USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 990 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 47 CYS SG : rot -102:sc= -3.16! USER MOD Set 1.2: A 106 GLN : amide:sc= -0.756! C(o=-3.9!,f=-8.9!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.216 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.146 F(o=-2.7!,f=-0.15) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 73:sc= 1.04 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -50:sc= 0.405 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= -2.8! (180deg=-5.64!) USER MOD Single : A 51 GLN : amide:sc= 0.27 K(o=0.27,f=-9.2!) USER MOD Single : A 52 GLN : amide:sc= -0.806 X(o=-0.81,f=-0.81) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -19:sc= 0.983 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.8!) USER MOD Single : A 63 GLN : amide:sc= -0.741 K(o=-0.74,f=-5!) USER MOD Single : A 67 ASN : amide:sc= 0.175 X(o=0.17,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.721 X(o=-0.72,f=-0.41) USER MOD Single : A 74 SER OG : rot 180:sc= -0.148 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.0829 X(o=0.083,f=-0.28) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= -0.595 F(o=-1.1,f=-0.6) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.89 F(o=-2.4,f=-1.9) USER MOD Single : A 101 MET CE :methyl -173:sc= -2.3 (180deg=-3.01!) USER MOD Single : A 105 GLN : amide:sc= -0.598 K(o=-0.6,f=-5.1!) USER MOD Single : A 108 GLN : amide:sc= 0.111 K(o=0.11,f=-3.6!) USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 113 MET CE :methyl -128:sc= -0.0373 (180deg=-0.927) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -101:sc= 0.0177 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -170:sc=-0.00839 (180deg=-0.121) USER MOD Single : A 124 SER OG : rot 59:sc= 0.322 USER MOD Single : A 127 TYR OH : rot -70:sc= -0.236 USER MOD Single : A 130 CYS SG : rot -101:sc= 0.209 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -13.566 -3.670 -4.858 1.00 0.00 N ATOM 107 CA VAL A 8 -12.586 -2.605 -4.623 1.00 0.00 C ATOM 108 C VAL A 8 -12.843 -1.872 -3.303 1.00 0.00 C ATOM 109 O VAL A 8 -11.961 -1.189 -2.789 1.00 0.00 O ATOM 110 CB VAL A 8 -12.565 -1.575 -5.783 1.00 0.00 C ATOM 111 CG1 VAL A 8 -12.185 -2.249 -7.101 1.00 0.00 C ATOM 112 CG2 VAL A 8 -13.907 -0.855 -5.908 1.00 0.00 C ATOM 0 HA VAL A 8 -11.615 -3.096 -4.569 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.806 -0.827 -5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.177 -1.507 -7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.194 -2.695 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.912 -3.026 -7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.861 -0.140 -6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.694 -1.583 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.125 -0.328 -4.979 1.00 0.00 H new ATOM 122 N ALA A 9 -14.043 -2.032 -2.750 1.00 0.00 N ATOM 123 CA ALA A 9 -14.392 -1.410 -1.472 1.00 0.00 C ATOM 124 C ALA A 9 -13.447 -1.883 -0.360 1.00 0.00 C ATOM 125 O ALA A 9 -13.340 -1.251 0.694 1.00 0.00 O ATOM 126 CB ALA A 9 -15.843 -1.713 -1.113 1.00 0.00 C ATOM 0 H ALA A 9 -14.791 -2.587 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.280 -0.330 -1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.088 -1.244 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.500 -1.321 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.980 -2.791 -1.032 1.00 0.00 H new ATOM 132 N SER A 10 -12.755 -2.994 -0.620 1.00 0.00 N ATOM 133 CA SER A 10 -11.787 -3.561 0.314 1.00 0.00 C ATOM 134 C SER A 10 -10.714 -2.541 0.706 1.00 0.00 C ATOM 135 O SER A 10 -10.078 -2.681 1.755 1.00 0.00 O ATOM 136 CB SER A 10 -11.139 -4.801 -0.306 1.00 0.00 C ATOM 137 OG SER A 10 -12.126 -5.740 -0.692 1.00 0.00 O ATOM 0 H SER A 10 -12.852 -3.525 -1.486 1.00 0.00 H new ATOM 0 HA SER A 10 -12.318 -3.842 1.223 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.545 -4.512 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.456 -5.257 0.410 1.00 0.00 H new ATOM 0 HG SER A 10 -11.693 -6.525 -1.088 1.00 0.00 H new ATOM 143 N TRP A 11 -10.522 -1.516 -0.130 1.00 0.00 N ATOM 144 CA TRP A 11 -9.570 -0.450 0.177 1.00 0.00 C ATOM 145 C TRP A 11 -9.881 0.145 1.546 1.00 0.00 C ATOM 146 O TRP A 11 -8.989 0.377 2.354 1.00 0.00 O ATOM 147 CB TRP A 11 -9.631 0.678 -0.859 1.00 0.00 C ATOM 148 CG TRP A 11 -9.396 0.275 -2.287 1.00 0.00 C ATOM 149 CD1 TRP A 11 -8.737 -0.824 -2.765 1.00 0.00 C ATOM 150 CD2 TRP A 11 -9.815 1.020 -3.427 1.00 0.00 C ATOM 151 NE1 TRP A 11 -8.739 -0.806 -4.144 1.00 0.00 N ATOM 152 CE2 TRP A 11 -9.398 0.322 -4.570 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.516 2.214 -3.580 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -9.660 0.789 -5.859 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -10.776 2.681 -4.846 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.351 1.968 -5.978 1.00 0.00 C ATOM 0 H TRP A 11 -11.011 -1.404 -1.018 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.574 -0.892 0.164 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.610 1.153 -0.793 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.892 1.433 -0.589 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.283 -1.591 -2.154 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.320 -1.513 -4.748 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.851 2.766 -2.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.331 0.242 -6.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.314 3.609 -4.972 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -10.572 2.355 -6.962 1.00 0.00 H new ATOM 167 N ALA A 12 -11.171 0.363 1.796 1.00 0.00 N ATOM 168 CA ALA A 12 -11.629 1.031 3.014 1.00 0.00 C ATOM 169 C ALA A 12 -11.727 0.053 4.180 1.00 0.00 C ATOM 170 O ALA A 12 -12.156 0.421 5.276 1.00 0.00 O ATOM 171 CB ALA A 12 -12.975 1.703 2.766 1.00 0.00 C ATOM 0 H ALA A 12 -11.923 0.084 1.166 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.895 1.792 3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.308 2.198 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.872 2.440 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.708 0.952 2.472 1.00 0.00 H new ATOM 177 N LEU A 13 -11.339 -1.195 3.939 1.00 0.00 N ATOM 178 CA LEU A 13 -11.353 -2.220 4.976 1.00 0.00 C ATOM 179 C LEU A 13 -9.950 -2.423 5.542 1.00 0.00 C ATOM 180 O LEU A 13 -9.787 -2.739 6.722 1.00 0.00 O ATOM 181 CB LEU A 13 -11.893 -3.546 4.418 1.00 0.00 C ATOM 182 CG LEU A 13 -13.334 -3.499 3.878 1.00 0.00 C ATOM 183 CD1 LEU A 13 -13.758 -4.868 3.347 1.00 0.00 C ATOM 184 CD2 LEU A 13 -14.304 -3.011 4.956 1.00 0.00 C ATOM 0 H LEU A 13 -11.010 -1.522 3.031 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.011 -1.886 5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.234 -3.878 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.843 -4.299 5.205 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.363 -2.789 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.779 -4.812 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.090 -5.168 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.708 -5.602 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -15.316 -2.986 4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -14.271 -3.689 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.017 -2.010 5.277 1.00 0.00 H new ATOM 196 N SER A 14 -8.937 -2.238 4.697 1.00 0.00 N ATOM 197 CA SER A 14 -7.551 -2.468 5.091 1.00 0.00 C ATOM 198 C SER A 14 -6.600 -1.658 4.201 1.00 0.00 C ATOM 199 O SER A 14 -6.755 -1.632 2.976 1.00 0.00 O ATOM 200 CB SER A 14 -7.229 -3.964 4.994 1.00 0.00 C ATOM 201 OG SER A 14 -8.155 -4.748 5.737 1.00 0.00 O ATOM 0 H SER A 14 -9.053 -1.928 3.732 1.00 0.00 H new ATOM 0 HA SER A 14 -7.416 -2.141 6.122 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.246 -4.273 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.220 -4.144 5.364 1.00 0.00 H new ATOM 0 HG SER A 14 -7.922 -5.696 5.653 1.00 0.00 H new ATOM 207 N PHE A 15 -5.607 -1.016 4.819 1.00 0.00 N ATOM 208 CA PHE A 15 -4.705 -0.114 4.103 1.00 0.00 C ATOM 209 C PHE A 15 -3.734 -0.880 3.204 1.00 0.00 C ATOM 210 O PHE A 15 -3.595 -0.550 2.029 1.00 0.00 O ATOM 211 CB PHE A 15 -3.929 0.774 5.087 1.00 0.00 C ATOM 212 CG PHE A 15 -2.947 1.710 4.418 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.348 2.528 3.370 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.623 1.766 4.831 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.454 3.380 2.753 