829 26.307 -5.377 1.00 0.00 H new ATOM 0 HE3 MET A 115 7.278 25.775 -6.070 1.00 0.00 H new ATOM 1827 N ASP A 116 6.494 24.170 1.230 1.00 0.00 N ATOM 1828 CA ASP A 116 5.929 24.148 2.588 1.00 0.00 C ATOM 1829 C ASP A 116 6.534 25.172 3.565 1.00 0.00 C ATOM 1830 O ASP A 116 7.542 25.824 3.281 1.00 0.00 O ATOM 1831 CB ASP A 116 6.016 22.721 3.157 1.00 0.00 C ATOM 1832 CG ASP A 116 7.459 22.271 3.442 1.00 0.00 C ATOM 1833 OD1 ASP A 116 7.991 22.589 4.533 1.00 0.00 O ATOM 1834 OD2 ASP A 116 8.054 21.570 2.588 1.00 0.00 O ATOM 0 H ASP A 116 7.482 24.421 1.196 1.00 0.00 H new ATOM 0 HA ASP A 116 4.889 24.456 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.437 22.668 4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 116 5.558 22.027 2.452 1.00 0.00 H new ATOM 1839 N SER A 117 5.888 25.313 4.726 1.00 0.00 N ATOM 1840 CA SER A 117 6.354 26.071 5.898 1.00 0.00 C ATOM 1841 C SER A 117 5.941 25.368 7.197 1.00 0.00 C ATOM 1842 O SER A 117 4.789 24.946 7.307 1.00 0.00 O ATOM 1843 CB SER A 117 5.771 27.493 5.894 1.00 0.00 C ATOM 1844 OG SER A 117 4.359 27.474 5.769 1.00 0.00 O ATOM 0 H SER A 117 4.978 24.880 4.885 1.00 0.00 H new ATOM 0 HA SER A 117 7.441 26.125 5.844 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.049 28.004 6.816 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.203 28.062 5.071 1.00 0.00 H new ATOM 0 HG SER A 117 3.996 26.717 6.274 1.00 0.00 H new ATOM 1850 N LYS A 118 6.827 25.308 8.200 1.00 0.00 N ATOM 1851 CA LYS A 118 6.531 24.782 9.551 1.00 0.00 C ATOM 1852 C LYS A 118 6.608 25.859 10.641 1.00 0.00 C ATOM 1853 O LYS A 118 7.401 26.795 10.542 1.00 0.00 O ATOM 1854 CB LYS A 118 7.353 23.511 9.858 1.00 0.00 C ATOM 1855 CG LYS A 118 8.789 23.697 10.387 1.00 0.00 C ATOM 1856 CD LYS A 118 9.718 24.488 9.452 1.00 0.00 C ATOM 1857 CE LYS A 118 11.176 24.513 9.945 1.00 0.00 C ATOM 1858 NZ LYS A 118 11.869 23.204 9.767 1.00 0.00 N ATOM 0 H LYS A 118 7.790 25.629 8.099 1.00 0.00 H new ATOM 0 HA LYS A 118 5.487 24.469 9.556 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.800 22.922 10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.406 22.917 8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.744 24.207 11.350 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.226 22.715 10.566 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.683 24.048 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.352 25.511 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.724 25.285 9.405 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.193 24.788 11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.846 23.278 10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.365 22.469 10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.879 22.951 8.758 1.00 0.00 H new ATOM 1872 N LEU A 119 5.753 25.735 11.656 1.00 0.00 N ATOM 1873 CA LEU A 119 5.540 26.712 12.732 1.00 0.00 C ATOM 1874 C LEU A 119 5.300 25.982 14.064 1.00 0.00 C ATOM 1875 O LEU A 119 4.750 24.883 14.065 1.00 0.00 O ATOM 1876 CB LEU A 119 4.324 27.609 12.388 1.00 0.00 C ATOM 1877 CG LEU A 119 4.477 28.529 11.151 1.00 0.00 C ATOM 1878 CD1 LEU A 119 3.918 27.896 9.870 1.00 0.00 C ATOM 1879 CD2 LEU A 119 3.697 29.834 11.329 1.00 0.00 C ATOM 0 H LEU A 119 5.160 24.912 11.758 1.00 0.00 H new ATOM 0 HA LEU A 119 6.427 27.338 12.830 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.458 26.966 12.231 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.104 28.234 13.254 1.00 0.00 H new ATOM 0 HG LEU A 119 5.550 28.699 11.063 1.00 0.00 H new ATOM 0 HD11 LEU A 119 4.052 28.584 9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.448 26.967 9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.856 27.687 10.001 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.825 30.458 10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.639 29.610 11.465 1.00 0.00 H new ATOM 0 HD23 LEU A 119 4.071 30.365 12.204 1.00 0.00 H new ATOM 1891 N ARG A 120 5.667 26.569 15.208 1.00 0.00 N ATOM 1892 CA ARG A 120 5.403 25.997 16.548 1.00 0.00 C ATOM 1893 C ARG A 120 4.160 26.632 17.175 1.00 0.00 C ATOM 1894 O ARG A 120 3.748 27.716 16.765 1.00 0.00 O ATOM 1895 CB ARG A 120 6.623 26.195 17.468 1.00 0.00 C ATOM 1896 CG ARG A 120 7.962 25.751 16.846 1.00 0.00 C ATOM 1897 CD ARG A 120 9.157 26.268 17.656 1.00 0.00 C ATOM 1898 NE ARG A 120 9.280 27.732 17.522 1.00 0.00 N ATOM 1899 CZ ARG A 120 10.218 28.510 18.021 1.00 0.00 C ATOM 1900 NH1 ARG A 120 11.210 28.042 18.726 1.00 0.00 N ATOM 1901 NH2 ARG A 120 10.164 29.791 17.815 1.00 0.00 N ATOM 0 H ARG A 120 6.160 27.462 15.239 1.00 0.00 H new ATOM 0 HA ARG A 120 5.222 24.929 16.431 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.693 27.249 17.739 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.462 25.639 18.391 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.998 24.663 16.797 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.029 26.119 15.822 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.034 26.002 18.706 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.072 25.787 17.311 1.00 0.00 H new ATOM 0 HE ARG A 120 8.552 28.197 16.979 1.00 0.00 H new ATOM 0 HH11 ARG A 120 11.279 27.041 18.908 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.917 