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.724 2.617 4.215 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.142 3.424 3.175 1.00 0.00 C ATOM 0 H PHE A 15 -5.407 -1.105 5.815 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.321 0.520 3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.639 1.362 5.669 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.390 0.138 5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.374 2.497 3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.291 1.137 5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.782 4.011 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.303 2.651 4.547 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.441 4.089 2.692 1.00 0.00 H new ATOM 227 N GLU A 16 -3.061 -1.891 3.752 1.00 0.00 N ATOM 228 CA GLU A 16 -2.089 -2.670 2.985 1.00 0.00 C ATOM 229 C GLU A 16 -2.752 -3.289 1.751 1.00 0.00 C ATOM 230 O GLU A 16 -2.121 -3.445 0.708 1.00 0.00 O ATOM 231 CB GLU A 16 -1.419 -3.750 3.861 1.00 0.00 C ATOM 232 CG GLU A 16 -2.255 -5.002 4.134 1.00 0.00 C ATOM 233 CD GLU A 16 -3.621 -4.707 4.733 1.00 0.00 C ATOM 234 OE1 GLU A 16 -3.695 -4.018 5.773 1.00 0.00 O ATOM 235 OE2 GLU A 16 -4.628 -5.168 4.162 1.00 0.00 O ATOM 0 H GLU A 16 -3.170 -2.189 4.721 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.304 -1.994 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.489 -4.055 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.151 -3.300 4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.388 -5.550 3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.705 -5.655 4.811 1.00 0.00 H new ATOM 242 N ARG A 17 -4.038 -3.613 1.879 1.00 0.00 N ATOM 243 CA ARG A 17 -4.819 -4.148 0.769 1.00 0.00 C ATOM 244 C ARG A 17 -4.940 -3.088 -0.326 1.00 0.00 C ATOM 245 O ARG A 17 -4.677 -3.356 -1.498 1.00 0.00 O ATOM 246 CB ARG A 17 -6.210 -4.578 1.263 1.00 0.00 C ATOM 247 CG ARG A 17 -6.989 -5.446 0.276 1.00 0.00 C ATOM 248 CD ARG A 17 -6.263 -6.756 -0.024 1.00 0.00 C ATOM 249 NE ARG A 17 -5.934 -7.504 1.197 1.00 0.00 N ATOM 250 CZ ARG A 17 -5.339 -8.702 1.210 1.00 0.00 C ATOM 251 NH1 ARG A 17 -5.059 -9.327 0.072 1.00 0.00 N ATOM 252 NH2 ARG A 17 -5.036 -9.280 2.366 1.00 0.00 N ATOM 0 H ARG A 17 -4.563 -3.513 2.748 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.316 -5.023 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.097 -5.125 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.796 -3.686 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.976 -5.663 0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.141 -4.894 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.887 -7.375 -0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.347 -6.543 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.175 -7.082 2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.298 -8.894 -0.820 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.605 -10.240 0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.257 -8.811 3.244 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.582 -10.193 2.376 1.00 0.00 H new ATOM 266 N LEU A 18 -5.319 -1.877 0.083 1.00 0.00 N ATOM 267 CA LEU A 18 -5.376 -0.720 -0.817 1.00 0.00 C ATOM 268 C LEU A 18 -4.011 -0.472 -1.454 1.00 0.00 C ATOM 269 O LEU A 18 -3.895 -0.266 -2.662 1.00 0.00 O ATOM 270 CB LEU A 18 -5.806 0.533 -0.028 1.00 0.00 C ATOM 271 CG LEU A 18 -5.539 1.888 -0.719 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.433 2.075 -1.938 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.712 3.043 0.263 1.00 0.00 C ATOM 0 H LEU A 18 -5.594 -1.669 1.043 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.102 -0.927 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.873 0.458 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.291 0.529 0.932 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.505 1.885 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.220 3.038 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.241 1.277 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.478 2.043 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.519 3.987 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.731 3.042 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.010 2.927 1.089 1.00 0.00 H new ATOM 285 N LEU A 19 -2.989 -0.518 -0.617 1.00 0.00 N ATOM 286 CA LEU A 19 -1.641 -0.123 -0.993 1.00 0.00 C ATOM 287 C LEU A 19 -0.949 -1.206 -1.824 1.00 0.00 C ATOM 288 O LEU A 19 0.062 -0.952 -2.475 1.00 0.00 O ATOM 289 CB LEU A 19 -0.843 0.185 0.281 1.00 0.00 C ATOM 290 CG LEU A 19 0.493 0.903 0.070 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.296 2.190 -0.733 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.159 1.205 1.405 1.00 0.00 C ATOM 0 H LEU A 19 -3.071 -0.833 0.350 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.693 0.769 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.463 0.796 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.652 -0.752 0.804 1.00 0.00 H new ATOM 0 HG LEU A 19 1.147 0.241 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.258 2.684 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.131 1.950 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.379 2.855 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.107 1.715 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.507 1.844 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.341 0.273 1.940 1.00 0.00 H new ATOM 304 N GLN A 20 -1.493 -2.415 -1.791 1.00 0.00 N ATOM 305 CA GLN A 20 -0.951 -3.522 -2.583 1.00 0.00 C ATOM 306 C GLN A 20 -1.760 -3.711 -3.870 1.00 0.00 C ATOM 307 O GLN A 20 -1.244 -4.221 -4.867 1.00 0.00 O ATOM 308 CB GLN A 20 -0.944 -4.820 -1.759 1.00 0.00 C ATOM 309 CG GLN A 20 -0.284 -6.011 -2.462 1.00 0.00 C ATOM 310 CD GLN A 20 1.246 -6.019 -2.399 1.00 0.00 C ATOM 311 OE1 GLN A 20 1.878 -4.851 -2.351 1.00 0.00 O flip ATOM 312 NE2 GLN A 20 1.856 -7.091 -2.401 1.00 0.00 N flip ATOM 0 H GLN A 20 -2.307 -2.659 -1.227 1.00 0.00 H new ATOM 0 HA GLN A 20 0.076 -3.278 -2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.426 -4.636 -0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.972 -5.084 -1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.658 -6.933 -2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.592 -6.015 -3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.341 -7.971 -2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.875 -7.098 -2.365 1.00 0.00 H new ATOM 321 N ASP A 21 -3.023 -3.290 -3.846 1.00 0.00 N ATOM 322 CA ASP A 21 -3.904 -3.425 -5.008 1.00 0.00 C ATOM 323 C ASP A 21 -3.460 -2.472 -6.121 1.00 0.00 C ATOM 324 O ASP A 21 -3.186 -1.301 -5.856 1.00 0.00 O ATOM 325 CB ASP A 21 -5.362 -3.137 -4.613 1.00 0.00 C ATOM 326 CG ASP A 21 -6.336 -3.382 -5.757 1.00 0.00 C ATOM 327 OD1 ASP A 21 -6.725 -4.549 -5.970 1.00 0.00 O ATOM 328 OD2 ASP A 21 -6.706 -2.416 -6.455 1.00 0.00 O ATOM 0 H ASP A 21 -3.461 -2.852 -3.035 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.840 -4.449 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.636 -3.766 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.448 -2.102 -4.283 1.00 0.00 H new ATOM 333 N PRO A 22 -3.368 -2.959 -7.376 1.00 0.00 N ATOM 334 CA PRO A 22 -2.913 -2.141 -8.512 1.00 0.00 C ATOM 335 C PRO A 22 -3.725 -0.855 -8.677 1.00 0.00 C ATOM 336 O PRO A 22 -3.165 0.243 -8.729 1.00 0.00 O ATOM 337 CB PRO A 22 -3.108 -3.068 -9.724 1.00 0.00 C ATOM 338 CG PRO A 22 -3.067 -4.445 -9.155 1.00 0.00 C ATOM 339 CD PRO A 22 -3.685 -4.341 -7.787 1.00 0.00 C ATOM 0 HA PRO A 22 -1.885 -1.803 -8.380 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.057 -2.873 -10.223 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.322 -2.922 -10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.620 -5.144 -9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.043 -4.813 -9.095 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.761 -4.515 -7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.263 -5.073 -7.098 1.00 0.00 H new ATOM 347 N LEU A 23 -5.047 -0.996 -8.740 1.00 0.00 N ATOM 348 CA LEU A 23 -5.928 0.152 -8.938 1.00 0.00 C ATOM 349 C LEU A 23 -5.945 1.016 -7.686 1.00 0.00 C ATOM 350 O LEU A 23 -5.948 2.247 -7.767 1.00 0.00 O ATOM 351 CB LEU A 23 -7.353 -0.305 -9.287 1.00 0.00 C ATOM 352 CG LEU A 23 -7.491 -1.056 -10.622 1.00 0.00 C ATOM 353 CD1 LEU A 23 -8.939 -1.475 -10.862 1.00 0.00 C ATOM 354 CD2 LEU A 23 -6.976 -0.199 -11.778 1.00 0.00 C ATOM 0 H LEU A 23 -5.530 -1.890 -8.657 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.545 0.740 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.717 -0.949 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.002 0.570 -9.312 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.883 -1.959 -10.569 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.012 -2.004 -11.812 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.267 -2.131 -10.055 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.574 -0.590 -10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.082 -0.748 -12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.553 0.724 -11.832 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.925 0.039 -11.614 1.00 0.00 H new ATOM 366 N GLY A 24 -5.939 0.353 -6.537 1.00 0.00 N ATOM 367 CA GLY A 24 -5.928 1.047 -5.267 1.00 0.00 C ATOM 368 C GLY A 24 -4.745 1.980 -5.137 1.00 0.00 C ATOM 369 O GLY A 24 -4.913 3.187 -4.961 1.00 0.00 O ATOM 0 H GLY A 24 -5.942 -0.664 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.851 1.616 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.905 0.318 -4.457 1.00 0.00 H new ATOM 373 N LEU A 25 -3.548 1.417 -5.245 1.00 0.00 N ATOM 374 CA LEU A 25 -2.313 2.183 -5.126 1.00 0.00 C ATOM 375 C LEU A 25 -2.274 3.289 -6.183 1.00 0.00 C ATOM 376 O LEU A 25 -1.884 4.418 -5.895 1.00 0.00 O ATOM 377 CB LEU A 25 -1.089 1.258 -5.285 1.00 0.00 C ATOM 378 CG LEU A 25 0.128 1.579 -4.389 1.00 0.00 C ATOM 379 CD1 LEU A 25 1.330 0.730 -4.794 1.00 0.00 C ATOM 380 CD2 LEU A 25 0.484 3.066 -4.418 1.00 0.00 C ATOM 0 H LEU A 25 -3.406 0.422 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.281 2.638 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.404 0.235 -5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.767 1.291 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.148 1.332 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.178 0.970 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.082 -0.326 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.590 0.939 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.345 3.247 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.725 3.362 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.364 3.650 -4.062 1.00 0.00 H new ATOM 392 N ALA A 26 -2.694 2.953 -7.401 1.00 0.00 N ATOM 393 CA ALA A 26 -2.659 3.896 -8.517 1.00 0.00 C ATOM 394 C ALA A 26 -3.459 5.158 -8.201 1.00 0.00 C ATOM 395 O ALA A 26 -2.922 6.267 -8.243 1.00 0.00 O ATOM 396 CB ALA A 26 -3.178 3.240 -9.790 1.00 0.00 C ATOM 0 H ALA A 26 -3.063 2.033 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.621 4.188 -8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.144 3.958 -10.609 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.556 2.379 -10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.206 2.912 -9.637 1.00 0.00 H new ATOM 402 N TYR A 27 -4.740 4.984 -7.873 1.00 0.00 N ATOM 403 CA TYR A 27 -5.607 6.114 -7.537 1.00 0.00 C ATOM 404 C TYR A 27 -5.125 6.796 -6.263 1.00 0.00 C ATOM 405 O TYR A 27 -5.105 8.024 -6.174 1.00 0.00 O ATOM 406 CB TYR A 27 -7.066 5.656 -7.381 1.00 0.00 C ATOM 407 CG TYR A 27 -7.764 5.368 -8.702 1.00 0.00 C ATOM 408 CD1 TYR A 27 -7.376 4.296 -9.501 1.00 0.00 C ATOM 409 CD2 TYR A 27 -8.814 6.168 -9.150 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.006 4.033 -10.702 1.00 0.00 C ATOM 411 CE2 TYR A 27 -9.450 5.908 -10.350 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.042 4.841 -11.122 1.00 0.00 C ATOM 413 OH TYR A 27 -9.673 4.581 -12.320 1.00 0.00 O ATOM 0 H TYR A 27 -5.199 4.074 -7.833 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.560 6.833 -8.355 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.091 4.758 -6.764 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.623 6.425 -6.846 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.567 3.658 -9.176 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.136 7.006 -8.549 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.689 3.198 -11.309 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.263 6.538 -10.681 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.381 5.243 -12.467 1.00 0.00 H new ATOM 423 N PHE A 28 -4.719 5.991 -5.286 1.00 0.00 N ATOM 424 CA PHE A 28 -4.197 6.502 -4.022 1.00 0.00 C ATOM 425 C PHE A 28 -3.003 7.422 -4.280 1.00 0.00 C ATOM 426 O PHE A 28 -2.840 8.450 -3.622 1.00 0.00 O ATOM 427 CB PHE A 28 -3.810 5.325 -3.113 1.00 0.00 C ATOM 428 CG PHE A 28 -3.256 5.719 -1.767 1.00 0.00 C ATOM 429 CD1 PHE A 28 -3.926 6.626 -0.958 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.067 5.174 -1.310 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.418 6.980 0.278 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.557 5.524 -0.076 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.231 6.429 0.719 1.00 0.00 C ATOM 0 H PHE A 28 -4.742 4.973 -5.346 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.966 7.088 -3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.689 4.699 -2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.070 4.714 -3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.855 7.060 -1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.533 4.467 -1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.949 7.687 0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.630 5.089 0.268 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.831 6.705 1.683 1.00 0.00 H new ATOM 443 N THR A 29 -2.193 7.058 -5.267 1.00 0.00 N ATOM 444 CA THR A 29 -1.055 7.871 -5.673 1.00 0.00 C ATOM 445 C THR A 29 -1.535 9.153 -6.360 1.00 0.00 C ATOM 446 O THR A 29 -1.074 10.247 -6.033 1.00 0.00 O ATOM 447 CB THR A 29 -0.117 7.080 -6.616 1.00 0.00 C ATOM 448 OG1 THR A 29 0.434 5.954 -5.920 1.00 0.00 O ATOM 449 CG2 THR A 29 1.016 7.949 -7.153 1.00 0.00 C ATOM 0 H THR A 29 -2.306 6.198 -5.804 1.00 0.00 H new ATOM 0 HA THR A 29 -0.493 8.138 -4.778 1.00 0.00 H new ATOM 0 HB THR A 29 -0.712 6.742 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.258 5.270 -5.805 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.650 7.354 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.599 8.787 -7.712 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.610 8.328 -6.321 1.00 0.00 H new ATOM 457 N GLU A 30 -2.485 9.009 -7.288 1.00 0.00 N ATOM 458 CA GLU A 30 -3.022 10.148 -8.038 1.00 0.00 C ATOM 459 C GLU A 30 -3.528 11.238 -7.092 1.00 0.00 C ATOM 460 O GLU A 30 -3.138 12.404 -7.203 1.00 0.00 O ATOM 461 CB GLU A 30 -4.152 9.686 -8.975 1.00 0.00 C ATOM 462 CG GLU A 30 -3.691 8.725 -10.067 1.00 0.00 C ATOM 463 CD GLU A 30 -4.826 8.250 -10.964 1.00 0.00 C ATOM 464 OE1 GLU A 30 -5.131 8.937 -11.966 1.00 0.00 O ATOM 465 OE2 GLU A 30 -5.415 7.185 -10.684 1.00 0.00 O ATOM 0 H GLU A 30 -2.899 8.111 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.216 10.569 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.928 9.202 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.605 10.561 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.934 9.216 -10.679 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.215 7.860 -9.604 1.00 0.00 H new ATOM 472 N PHE A 31 -4.391 10.848 -6.155 1.00 0.00 N ATOM 473 CA PHE A 31 -4.928 11.775 -5.156 1.00 0.00 C ATOM 474 C PHE A 31 -3.787 12.430 -4.375 1.00 0.00 C ATOM 475 O PHE A 31 -3.730 13.653 -4.229 1.00 0.00 O ATOM 476 CB PHE A 31 -5.850 11.042 -4.161 1.00 0.00 C ATOM 477 CG PHE A 31 -7.048 10.342 -4.764 1.00 0.00 C ATOM 478 CD1 PHE A 31 -7.149 10.115 -6.131 1.00 0.00 C ATOM 479 CD2 PHE A 31 -8.071 9.888 -3.944 1.00 0.00 C ATOM 480 CE1 PHE A 31 -8.238 9.453 -6.660 1.00 0.00 C ATOM 481 CE2 PHE A 31 -9.164 9.229 -4.471 1.00 0.00 C ATOM 482 CZ PHE A 31 -9.246 9.009 -5.829 1.00 0.00 C ATOM 0 H PHE A 31 -4.735 9.892 -6.066 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.503 12.535 -5.685 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.256 10.305 -3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.207 11.764 -3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.365 10.461 -6.788 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.012 10.052 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.301 9.282 -7.725 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.954 8.886 -3.819 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.098 8.490 -6.242 1.00 0.00 H new ATOM 492 N LEU A 32 -2.872 11.591 -3.900 1.00 0.00 N ATOM 493 CA LEU A 32 -1.793 12.019 -3.014 1.00 0.00 C ATOM 494 C LEU A 32 -0.785 12.919 -3.745 1.00 0.00 C ATOM 495 O LEU A 32 -0.064 13.701 -3.118 1.00 0.00 O ATOM 496 CB LEU A 32 -1.109 10.777 -2.421 1.00 0.00 C ATOM 497 CG LEU A 32 -0.119 11.033 -1.275 