28.677 19.096 1.00 0.00 H new ATOM 0 HH21 ARG A 120 9.399 30.188 17.270 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.887 30.400 18.198 1.00 0.00 H new ATOM 1915 N CYS A 121 3.579 25.991 18.187 1.00 0.00 N ATOM 1916 CA CYS A 121 2.532 26.577 19.020 1.00 0.00 C ATOM 1917 C CYS A 121 3.174 27.314 20.206 1.00 0.00 C ATOM 1918 O CYS A 121 4.110 26.804 20.825 1.00 0.00 O ATOM 1919 CB CYS A 121 1.577 25.473 19.490 1.00 0.00 C ATOM 1920 SG CYS A 121 0.880 24.585 18.068 1.00 0.00 S ATOM 0 H CYS A 121 3.825 25.038 18.455 1.00 0.00 H new ATOM 0 HA CYS A 121 1.954 27.302 18.446 1.00 0.00 H new ATOM 0 HB2 CYS A 121 2.109 24.775 20.137 1.00 0.00 H new ATOM 0 HB3 CYS A 121 0.773 25.908 20.084 1.00 0.00 H new ATOM 0 HG CYS A 121 -0.167 23.913 18.446 1.00 0.00 H new ATOM 1926 N VAL A 122 2.662 28.494 20.543 1.00 0.00 N ATOM 1927 CA VAL A 122 3.059 29.293 21.715 1.00 0.00 C ATOM 1928 C VAL A 122 1.860 29.434 22.643 1.00 0.00 C ATOM 1929 O VAL A 122 0.767 29.724 22.168 1.00 0.00 O ATOM 1930 CB VAL A 122 3.569 30.683 21.293 1.00 0.00 C ATOM 1931 CG1 VAL A 122 3.932 31.540 22.509 1.00 0.00 C ATOM 1932 CG2 VAL A 122 4.789 30.576 20.376 1.00 0.00 C ATOM 0 H VAL A 122 1.931 28.943 19.991 1.00 0.00 H new ATOM 0 HA VAL A 122 3.873 28.785 22.232 1.00 0.00 H new ATOM 0 HB VAL A 122 2.754 31.162 20.750 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.288 32.514 22.174 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.051 31.672 23.137 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.716 31.045 23.082 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.123 31.575 20.097 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.593 30.057 20.899 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.521 30.019 19.478 1.00 0.00 H new ATOM 1942 N PHE A 123 2.062 29.267 23.951 1.00 0.00 N ATOM 1943 CA PHE A 123 0.982 29.216 24.942 1.00 0.00 C ATOM 1944 C PHE A 123 1.109 30.340 25.987 1.00 0.00 C ATOM 1945 O PHE A 123 2.089 30.393 26.736 1.00 0.00 O ATOM 1946 CB PHE A 123 0.979 27.832 25.601 1.00 0.00 C ATOM 1947 CG PHE A 123 0.925 26.675 24.628 1.00 0.00 C ATOM 1948 CD1 PHE A 123 -0.199 26.510 23.797 1.00 0.00 C ATOM 1949 CD2 PHE A 123 2.007 25.777 24.536 1.00 0.00 C ATOM 1950 CE1 PHE A 123 -0.241 25.453 22.875 1.00 0.00 C ATOM 1951 CE2 PHE A 123 1.958 24.715 23.619 1.00 0.00 C ATOM 1952 CZ PHE A 123 0.835 24.551 22.795 1.00 0.00 C ATOM 0 H PHE A 123 2.991 29.162 24.359 1.00 0.00 H new ATOM 0 HA PHE A 123 0.029 29.377 24.437 1.00 0.00 H new ATOM 0 HB2 PHE A 123 1.875 27.733 26.214 1.00 0.00 H new ATOM 0 HB3 PHE A 123 0.124 