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.778 11.805 -0.139 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.454 9.715 -0.759 1.00 0.00 C ATOM 0 H LEU A 32 -2.857 10.595 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.213 12.617 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.882 10.098 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.580 10.261 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 32 0.697 11.641 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.052 11.971 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.135 12.766 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.619 11.232 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.153 9.915 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.356 9.085 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.974 9.203 -1.568 1.00 0.00 H new ATOM 511 N LYS A 33 -0.736 12.811 -5.073 1.00 0.00 N ATOM 512 CA LYS A 33 0.118 13.685 -5.882 1.00 0.00 C ATOM 513 C LYS A 33 -0.498 15.078 -5.984 1.00 0.00 C ATOM 514 O LYS A 33 0.215 16.078 -6.082 1.00 0.00 O ATOM 515 CB LYS A 33 0.344 13.100 -7.291 1.00 0.00 C ATOM 516 CG LYS A 33 1.203 11.837 -7.301 1.00 0.00 C ATOM 517 CD LYS A 33 1.471 11.318 -8.715 1.00 0.00 C ATOM 518 CE LYS A 33 2.286 12.305 -9.546 1.00 0.00 C ATOM 519 NZ LYS A 33 2.702 11.720 -10.851 1.00 0.00 N ATOM 0 H LYS A 33 -1.274 12.131 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 33 1.087 13.758 -5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.623 12.875 -7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.818 13.856 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.153 12.044 -6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.706 11.060 -6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.003 10.368 -8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.522 11.122 -9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.696 13.205 -9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.170 12.608 -8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.253 12.421 -11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.286 10.876 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.858 11.454 -11.397 1.00 0.00 H new ATOM 533 N LYS A 34 -1.827 15.136 -5.933 1.00 0.00 N ATOM 534 CA LYS A 34 -2.551 16.399 -6.070 1.00 0.00 C ATOM 535 C LYS A 34 -2.274 17.316 -4.876 1.00 0.00 C ATOM 536 O LYS A 34 -2.067 18.520 -5.042 1.00 0.00 O ATOM 537 CB LYS A 34 -4.058 16.135 -6.211 1.00 0.00 C ATOM 538 CG LYS A 34 -4.887 17.390 -6.487 1.00 0.00 C ATOM 539 CD LYS A 34 -6.358 17.059 -6.731 1.00 0.00 C ATOM 540 CE LYS A 34 -6.536 16.113 -7.915 1.00 0.00 C ATOM 541 NZ LYS A 34 -7.969 15.843 -8.201 1.00 0.00 N ATOM 0 H LYS A 34 -2.426 14.322 -5.798 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.200 16.902 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.217 15.422 -7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.421 15.666 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.804 18.073 -5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.483 17.908 -7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.782 16.605 -5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.912 17.979 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.065 16.545 -8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.024 15.173 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.045 15.196 -9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.413 15.407 -7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.453 16.736 -8.424 1.00 0.00 H new ATOM 555 N GLU A 35 -2.260 16.739 -3.676 1.00 0.00 N ATOM 556 CA GLU A 35 -1.960 17.500 -2.459 1.00 0.00 C ATOM 557 C GLU A 35 -0.447 17.607 -2.247 1.00 0.00 C ATOM 558 O GLU A 35 0.016 18.278 -1.320 1.00 0.00 O ATOM 559 CB GLU A 35 -2.609 16.838 -1.235 1.00 0.00 C ATOM 560 CG GLU A 35 -2.115 15.420 -0.966 1.00 0.00 C ATOM 561 CD GLU A 35 -2.556 14.897 0.392 1.00 0.00 C ATOM 562 OE1 GLU A 35 -1.881 15.206 1.398 1.00 0.00 O ATOM 563 OE2 GLU A 35 -3.576 14.182 0.469 1.00 0.00 O ATOM 0 H GLU A 35 -2.452 15.750 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.371 18.502 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.415 17.453 -0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.690 16.815 -1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.487 14.755 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.027 15.401 -1.023 1.00 0.00 H new ATOM 570 N PHE A 36 0.304 16.933 -3.116 1.00 0.00 N ATOM 571 CA PHE A 36 1.761 16.868 -3.034 1.00 0.00 C ATOM 572 C PHE A 36 2.200 16.260 -1.705 1.00 0.00 C ATOM 573 O PHE A 36 2.569 16.967 -0.763 1.00 0.00 O ATOM 574 CB PHE A 36 2.412 18.246 -3.248 1.00 0.00 C ATOM 575 CG PHE A 36 3.922 18.188 -3.336 1.00 0.00 C ATOM 576 CD1 PHE A 36 4.547 17.833 -4.524 1.00 0.00 C ATOM 577 CD2 PHE A 36 4.716 18.479 -2.232 1.00 0.00 C ATOM 578 CE1 PHE A 36 5.927 17.769 -4.608 1.00 0.00 C ATOM 579 CE2 PHE A 36 6.095 18.417 -2.313 1.00 0.00 C ATOM 580 CZ PHE A 36 6.700 18.061 -3.501 1.00 0.00 C ATOM 0 H PHE A 36 -0.085 16.413 -3.903 1.00 0.00 H new ATOM 0 HA PHE A 36 2.104 16.221 -3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.018 18.688 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.128 18.906 -2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.949 17.604 -5.393 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.249 18.757 -1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.399 17.491 -5.539 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.698 18.647 -1.447 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.777 18.011 -3.565 1.00 0.00 H new ATOM 590 N SER A 37 2.080 14.947 -1.621 1.00 0.00 N ATOM 591 CA SER A 37 2.597 14.185 -0.495 1.00 0.00 C ATOM 592 C SER A 37 2.821 12.738 -0.937 1.00 0.00 C ATOM 593 O SER A 37 2.950 11.823 -0.120 1.00 0.00 O ATOM 594 CB SER A 37 1.630 14.262 0.695 1.00 0.00 C ATOM 595 OG SER A 37 2.190 13.671 1.859 1.00 0.00 O ATOM 0 H SER A 37 1.621 14.377 -2.332 1.00 0.00 H new ATOM 0 HA SER A 37 3.548 14.607 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.383 15.304 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.698 13.757 0.441 1.00 0.00 H new ATOM 0 HG SER A 37 2.533 12.779 1.640 1.00 0.00 H new ATOM 601 N ALA A 38 2.913 12.554 -2.256 1.00 0.00 N ATOM 602 CA ALA A 38 3.035 11.229 -2.856 1.00 0.00 C ATOM 603 C ALA A 38 4.423 10.655 -2.627 1.00 0.00 C ATOM 604 O ALA A 38 4.692 9.500 -2.960 1.00 0.00 O ATOM 605 CB ALA A 38 2.729 11.296 -4.343 1.00 0.00 C ATOM 0 H ALA A 38 2.905 13.317 -2.933 1.00 0.00 H new ATOM 0 HA ALA A 38 2.312 10.569 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.823 10.302 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.713 11.661 -4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.431 11.973 -4.829 1.00 0.00 H new ATOM 611 N GLU A 39 5.290 11.475 -2.047 1.00 0.00 N ATOM 612 CA GLU A 39 6.661 11.074 -1.751 1.00 0.00 C ATOM 613 C GLU A 39 6.658 9.805 -0.902 1.00 0.00 C ATOM 614 O GLU A 39 7.549 8.963 -1.014 1.00 0.00 O ATOM 615 CB GLU A 39 7.422 12.197 -1.025 1.00 0.00 C ATOM 616 CG GLU A 39 7.429 13.538 -1.764 1.00 0.00 C ATOM 617 CD GLU A 39 6.118 14.305 -1.636 1.00 0.00 C ATOM 618 OE1 GLU A 39 5.910 14.959 -0.590 1.00 0.00 O ATOM 619 OE2 GLU A 39 5.284 14.239 -2.565 1.00 0.00 O ATOM 0 H GLU A 39 5.066 12.431 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 39 7.172 10.876 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.979 12.341 -0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.452 11.878 -0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.241 14.154 -1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.637 13.362 -2.819 1.00 0.00 H new ATOM 626 N ASN A 40 5.623 9.677 -0.079 1.00 0.00 N ATOM 627 CA ASN A 40 5.443 8.511 0.778 1.00 0.00 C ATOM 628 C ASN A 40 5.206 7.250 -0.057 1.00 0.00 C ATOM 629 O ASN A 40 5.955 6.278 0.046 1.00 0.00 O ATOM 630 CB ASN A 40 4.261 8.735 1.736 1.00 0.00 C ATOM 631 CG ASN A 40 4.499 9.879 2.713 1.00 0.00 C ATOM 632 OD1 ASN A 40 5.621 10.102 3.168 1.00 0.00 O ATOM 633 ND2 ASN A 40 3.445 10.619 3.026 1.00 0.00 N ATOM 0 H ASN A 40 4.887 10.377 0.013 1.00 0.00 H new ATOM 0 HA ASN A 40 6.355 8.373 1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.363 8.941 1.154 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.075 7.818 2.296 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.547 11.407 3.666 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.532 10.401 2.627 1.00 0.00 H new ATOM 640 N VAL A 41 4.174 7.281 -0.905 1.00 0.00 N