27.765 26.273 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -1.029 27.197 23.869 1.00 0.00 H new ATOM 0 HD2 PHE A 123 2.872 25.905 25.170 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.098 25.332 22.228 1.00 0.00 H new ATOM 0 HE2 PHE A 123 2.785 24.024 23.548 1.00 0.00 H new ATOM 0 HZ PHE A 123 0.796 23.729 22.096 1.00 0.00 H new ATOM 1962 N GLU A 124 0.120 31.234 26.055 1.00 0.00 N ATOM 1963 CA GLU A 124 0.137 32.439 26.899 1.00 0.00 C ATOM 1964 C GLU A 124 -1.150 32.595 27.729 1.00 0.00 C ATOM 1965 O GLU A 124 -2.255 32.492 27.195 1.00 0.00 O ATOM 1966 CB GLU A 124 0.333 33.697 26.030 1.00 0.00 C ATOM 1967 CG GLU A 124 1.612 33.674 25.186 1.00 0.00 C ATOM 1968 CD GLU A 124 1.844 35.034 24.502 1.00 0.00 C ATOM 1969 OE1 GLU A 124 2.490 35.920 25.115 1.00 0.00 O ATOM 1970 OE2 GLU A 124 1.395 35.227 23.346 1.00 0.00 O ATOM 0 H GLU A 124 -0.738 31.141 25.512 1.00 0.00 H new ATOM 0 HA GLU A 124 0.971 32.325 27.591 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.526 33.807 25.368 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.351 34.574 26.677 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.466 33.430 25.819 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.541 32.891 24.432 1.00 0.00 H new ATOM 1977 N MET A 125 -1.021 32.932 29.018 1.00 0.00 N ATOM 1978 CA MET A 125 -2.160 33.259 29.889 1.00 0.00 C ATOM 1979 C MET A 125 -2.502 34.766 29.850 1.00 0.00 C ATOM 1980 O MET A 125 -1.600 35.593 29.671 1.00 0.00 O ATOM 1981 CB MET A 125 -1.924 32.758 31.324 1.00 0.00 C ATOM 1982 CG MET A 125 -0.655 33.314 31.990 1.00 0.00 C ATOM 1983 SD MET A 125 -0.376 32.749 33.694 1.00 0.00 S ATOM 1984 CE MET A 125 -1.697 33.641 34.564 1.00 0.00 C ATOM 0 H MET A 125 -0.119 32.986 29.490 1.00 0.00 H new ATOM 0 HA MET A 125 -3.032 32.733 29.500 1.00 0.00 H new ATOM 0 HB2 MET A 125 -2.787 33.024 31.935 1.00 0.00 H new ATOM 0 HB3 MET A 125 -1.866 31.670 31.311 1.00 0.00 H new ATOM 0 HG2 MET A 125 0.207 33.036 31.384 1.00 0.00 H new ATOM 0 HG3 MET A 125 -0.708 34.403 31.988 1.00 0.00 H new ATOM 0 HE1 MET A 125 -1.575 33.514 35.640 1.00 0.00 H new ATOM 0 HE2 MET A 125 -1.645 34.701 34.316 1.00 0.00 H new ATOM 0 HE3 MET A 125 -2.666 33.244 34.260 1.00 0.00 H new ATOM 2301 N GLU B 358 5.441 13.466 15.250 1.00 0.00 N ATOM 2302 CA GLU B 358 4.317 12.829 14.564 1.00 0.00 C ATOM 2303 C GLU B 358 3.252 13.817 14.049 1.00 0.00 C ATOM 2304 O GLU B 358 2.231 14.064 14.692 1.00 0.00 O ATOM 2305 CB GLU B 358 3.765 11.652 15.379 1.00 0.00 C ATOM 2306 CG GLU B 358 3.056 10.656 14.457 1.00 0.00 C ATOM 2307 CD GLU B 358 4.041 9.847 13.591 1.00 