ATOM 641 CA VAL A 41 3.783 6.098 -1.673 1.00 0.00 C ATOM 642 C VAL A 41 4.855 5.696 -2.676 1.00 0.00 C ATOM 643 O VAL A 41 5.120 4.511 -2.851 1.00 0.00 O ATOM 644 CB VAL A 41 2.432 6.285 -2.411 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.301 6.467 -1.412 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.484 7.458 -3.388 1.00 0.00 C ATOM 0 H VAL A 41 3.599 8.106 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 41 3.663 5.300 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 41 2.242 5.382 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.360 6.597 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.236 5.587 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.495 7.348 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.520 7.559 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.709 8.375 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.260 7.278 -4.132 1.00 0.00 H new ATOM 656 N THR A 42 5.480 6.672 -3.325 1.00 0.00 N ATOM 657 CA THR A 42 6.504 6.380 -4.319 1.00 0.00 C ATOM 658 C THR A 42 7.758 5.812 -3.644 1.00 0.00 C ATOM 659 O THR A 42 8.396 4.903 -4.176 1.00 0.00 O ATOM 660 CB THR A 42 6.846 7.625 -5.178 1.00 0.00 C ATOM 661 OG1 THR A 42 7.820 7.293 -6.179 1.00 0.00 O ATOM 662 CG2 THR A 42 7.365 8.769 -4.323 1.00 0.00 C ATOM 0 H THR A 42 5.297 7.665 -3.182 1.00 0.00 H new ATOM 0 HA THR A 42 6.104 5.626 -4.997 1.00 0.00 H new ATOM 0 HB THR A 42 5.924 7.949 -5.661 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.024 8.089 -6.713 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.594 9.624 -4.959 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.606 9.052 -3.594 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.268 8.453 -3.801 1.00 0.00 H new ATOM 670 N PHE A 43 8.088 6.327 -2.455 1.00 0.00 N ATOM 671 CA PHE A 43 9.175 5.769 -1.649 1.00 0.00 C ATOM 672 C PHE A 43 8.849 4.324 -1.271 1.00 0.00 C ATOM 673 O PHE A 43 9.696 3.432 -1.364 1.00 0.00 O ATOM 674 CB PHE A 43 9.396 6.618 -0.383 1.00 0.00 C ATOM 675 CG PHE A 43 10.440 6.066 0.561 1.00 0.00 C ATOM 676 CD1 PHE A 43 11.794 6.212 0.284 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.068 5.400 1.722 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.751 5.707 1.145 1.00 0.00 C ATOM 679 CE2 PHE A 43 11.023 4.893 2.584 1.00 0.00 C ATOM 680 CZ PHE A 43 12.366 5.047 2.296 1.00 0.00 C ATOM 0 H PHE A 43 7.618 7.127 -2.032 1.00 0.00 H new ATOM 0 HA PHE A 43 10.094 5.783 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.688 7.625 -0.681 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.450 6.706 0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.102 6.726 -0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.020 5.277 1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.800 5.829 0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.719 4.377 3.483 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.113 4.652 2.969 1.00 0.00 H new ATOM 690 N TRP A 44 7.601 4.104 -0.862 1.00 0.00 N ATOM 691 CA TRP A 44 7.123 2.772 -0.501 1.00 0.00 C ATOM 692 C TRP A 44 7.210 1.839 -1.710 1.00 0.00 C ATOM 693 O TRP A 44 7.659 0.696 -1.601 1.00 0.00 O ATOM 694 CB TRP A 44 5.673 2.850 0.010 1.00 0.00 C ATOM 695 CG TRP A 44 5.169 1.563 0.596 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.291 1.158 1.892 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.462 0.518 -0.085 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.728 -0.081 2.056 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.203 -0.495 0.860 1.00 0.00 C ATOM 700 CE3 TRP A 44 4.025 0.337 -1.401 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.531 -1.668 0.530 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.355 -0.827 -1.726 1.00 0.00 C ATOM 703 CH2 TRP A 44 3.111 -1.815 -0.764 1.00 0.00 C ATOM 0 H TRP A 44 6.898 4.838 -0.772 1.00 0.00 H new ATOM 0 HA TRP A 44 7.752 2.374 0.295 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.605 3.634 0.765 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.022 3.143 -0.814 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.763 1.731 2.676 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.704 -0.610 2.928 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.208 1.093 -2.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.348 -2.435 1.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.014 -0.977 -2.740 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.580 -2.711 -1.049 1.00 0.00 H new ATOM 714 N LYS A 45 6.793 2.355 -2.864 1.00 0.00 N ATOM 715 CA LYS A 45 6.809 1.603 -4.117 1.00 0.00 C ATOM 716 C LYS A 45 8.237 1.285 -4.546 1.00 0.00 C ATOM 717 O LYS A 45 8.504 0.232 -5.128 1.00 0.00 O ATOM 718 CB LYS A 45 6.105 2.400 -5.226 1.00 0.00 C ATOM 719 CG LYS A 45 4.591 2.500 -5.066 1.00 0.00 C ATOM 720 CD LYS A 45 3.955 3.407 -6.125 1.00 0.00 C ATOM 721 CE LYS A 45 4.072 2.848 -7.547 1.00 0.00 C ATOM 722 NZ LYS A 45 5.480 2.820 -8.039 1.00 0.00 N ATOM 0 H LYS A 45 6.435 3.305 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 45 6.278 0.666 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.522 3.407 -5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.327 1.936 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.154 1.504 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.357 2.884 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.902 3.553 -5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.429 4.388 -6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.663 1.838 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.467 3.453 -8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.508 3.136 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.064 3.454 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.851 1.851 -7.974 1.00 0.00 H new ATOM 736 N ALA A 46 9.145 2.209 -4.265 1.00 0.00 N ATOM 737 CA ALA A 46 10.551 2.042 -4.610 1.00 0.00 C ATOM 738 C ALA A 46 11.165 0.885 -3.826 1.00 0.00 C ATOM 739 O ALA A 46 11.872 0.048 -4.386 1.00 0.00 O ATOM 740 CB ALA A 46 11.311 3.337 -4.357 1.00 0.00 C ATOM 0 H ALA A 46 8.931 3.089 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 46 10.624 1.802 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.360 3.200 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.886 4.134 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.232 3.606 -3.304 1.00 0.00 H new ATOM 746 N CYS A 47 10.874 0.831 -2.530 1.00 0.00 N ATOM 747 CA CYS A 47 11.357 -0.255 -1.684 1.00 0.00 C ATOM 748 C CYS A 47 10.590 -1.544 -1.984 1.00 0.00 C ATOM 749 O CYS A 47 11.118 -2.645 -1.822 1.00 0.00 O ATOM 750 CB CYS A 47 11.228 0.117 -0.205 1.00 0.00 C ATOM 751 SG CYS A 47 11.863 -1.142 0.925 1.00 0.00 S ATOM 0 H CYS A 47 10.307 1.525 -2.043 1.00 0.00 H new ATOM 0 HA CYS A 47 12.412 -0.422 -1.903 1.00 0.00 H new ATOM 0 HB2 CYS A 47 11.760 1.052 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 47 10.178 0.300 0.023 1.00 0.00 H new ATOM 0 HG CYS A 47 10.870 -1.807 1.436 1.00 0.00 H new ATOM 757 N GLU A 48 9.343 -1.399 -2.429 1.00 0.00 N ATOM 758 CA GLU A 48 8.541 -2.539 -2.871 1.00 0.00 C ATOM 759 C GLU A 48 9.189 -3.171 -4.110 1.00 0.00 C ATOM 760 O GLU A 48 9.125 -4.383 -4.306 1.00 0.00 O ATOM 761 CB GLU A 48 7.088 -2.098 -3.143 1.00 0.00 C ATOM 762 CG GLU A 48 6.202 -3.155 -3.810 1.00 0.00 C ATOM 763 CD GLU A 48 5.916 -4.364 -2.923 1.00 0.00 C ATOM 764 OE1 GLU A 48 6.700 -5.336 -2.964 1.00 0.00 O ATOM 765 OE2 GLU A 48 4.899 -4.353 -2.198 1.00 0.00 O ATOM 0 H GLU A 48 8.865 -0.500 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 48 8.508 -3.293 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.630 -1.807 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.106 -1.210 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.257 -2.695 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.684 -3.494 -4.727 1.00 0.00 H new ATOM 772 N ARG A 49 9.845 -2.343 -4.929 1.00 0.00 N ATOM 773 CA ARG A 49 10.633 -2.850 -6.055 1.00 0.00 C ATOM 774 C ARG A 49 11.745 -3.767 -5.551 1.00 0.00 C ATOM 775 O ARG A 49 11.966 -4.850 -6.098 1.00 0.00 O ATOM 776 CB ARG A 49 11.259 -1.703 -6.862 1.00 0.00 C ATOM 777 CG ARG A 49 10.288 -0.948 -7.759 1.00 0.00 C ATOM 778 CD ARG A 49 11.010 0.146 -8.539 1.00 0.00 C ATOM 779 NE ARG A 49 10.178 0.737 -9.588 1.00 0.00 N ATOM 780 CZ ARG A 49 10.635 1.588 -10.506 1.00 0.00 C ATOM 781 NH1 ARG A 49 11.914 1.957 -10.494 1.00 0.00 N ATOM 782 NH2 ARG A 49 9.816 2.057 -11.439 1.00 0.00 N ATOM 0 H ARG A 49 9.846 -1.327 -4.834 1.00 0.00 H new ATOM 0 HA ARG A 49 9.957 -3.407 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.715 -0.996 -6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.062 -2.107 -7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.812 -1.641 -8.452 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.495 -0.507 -7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.328 0.928 -7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.912 -0.269 -8.988 1.00 0.00 H new ATOM 0 HE ARG A 49 9.191 0.483 -9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.545 1.588 -9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.263 2.608 -11.197 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.838 1.766 -11.453 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.164 2.708 -12.142 1.00 0.00 H new ATOM 796 N PHE A 50 12.422 -3.324 -4.490 1.00 0.00 N ATOM 797 CA PHE A 50 13.545 -4.060 -3.903 1.00 0.00 C ATOM 798 C PHE A 50 13.132 -5.490 -3.565 1.00 0.00 C ATOM 799 O PHE A 50 13.909 -6.432 -3.730 1.00 0.00 O ATOM 800 CB PHE A 50 14.056 -3.330 -2.643 1.00 0.00 C ATOM 801 CG PHE A 50 15.381 -2.640 -2.833 1.00 0.00 C ATOM 802 CD1 PHE A 50 15.453 -1.392 -3.431 1.00 0.00 C ATOM 803 CD2 PHE A 50 16.556 -3.245 -2.415 1.00 0.00 C ATOM 804 CE1 PHE A 50 16.671 -0.762 -3.605 1.00 0.00 C ATOM 805 CE2 PHE A 50 17.775 -2.618 -2.588 1.00 0.00 C ATOM 806 CZ PHE A 50 17.831 -1.378 -3.183 1.00 0.00 C ATOM 0 H PHE A 50 12.209 -2.447 -4.014 1.00 0.00 H new ATOM 0 HA PHE A 50 14.353 -4.104 -4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.314 -2.593 -2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.146 -4.050 -1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.548 -0.906 -3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.518 -4.218 -1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 50 16.714 0.211 -4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 50 18.683 -3.100 -2.257 1.00 0.00 H new ATOM 0 HZ PHE A 50 18.783 -0.887 -3.320 1.00 0.00 H new ATOM 816 N GLN A 51 11.890 -5.634 -3.122 1.00 0.00 N ATOM 817 CA GLN A 51 11.329 -6.931 -2.760 1.00 0.00 C ATOM 818 C GLN A 51 11.409 -7.907 -3.936 1.00 0.00 C ATOM 819 O GLN A 51 11.721 -9.088 -3.763 1.00 0.00 O ATOM 820 CB GLN A 51 9.869 -6.751 -2.327 1.00 0.00 C ATOM 821 CG GLN A 51 9.685 -5.772 -1.173 1.00 0.00 C ATOM 822 CD GLN A 51 10.222 -6.307 0.141 1.00 0.00 C ATOM 823 OE1 GLN A 51 11.389 -6.105 0.487 1.00 0.00 O ATOM 824 NE2 GLN A 51 9.374 -7.001 0.881 1.00 0.00 N ATOM 0 H GLN A 51 11.242 -4.855 -3.003 1.00 0.00 H new ATOM 0 HA GLN A 51 11.908 -7.345 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.287 -6.405 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.464 -7.720 -2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.189 -4.836 -1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.625 -5.544 -1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.417 -7.146 0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.677 -7.391 1.773 1.00 0.00 H new ATOM 833 N GLN A 52 11.141 -7.395 -5.134 1.00 0.00 N ATOM 834 CA GLN A 52 11.097 -8.221 -6.342 1.00 0.00 C ATOM 835 C GLN A 52 12.480 -8.376 -6.976 1.00 0.00 C ATOM 836 O GLN A 52 12.684 -9.270 -7.799 1.00 0.00 O ATOM 837 CB GLN A 52 10.115 -7.624 -7.364 1.00 0.00 C ATOM 838 CG GLN A 52 8.643 -7.926 -7.081 1.00 0.00 C ATOM 839 CD GLN A 52 8.200 -7.512 -5.687 1.00 0.00 C ATOM 840 OE1 GLN A 52 8.244 -8.306 -4.745 1.00 0.00 O ATOM 841 NE2 GLN A 52 7.777 -6.268 -5.546 1.00 0.00 N ATOM 0 H GLN A 52 10.950 -6.406 -5.297 1.00 0.00 H new ATOM 0 HA GLN A 52 10.752 -9.212 -6.046 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.252 -6.543 -7.392 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.367 -8.003 -8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.026 -7.412 -7.818 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.468 -8.994 -7.208 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.756 -5.642 -6.351 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.472 -5.934 -4.632 1.00 0.00 H new ATOM 850 N ILE A 53 13.427 -7.517 -6.606 1.00 0.00 N ATOM 851 CA ILE A 53 14.770 -7.581 -7.184 1.00 0.00 C ATOM 852 C ILE A 53 15.602 -8.647 -6.463 1.00 0.00 C ATOM 853 O ILE A 53 15.862 -8.529 -5.263 1.00 0.00 O ATOM 854 CB ILE A 53 15.510 -6.219 -7.114 1.00 0.00 C ATOM 855 CG1 ILE A 53 14.654 -5.101 -7.737 1.00 0.00 C ATOM 856 CG2 ILE A 53 16.863 -6.312 -7.825 1.00 0.00 C ATOM 857 CD1 ILE A 53 15.277 -3.722 -7.635 1.00 0.00 C ATOM 0 H ILE A 53 13.294 -6.776 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 53 14.652 -7.842 -8.236 1.00 0.00 H new ATOM 0 HB ILE A 53 15.681 -5.975 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.479 -5.333 -8.787 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.680 -5.086 -7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 53 17.371 -5.349 -7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 53 17.475 -7.074 -7.344 1.00 0.00 H new ATOM 0 HG23 ILE A 53 16.707 -6.579 -8.870 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.615 -2.989 -8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.427 -3.467 -6.586 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.238 -3.718 -8.150 1.00 0.00 H new ATOM 869 N PRO A 54 16.008 -9.715 -7.178 1.00 0.00 N ATOM 870 CA PRO A 54 16.800 -10.810 -6.598 1.00 0.00 C ATOM 871 C PRO A 54 18.208 -10.362 -6.198 1.00 0.00 C ATOM 872 O PRO A 54 18.776 -9.451 -6.806 1.00 0.00 O ATOM 873 CB PRO A 54 16.864 -11.859 -7.729 1.00 0.00 C ATOM 874 CG PRO A 54 15.814 -11.446 -8.707 1.00 0.00 C ATOM 875 CD PRO A 54 15.728 -9.951 -8.603 1.00 0.00 C ATOM 0 HA PRO A 54 16.352 -11.190 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 54 17.850 -11.877 -8.194 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.673 -12.862 -7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.079 -11.754 -9.719 1.00 0.00 H new ATOM 0 HG3 PRO A 54 14.856 -11.911 -8.473 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.456 -9.457 -9.247 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.744 -9.580 -8.890 1.00 0.00 H new ATOM 883 N ALA A 55 18.769 -11.025 -5.186 1.00 0.00 N ATOM 884 CA ALA A 55 20.119 -10.726 -4.707 1.00 0.00 C ATOM 885 C ALA A 55 21.144 -10.921 -5.823 1.00 0.00 C ATOM 886 O ALA A 55 22.206 -10.296 -5.819 1.00 0.00 O ATOM 887 CB ALA A 55 20.461 -11.607 -3.509 1.00 0.00 C ATOM 0 H ALA A 55 18.305 -11.778 -4.679 1.00 0.00 H new ATOM 0 HA ALA A 55 20.151 -9.682 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 55 21.468 -11.375 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 55 19.748 -11.421 -2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 55 20.411 -12.656 -3.802 1.00 0.00 H new ATOM 893 N SER A 56 20.809 -11.793 -6.773 1.00 0.00 N ATOM 894 CA SER A 56 21.652 -12.057 -7.933 1.00 0.00 C ATOM 895 C SER A 56 21.966 -10.758 -8.676 1.00 0.00 C ATOM 896 O SER A 56 23.079 -10.558 -9.169 1.00 0.00 O ATOM 897 CB SER A 56 20.949 -13.051 -8.870 1.00 0.00 C ATOM 898 OG SER A 56 21.745 -13.348 -10.005 1.00 0.00 O ATOM 0 H SER A 56 19.945 -12.335 -6.758 1.00 0.00 H new ATOM 0 HA SER A 56 22.592 -12.491 -7.593 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.729 -13.971 -8.328 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.994 -12.636 -9.193 1.00 0.00 H new ATOM 0 HG SER A 56 21.270 -13.984 -10.580 1.00 0.00 H new ATOM 904 N ASP A 57 20.984 -9.866 -8.728 1.00 0.00 N ATOM 905 CA ASP A 57 21.134 -8.592 -9.419 1.00 0.00 C ATOM 906 C ASP A 57 21.645 -7.527 -8.454 1.00 0.00 C ATOM 907 O ASP A 57 21.049 -6.457 -8.318 1.00 0.00 O ATOM 908 CB ASP A 57 19.799 -8.159 -10.043 1.00 0.00 C ATOM 909 CG ASP A 57 19.300 -9.136 -11.097 1.00 0.00 C ATOM 910 OD1 ASP A 57 19.937 -9.238 -12.168 1.00 0.00 O ATOM 911 OD2 ASP A 57 18.276 -9.809 -10.861 1.00 0.00 O ATOM 0 H ASP A 57 20.070 -10.003 -8.297 1.00 0.00 H new ATOM 0 HA ASP A 57 21.863 -8.713 -10.220 1.00 0.00 H new ATOM 0 HB2 ASP A 57 19.049 -8.064 -9.258 1.00 0.00 H new ATOM 0 HB3 ASP A 57 19.916 -7.173 -10.493 1.00 0.00 H new ATOM 916 N THR A 58 22.762 -7.824 -7.791 1.00 0.00 N ATOM 917 CA THR A 58 23.370 -6.902 -6.836 1.00 0.00 C ATOM 918 C THR A 58 23.631 -5.540 -7.490 1.00 0.00 C ATOM 919 O THR A 58 23.413 -4.490 -6.882 1.00 0.00 O ATOM 920 CB THR A 58 24.699 -7.472 -6.284 1.00 0.00 C ATOM 921 OG1 THR A 58 24.535 -8.858 -5.937 1.00 0.00 O ATOM 922 CG2 THR A 58 25.164 -6.693 -5.055 1.00 0.00 C ATOM 0 H THR A 58 23.267 -8.704 -7.900 1.00 0.00 H new ATOM 0 HA THR A 58 22.671 -6.775 -6.009 1.00 0.00 H new ATOM 0 HB THR A 58 25.455 -7.375 -7.063 1.00 0.00 H new ATOM 0 HG1 THR A 58 23.581 -9.060 -5.839 1.00 