0.00 C ATOM 2308 OE1 GLU B 358 4.602 8.840 14.086 1.00 0.00 O ATOM 2309 OE2 GLU B 358 4.246 10.207 12.406 1.00 0.00 O ATOM 0 HA GLU B 358 4.708 12.400 13.641 1.00 0.00 H new ATOM 0 HB2 GLU B 358 4.577 11.154 15.908 1.00 0.00 H new ATOM 0 HB3 GLU B 358 3.070 12.018 16.134 1.00 0.00 H new ATOM 0 HG2 GLU B 358 2.459 9.971 15.059 1.00 0.00 H new ATOM 0 HG3 GLU B 358 2.365 11.195 13.808 1.00 0.00 H new ATOM 2316 N PHE B 359 3.480 14.368 12.849 1.00 0.00 N ATOM 2317 CA PHE B 359 2.468 15.150 12.132 1.00 0.00 C ATOM 2318 C PHE B 359 1.328 14.261 11.596 1.00 0.00 C ATOM 2319 O PHE B 359 1.548 13.136 11.135 1.00 0.00 O ATOM 2320 CB PHE B 359 3.100 15.946 10.977 1.00 0.00 C ATOM 2321 CG PHE B 359 3.889 17.178 11.384 1.00 0.00 C ATOM 2322 CD1 PHE B 359 3.208 18.322 11.844 1.00 0.00 C ATOM 2323 CD2 PHE B 359 5.290 17.213 11.242 1.00 0.00 C ATOM 2324 CE1 PHE B 359 3.925 19.492 12.155 1.00 0.00 C ATOM 2325 CE2 PHE B 359 6.006 18.385 11.550 1.00 0.00 C ATOM 2326 CZ PHE B 359 5.321 19.530 11.999 1.00 0.00 C ATOM 0 H PHE B 359 4.367 14.284 12.352 1.00 0.00 H new ATOM 0 HA PHE B 359 2.041 15.849 12.851 1.00 0.00 H new ATOM 0 HB2 PHE B 359 3.760 15.281 10.420 1.00 0.00 H new ATOM 0 HB3 PHE B 359 2.307 16.253 10.295 1.00 0.00 H new ATOM 0 HD1 PHE B 359 2.134 18.301 11.958 1.00 0.00 H new ATOM 0 HD2 PHE B 359 5.817 16.337 10.895 1.00 0.00 H new ATOM 0 HE1 PHE B 359 3.400 20.365 12.515 1.00 0.00 H new ATOM 0 HE2 PHE B 359 7.080 18.406 11.442 1.00 0.00 H new ATOM 0 HZ PHE B 359 5.867 20.435 12.223 1.00 0.00 H new ATOM 2336 N PHE B 360 0.113 14.810 11.600 1.00 0.00 N ATOM 2337 CA PHE B 360 -1.129 14.213 11.116 1.00 0.00 C ATOM 2338 C PHE B 360 -1.870 15.205 10.211 1.00 0.00 C ATOM 2339 O PHE B 360 -1.802 16.420 10.416 1.00 0.00 O ATOM 2340 CB PHE B 360 -2.016 13.838 12.315 1.00 0.00 C ATOM 2341 CG PHE B 360 -1.652 12.528 12.986 1.00 0.00 C ATOM 2342 CD1 PHE B 360 -0.671 12.480 13.996 1.00 0.00 C ATOM 2343 CD2 PHE B 360 -2.313 11.345 12.603 1.00 0.00 C ATOM 2344 CE1 PHE B 360 -0.384 11.264 14.642 1.00 0.00 C ATOM 2345 CE2 PHE B 360 -2.005 10.127 13.231 1.00 0.00 C ATOM 2346 CZ PHE B 360 -1.047 10.086 14.258 1.00 0.00 C ATOM 0 H PHE B 360 -0.038 15.749 11.968 1.00 0.00 H new ATOM 0 HA PHE B 360 -0.898 13.317 10.541 1.00 0.00 H new ATOM 0 HB2 PHE B 360 -1.961 14.637 13.054 1.00 0.00 H new ATOM 0 HB3 PHE B 360 -3.052 13.784 11.981 1.00 0.00 H new ATOM 0 HD1 PHE B 360 -0.139 13.378 14.274 1.00 0.00 H new ATOM 0 HD2 PHE B 360 -3.060 11.374 11.823 1.00 0.00 H new ATOM 0 HE1 PHE B 360 0.348 11.236 15.435 1.00 0.00 H new ATOM 0 HE2 PHE B 360 -2.505 9.220 12.924 1.00 0.00 H new ATOM 0 HZ PHE B 360 -0.821 9.152 14.751 1.00 0.00 H new ATOM 2356 N ASP B 361 -2.618 14.691 9.234 1.00 0.00 N ATOM 2357 CA ASP B 361 -3.546 15.493 8.431 1.00 0.00 C ATOM 2358 C ASP B 361 -4.647 16.073 9.335 1.00 0.00 C ATOM 2359 O ASP B 361 -5.431 15.334 9.939 1.00 0.00 O ATOM 2360 CB ASP B 361 -4.118 14.618 7.311 1.00 0.00 C ATOM 2361 CG ASP B 361 -5.085 15.402 6.412 1.00 0.00 C ATOM 2362 OD1 ASP B 361 -4.631 16.357 5.738 1.00 0.00 O ATOM 2363 OD2 ASP B 361 -6.288 15.048 6.360 1.00 0.00 O ATOM 0 H ASP B 361 -2.598 13.705 8.975 1.00 0.00 H new ATOM 0 HA ASP B 361 -3.028 16.335 7.972 1.00 0.00 H new ATOM 0 HB2 ASP B 361 -3.302 14.221 6.707 1.00 0.00 H new ATOM 0 HB3 ASP B 361 -4.638 13.764 7.746 1.00 0.00 H new ATOM 2368 N ALA B 362 -4.664 17.401 9.479 1.00 0.00 N ATOM 2369 CA ALA B 362 -5.506 18.076 10.465 1.00 0.00 C ATOM 2370 C ALA B 362 -7.013 17.974 10.124 1.00 0.00 C ATOM 2371 O ALA B 362 -7.391 18.258 8.982 1.00 0.00 O ATOM 2372 CB ALA B 362 -5.066 19.538 10.586 1.00 0.00 C ATOM 0 H ALA B 362 -4.096 18.035 8.917 1.00 0.00 H new ATOM 0 HA ALA B 362 -5.377 17.574 11.424 1.00 0.00 H new ATOM 0 HB1 ALA B 362 -5.691 20.046 11.320 1.00 0.00 H new ATOM 0 HB2 ALA B 362 -4.025 19.579 10.905 1.00 0.00 H new ATOM 0 HB3 ALA B 362 -5.169 20.030 9.619 1.00 0.00 H new ATOM 2378 N PRO B 363 -7.892 17.625 11.086 1.00 0.00 N ATOM 2379 CA PRO B 363 -9.336 17.572 10.867 1.00 0.00 C ATOM 2380 C PRO B 363 -9.980 18.962 10.958 1.00 0.00 C ATOM 2381 O PRO B 363 -9.477 19.855 11.642 1.00 0.00 O ATOM 2382 CB PRO B 363 -9.861 16.630 11.952 1.00 0.00 C ATOM 2383 CG PRO B 363 -8.916 16.899 13.122 1.00 0.00 C ATOM 2384 CD PRO B 363 -7.575 17.167 12.434 1.00 0.00 C ATOM 0 HA PRO B 363 -9.581 17.217 9.866 1.00 0.00 H new ATOM 0 HB2 PRO B 363 -10.897 16.849 12.211 1.00 0.00 H new ATOM 0 HB3 PRO B 363 -9.825 15.588 11.635 1.00 0.00 H new ATOM 0 HG2 PRO B 363 -9.242 17.753 13.715 1.00 0.00 H new ATOM 0 HG3 PRO B 363 -8.859 16.046 13.798 1.00 0.00 H new ATOM 0 HD2 PRO B 363 -7.003 17.920 12.976 1.00 0.00 H new ATOM 0 HD3 PRO B 363 -6.965 16.264 12.405 1.00 0.00 H new ATOM 2392 N GLU B 364 -11.146 19.132 10.330 1.00 0.00 N ATOM 2393 CA GLU B 364 -11.960 20.348 10.476 1.00 0.00 C ATOM 2394 C GLU B 364 -12.492 20.537 11.899 1.00 0.00 C ATOM 2395 O GLU B 364 -12.492 21.660 12.408 1.00 0.00 O ATOM 2396 CB GLU B 364 -13.090 20.397 9.441 1.00 0.00 C ATOM 2397 CG GLU B 364 -14.055 19.203 9.452 1.00 0.00 C ATOM 2398 CD GLU B 364 -15.131 19.362 8.363 1.00 0.00 C ATOM 2399 OE1 GLU B 364 -16.200 19.959 8.641 1.00 0.00 O ATOM 2400 OE2 GLU B 364 -14.922 18.880 7.222 1.00 0.00 O ATOM 0 H GLU B 364 -11.554 18.435 9.707 1.00 0.00 H new ATOM 0 HA GLU B 364 -11.295 21.189 10.282 1.00 0.00 H new ATOM 0 HB2 GLU B 364 -13.666 21.308 9.602 1.00 0.00 H new ATOM 0 HB3 GLU B 364 -12.646 20.472 8.448 1.00 0.00 H new ATOM 0 HG2 GLU B 364 -13.500 18.279 9.289 1.00 0.00 H new ATOM 0 HG3 GLU B 364 -14.530 19.122 10.430 1.00 0.00 H new ATOM 2407 N ILE B 365 -12.890 19.441 12.558 1.00 0.00 N ATOM 2408 CA ILE B 365 -13.221 19.416 13.984 1.00 0.00 C ATOM 2409 C ILE B 365 -13.037 18.012 14.595 1.00 0.00 C ATOM 2410 O ILE B 365 -13.130 17.002 13.895 1.00 0.00 O ATOM 2411 CB ILE B 365 -14.629 20.011 14.224 1.00 0.00 C ATOM 2412 CG1 ILE B 365 -14.672 20.690 15.611 1.00 0.00 C ATOM 2413 CG2 ILE B 365 -15.755 18.981 14.027 1.00 0.00 C ATOM 2414 CD1 ILE B 365 -15.911 21.560 15.837 1.00 0.00 C ATOM 0 H ILE B 365 -12.992 18.533 12.105 1.00 0.00 H new ATOM 0 HA ILE B 365 -12.513 20.054 14.514 1.00 0.00 H new ATOM 0 HB ILE B 365 -14.815 20.770 13.464 1.00 0.00 H new ATOM 0 HG12 ILE B 365 -14.634 19.921 16.383 1.00 0.00 H new ATOM 0 HG13 ILE B 365 -13.781 21.306 15.731 1.00 0.00 H new ATOM 0 HG21 ILE B 365 -16.719 19.456 14.209 1.00 0.00 H new ATOM 0 HG22 ILE B 365 -15.725 18.600 13.006 1.00 0.00 H new ATOM 0 HG23 ILE B 365 -15.620 18.156 14.726 1.00 0.00 H new ATOM 0 HD11 ILE B 365 -15.869 22.002 16.832 1.00 0.00 H new ATOM 0 HD12 ILE B 365 -15.941 22.352 15.089 1.00 0.00 H new ATOM 0 HD13 ILE B 365 -16.807 20.946 15.751 1.00 0.00 H new ATOM 2426 N ILE B 366 -12.789 17.944 15.907 1.00 0.00 N ATOM 2427 CA ILE B 366 -12.656 16.693 16.672 1.00 0.00 C ATOM 2428 C ILE B 366 -14.041 16.128 17.042 1.00 0.00 C ATOM 2429 O ILE B 366 -14.900 16.853 17.547 1.00 0.00 O ATOM 2430 CB ILE B 366 -11.708 16.896 17.885 1.00 0.00 C ATOM 2431 CG1 ILE B 366 -11.515 15.644 18.766 1.00 0.00 C ATOM 2432 CG2 ILE B 366 -12.139 18.044 18.820 1.00 0.00 C ATOM 2433 CD1 ILE B 366 -11.101 14.368 18.023 1.00 0.00 C ATOM 0 H ILE B 366 -12.672 18.777 16.484 1.00 0.00 H new ATOM 0 HA ILE B 366 -12.186 15.932 16.049 1.00 0.00 H new ATOM 0 HB ILE B 366 -10.765 17.140 17.396 1.00 0.00 H new ATOM 0 HG12 ILE B 366 -10.759 15.865 19.520 1.00 0.00 H new ATOM 0 HG13 ILE B 366 -12.447 15.448 19.296 1.00 0.00 H new ATOM 0 HG21 ILE B 366 -11.431 18.127 19.644 1.00 0.00 H new ATOM 0 HG22 ILE B 366 -12.158 18.980 18.262 1.00 0.00 H new ATOM 0 HG23 ILE B 366 -13.133 17.837 19.216 1.00 0.00 H new ATOM 0 HD11 ILE B 366 -10.993 13.551 18.736 1.00 0.00 H new ATOM 0 HD12 ILE B 366 -11.864 14.111 17.289 1.00 0.00 H new ATOM 0 HD13 ILE B 366 -10.151 14.535 17.516 1.00 0.00 H new