0.00 H new ATOM 0 HG21 THR A 58 26.100 -7.116 -4.689 1.00 0.00 H new ATOM 0 HG22 THR A 58 25.318 -5.648 -5.324 1.00 0.00 H new ATOM 0 HG23 THR A 58 24.406 -6.759 -4.274 1.00 0.00 H new ATOM 930 N GLN A 59 24.074 -5.578 -8.746 1.00 0.00 N ATOM 931 CA GLN A 59 24.353 -4.366 -9.513 1.00 0.00 C ATOM 932 C GLN A 59 23.080 -3.535 -9.707 1.00 0.00 C ATOM 933 O GLN A 59 23.120 -2.301 -9.676 1.00 0.00 O ATOM 934 CB GLN A 59 24.963 -4.738 -10.873 1.00 0.00 C ATOM 935 CG GLN A 59 26.319 -5.430 -10.763 1.00 0.00 C ATOM 936 CD GLN A 59 26.810 -5.977 -12.092 1.00 0.00 C ATOM 937 OE1 GLN A 59 27.482 -5.283 -12.856 1.00 0.00 O ATOM 938 NE2 GLN A 59 26.477 -7.229 -12.374 1.00 0.00 N ATOM 0 H GLN A 59 24.248 -6.443 -9.257 1.00 0.00 H new ATOM 0 HA GLN A 59 25.068 -3.760 -8.956 1.00 0.00 H new ATOM 0 HB2 GLN A 59 24.272 -5.392 -11.405 1.00 0.00 H new ATOM 0 HB3 GLN A 59 25.073 -3.834 -11.473 1.00 0.00 H new ATOM 0 HG2 GLN A 59 27.052 -4.724 -10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 59 26.248 -6.246 -10.043 1.00 0.00 H new ATOM 0 HE21 GLN A 59 25.919 -7.769 -11.713 1.00 0.00 H new ATOM 0 HE22 GLN A 59 26.779 -7.652 -13.252 1.00 0.00 H new ATOM 947 N GLN A 60 21.956 -4.224 -9.891 1.00 0.00 N ATOM 948 CA GLN A 60 20.659 -3.567 -10.054 1.00 0.00 C ATOM 949 C GLN A 60 20.213 -2.967 -8.724 1.00 0.00 C ATOM 950 O GLN A 60 19.699 -1.848 -8.673 1.00 0.00 O ATOM 951 CB GLN A 60 19.615 -4.572 -10.567 1.00 0.00 C ATOM 952 CG GLN A 60 18.218 -3.990 -10.789 1.00 0.00 C ATOM 953 CD GLN A 60 18.153 -2.963 -11.913 1.00 0.00 C ATOM 954 OE1 GLN A 60 19.111 -2.235 -12.175 1.00 0.00 O ATOM 955 NE2 GLN A 60 17.016 -2.899 -12.590 1.00 0.00 N ATOM 0 H GLN A 60 21.917 -5.242 -9.931 1.00 0.00 H new ATOM 0 HA GLN A 60 20.755 -2.766 -10.787 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.970 -4.995 -11.507 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.542 -5.394 -9.855 1.00 0.00 H new ATOM 0 HG2 GLN A 60 17.527 -4.803 -11.011 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.877 -3.525 -9.864 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.242 -3.517 -12.347 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.915 -2.232 -13.355 1.00 0.00 H new ATOM 964 N LEU A 61 20.429 -3.725 -7.649 1.00 0.00 N ATOM 965 CA LEU A 61 20.118 -3.269 -6.296 1.00 0.00 C ATOM 966 C LEU A 61 20.839 -1.957 -5.998 1.00 0.00 C ATOM 967 O LEU A 61 20.273 -1.049 -5.396 1.00 0.00 O ATOM 968 CB LEU A 61 20.527 -4.339 -5.269 1.00 0.00 C ATOM 969 CG LEU A 61 19.711 -5.641 -5.310 1.00 0.00 C ATOM 970 CD1 LEU A 61 20.367 -6.719 -4.450 1.00 0.00 C ATOM 971 CD2 LEU A 61 18.279 -5.389 -4.846 1.00 0.00 C ATOM 0 H LEU A 61 20.822 -4.665 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 61 19.043 -3.102 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.578 -4.584 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.444 -3.910 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 61 19.685 -5.994 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.772 -7.631 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 61 21.371 -6.922 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.427 -6.374 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.716 -6.321 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.289 -5.010 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.808 -4.656 -5.501 1.00 0.00 H new ATOM 983 N ALA A 62 22.091 -1.868 -6.442 1.00 0.00 N ATOM 984 CA ALA A 62 22.904 -0.671 -6.233 1.00 0.00 C ATOM 985 C ALA A 62 22.289 0.543 -6.926 1.00 0.00 C ATOM 986 O ALA A 62 22.162 1.615 -6.328 1.00 0.00 O ATOM 987 CB ALA A 62 24.326 -0.903 -6.735 1.00 0.00 C ATOM 0 H ALA A 62 22.566 -2.613 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 62 22.935 -0.468 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.920 -0.004 -6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 62 24.772 -1.736 -6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.303 -1.136 -7.800 1.00 0.00 H new ATOM 993 N GLN A 63 21.899 0.364 -8.184 1.00 0.00 N ATOM 994 CA GLN A 63 21.348 1.459 -8.976 1.00 0.00 C ATOM 995 C GLN A 63 19.979 1.884 -8.448 1.00 0.00 C ATOM 996 O GLN A 63 19.663 3.076 -8.417 1.00 0.00 O ATOM 997 CB GLN A 63 21.247 1.063 -10.456 1.00 0.00 C ATOM 998 CG GLN A 63 22.582 0.679 -11.086 1.00 0.00 C ATOM 999 CD GLN A 63 23.672 1.714 -10.849 1.00 0.00 C ATOM 1000 OE1 GLN A 63 24.430 1.628 -9.880 1.00 0.00 O ATOM 1001 NE2 GLN A 63 23.757 2.701 -11.725 1.00 0.00 N ATOM 0 H GLN A 63 21.954 -0.527 -8.677 1.00 0.00 H new ATOM 0 HA GLN A 63 22.027 2.307 -8.888 1.00 0.00 H new ATOM 0 HB2 GLN A 63 20.557 0.225 -10.551 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.818 1.894 -11.016 1.00 0.00 H new ATOM 0 HG2 GLN A 63 22.906 -0.280 -10.682 1.00 0.00 H new ATOM 0 HG3 GLN A 63 22.445 0.543 -12.159 1.00 0.00 H new ATOM 0 HE21 GLN A 63 23.112 2.739 -12.515 1.00 0.00 H new ATOM 0 HE22 GLN A 63 24.467 3.424 -11.611 1.00 0.00 H new ATOM 1010 N GLU A 64 19.177 0.909 -8.026 1.00 0.00 N ATOM 1011 CA GLU A 64 17.852 1.191 -7.482 1.00 0.00 C ATOM 1012 C GLU A 64 17.980 1.886 -6.126 1.00 0.00 C ATOM 1013 O GLU A 64 17.287 2.863 -5.857 1.00 0.00 O ATOM 1014 CB GLU A 64 17.026 -0.098 -7.360 1.00 0.00 C ATOM 1015 CG GLU A 64 15.577 0.128 -6.917 1.00 0.00 C ATOM 1016 CD GLU A 64 14.791 1.028 -7.866 1.00 0.00 C ATOM 1017 OE1 GLU A 64 14.328 0.537 -8.922 1.00 0.00 O ATOM 1018 OE2 GLU A 64 14.639 2.231 -7.568 1.00 0.00 O ATOM 0 H GLU A 64 19.421 -0.081 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 64 17.329 1.858 -8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.025 -0.609 -8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.513 -0.763 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.073 -0.835 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.573 0.570 -5.921 1.00 0.00 H new ATOM 1025 N ALA A 65 18.894 1.394 -5.289 1.00 0.00 N ATOM 1026 CA ALA A 65 19.167 2.017 -3.992 1.00 0.00 C ATOM 1027 C ALA A 65 19.569 3.473 -4.185 1.00 0.00 C ATOM 1028 O ALA A 65 19.117 4.360 -3.462 1.00 0.00 O ATOM 1029 CB ALA A 65 20.266 1.260 -3.249 1.00 0.00 C ATOM 0 H ALA A 65 19.458 0.567 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 65 18.258 1.977 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.453 1.740 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.951 0.230 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.180 1.270 -3.843 1.00 0.00 H new ATOM 1035 N ARG A 66 20.415 3.705 -5.183 1.00 0.00 N ATOM 1036 CA ARG A 66 20.859 5.049 -5.532 1.00 0.00 C ATOM 1037 C ARG A 66 19.699 5.868 -6.098 1.00 0.00 C ATOM 1038 O ARG A 66 19.613 7.075 -5.876 1.00 0.00 O ATOM 1039 CB ARG A 66 22.013 4.970 -6.542 1.00 0.00 C ATOM 1040 CG ARG A 66 22.528 6.324 -7.017 1.00 0.00 C ATOM 1041 CD ARG A 66 23.785 6.176 -7.867 1.00 0.00 C ATOM 1042 NE ARG A 66 24.903 5.627 -7.092 1.00 0.00 N ATOM 1043 CZ ARG A 66 25.516 4.471 -7.360 1.00 0.00 C ATOM 1044 NH1 ARG A 66 25.121 3.724 -8.384 1.00 0.00 N ATOM 1045 NH2 ARG A 66 26.530 4.073 -6.602 1.00 0.00 N ATOM 0 H ARG A 66 20.810 2.970 -5.770 1.00 0.00 H new ATOM 0 HA ARG A 66 21.215 5.549 -4.631 1.00 0.00 H new ATOM 0 HB2 ARG A 66 22.838 4.419 -6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 66 21.683 4.396 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 66 21.753 6.827 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 66 22.742 6.956 -6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 66 23.576 5.524 -8.715 1.00 0.00 H new ATOM 0 HD3 ARG A 66 24.066 7.148 -8.273 1.00 0.00 H new ATOM 0 HE ARG A 66 25.236 6.166 -6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 66 24.346 4.032 -8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 66 25.593 2.842 -8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 66 26.838 4.649 -5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 66 27.001 3.191 -6.803 1.00 0.00 H new ATOM 1059 N ASN A 67 18.804 5.191 -6.813 1.00 0.00 N ATOM 1060 CA ASN A 67 17.620 5.827 -7.396 1.00 0.00 C ATOM 1061 C ASN A 67 16.656 6.281 -6.296 1.00 0.00 C ATOM 1062 O ASN A 67 16.016 7.330 -6.409 1.00 0.00 O ATOM 1063 CB ASN A 67 16.923 4.856 -8.363 1.00 0.00 C ATOM 1064 CG ASN A 67 15.595 5.381 -8.882 1.00 0.00 C ATOM 1065 OD1 ASN A 67 15.547 6.138 -9.851 1.00 0.00 O ATOM 1066 ND2 ASN A 67 14.503 4.944 -8.272 1.00 0.00 N ATOM 0 H ASN A 67 18.876 4.192 -7.005 1.00 0.00 H new ATOM 0 HA ASN A 67 17.935 6.709 -7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.583 4.657 -9.207 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.758 3.905 -7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.583 5.234 -8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.582 4.317 -7.471 1.00 0.00 H new ATOM 1073 N ILE A 68 16.560 5.483 -5.236 1.00 0.00 N ATOM 1074 CA ILE A 68 15.765 5.844 -4.065 1.00 0.00 C ATOM 1075 C ILE A 68 16.474 6.956 -3.289 1.00 0.00 C ATOM 1076 O ILE A 68 15.858 7.937 -2.858 1.00 0.00 O ATOM 1077 CB ILE A 68 15.548 4.627 -3.120 1.00 0.00 C ATOM 1078 CG1 ILE A 68 14.910 3.449 -3.882 1.00 0.00 C ATOM 1079 CG2 ILE A 68 14.686 5.021 -1.920 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.636 2.223 -3.025 1.00 0.00 C ATOM 0 H ILE A 68 17.025 4.578 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 68 14.791 6.184 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 68 16.523 4.307 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.973 3.784 -4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.568 3.164 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.547 4.155 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.181 5.816 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.715 5.373 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.187 1.442 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.572 1.858 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.952 2.488 -2.219 1.00 0.00 H new ATOM 1092 N TYR A 69 17.785 6.793 -3.144 1.00 0.00 N ATOM 1093 CA TYR A 69 18.608 7.692 -2.347 1.00 0.00 C ATOM 1094 C TYR A 69 18.595 9.111 -2.917 1.00 0.00 C ATOM 1095 O TYR A 69 18.176 10.052 -2.248 1.00 0.00 O ATOM 1096 CB TYR A 69 20.046 7.155 -2.280 1.00 0.00 C ATOM 1097 CG TYR A 69 20.961 7.917 -1.336 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.015 7.599 0.018 1.00 0.00 C ATOM 1099 CD2 TYR A 69 21.777 8.945 -1.797 1.00 0.00 C ATOM 1100 CE1 TYR A 69 21.853 8.280 0.881 1.00 0.00 C ATOM 1101 CE2 TYR A 69 22.616 9.631 -0.941 1.00 0.00 C ATOM 1102 CZ TYR A 69 22.652 9.294 0.399 1.00 0.00 C ATOM 1103 OH TYR A 69 23.491 9.969 1.257 1.00 0.00 O ATOM 0 H TYR A 69 18.307 6.031 -3.578 1.00 0.00 H new ATOM 0 HA TYR A 69 18.192 7.737 -1.341 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.016 6.110 -1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.476 7.180 -3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.391 6.806 0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.754 9.211 -2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.881 8.018 1.928 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.241 10.427 -1.317 1.00 0.00 H new ATOM 0 HH TYR A 69 23.986 10.653 0.760 1.00 0.00 H new ATOM 1113 N GLN A 70 19.011 9.251 -4.169 1.00 0.00 N ATOM 1114 CA GLN A 70 19.228 10.568 -4.774 1.00 0.00 C ATOM 1115 C GLN A 70 17.923 11.240 -5.216 1.00 0.00 C ATOM 1116 O GLN A 70 17.936 12.115 -6.087 1.00 0.00 O ATOM 1117 CB GLN A 70 20.204 10.448 -5.952 1.00 0.00 C ATOM 1118 CG GLN A 70 21.646 10.191 -5.521 1.00 0.00 C ATOM 1119 CD GLN A 70 22.602 10.003 -6.689 1.00 0.00 C ATOM 1120 OE1 GLN A 70 23.594 9.285 -6.579 1.00 0.00 O ATOM 1121 NE2 GLN A 70 22.319 10.651 -7.812 1.00 0.00 N ATOM 0 H GLN A 70 19.207 8.467 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 70 19.661 11.210 -4.007 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.877 9.638 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.166 11.365 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 70 21.989 11.027 -4.911 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.676 9.303 -4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 70 21.487 11.238 -7.866 1.00 0.00 H new ATOM 0 HE22 GLN A 70 22.934 10.562 -8.621 1.00 0.00 H new ATOM 1130 N GLU A 71 16.805 10.859 -4.604 1.00 0.00 N ATOM 1131 CA GLU A 71 15.528 11.516 -4.869 1.00 0.00 C ATOM 1132 C GLU A 71 14.747 11.734 -3.571 1.00 0.00 C ATOM 1133 O GLU A 71 14.098 12.771 -3.397 1.00 0.00 O ATOM 1134 CB GLU A 71 14.694 10.705 -5.875 1.00 0.00 C ATOM 1135 CG GLU A 71 13.392 11.394 -6.284 1.00 0.00 C ATOM 1136 CD GLU A 71 12.693 10.706 -7.444 1.00 0.00 C ATOM 1137 OE1 GLU A 71 11.874 9.796 -7.203 1.00 0.00 O ATOM 1138 OE2 GLU A 71 12.955 11.076 -8.609 1.00 0.00 O ATOM 0 H GLU A 71 16.757 10.101 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 71 15.736 12.492 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.294 10.520 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.460 9.733 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.719 11.423 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.605 12.427 -6.557 1.00 0.00 H new ATOM 1145 N PHE A 72 14.819 10.766 -2.655 1.00 0.00 N ATOM 1146 CA PHE A 72 14.075 10.842 -1.393 1.00 0.00 C ATOM 1147 C PHE A 72 15.007 11.010 -0.193 1.00 0.00 C ATOM 1148 O PHE A 72 14.605 11.541 0.843 1.00 0.00 O ATOM 1149 CB PHE A 72 13.243 9.568 -1.184 1.00 0.00 C ATOM 1150 CG PHE A 72 12.395 9.183 -2.367 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.293 9.942 -2.725 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.701 8.056 -3.118 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.514 9.583 -3.806 1.00 0.00 C ATOM 1154 CE2 PHE A 72 11.925 7.695 -4.200 1.00 0.00 C ATOM 1155 CZ PHE A 72 10.831 8.459 -4.545 1.00 0.00 C ATOM 0 H PHE A 72 15.382 9.922 -2.761 1.00 0.00 H new ATOM 0 HA PHE A 72 13.425 11.714 -1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.916 8.743 -0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.596 9.708 -0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.041 10.823 -2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.557 7.454 -2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.656 10.181 -4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.174 6.816 -4.775 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.222 8.180 -5.392 1.00 0.00 H new ATOM 1165 N LEU A 73 16.250 10.551 -0.333 1.00 0.00 N ATOM 1166 CA LEU A 73 17.148 10.396 0.815 1.00 0.00 C ATOM 1167 C LEU A 73 18.435 11.213 0.664 1.00 0.00 C ATOM 1168 O LEU A 73 19.316 11.156 1.523 1.00 0.00 O ATOM 1169 CB LEU A 73 17.486 8.908 0.981 1.00 0.00 C ATOM 1170 CG LEU A 73 16.267 7.966 0.987 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.702 6.508 0.910 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.406 8.210 2.223 1.00 0.00 C ATOM 0 H LEU A 73 16.659 10.280 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 73 16.636 10.774 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.154 8.609 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.034 8.776 1.914 1.00 0.00 H new ATOM 0 HG LEU A 73 15.667 8.183 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.822 5.865 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.265 6.344 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.331 6.270 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.550 7.535 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.997 8.028 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.055 9.242 2.224 1.00 0.00 H new ATOM 1184 N SER A 74 18.549 11.965 -0.426 1.00 0.00 N ATOM 1185 CA SER A 74 19.722 12.801 -0.659 1.00 0.00 C ATOM 1186 C SER A 74 19.627 14.097 0.146 1.00 0.00 C ATOM 1187 O SER A 74 18.529 14.544 0.488 1.00 0.00 O ATOM 1188 CB SER A 74 19.868 13.093 -2.157 1.00 0.00 C ATOM 1189 OG SER A 74 18.626 13.463 -2.735 1.00 0.00 O ATOM 0 H SER A 74 17.844 12.013 -1.162 1.00 0.00 H new ATOM 0 HA SER A 74 20.610 12.265 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.593 13.894 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.259 12.211 -2.665 1.00 0.00 H new ATOM 0 HG SER A 74 18.751 13.645 -3.690 1.00 0.00 H new ATOM 1195 N SER A 75 20.781 14.697 0.443 1.00 0.00 N ATOM 1196 CA SER A 75 20.838 15.912 1.257 1.00 0.00 C ATOM 1197 C SER A 75 20.011 17.030 0.622 1.00 0.00 C ATOM 1198 O SER A 75 19.460 17.885 1.317 1.00 0.00 O ATOM 1199 CB SER A 75 22.296 16.360 1.432 1.00 0.00 C ATOM 1200 OG SER A 75 22.401 17.461 2.321 1.00 0.00 O ATOM 0 H SER A 75 21.692 14.360 0.131 1.00 0.00 H new ATOM 0 HA SER A 75 20.415 15.691 2.237 1.00 0.00 H new ATOM 0 HB2 SER A 75 22.890 15.528 1.811 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.712 16.634 0.462 1.00 0.00 H new ATOM 0 HG SER A 75 23.342 17.720 2.411 1.00 0.00 H new ATOM 1206 N GLN A 76 19.931 17.016 -0.707 1.00 0.00 N ATOM 1207 CA GLN A 76 19.141 17.995 -1.451 1.00 0.00 C ATOM 1208 C GLN A 76 18.069 17.286 -2.274 1.00 0.00 C ATOM 1209 O GLN A 76 17.817 17.637 -3.431 1.00 0.00 O ATOM 1210 CB GLN A 76 20.050 18.842 -2.355 1.00 0.00 C ATOM 1211 CG GLN A 76 20.961 19.799 -1.596 1.00 0.00 C ATOM 1212 CD GLN A 76 20.187 20.786 -0.734 1.00 0.00 C ATOM 1213 OE1 GLN A 76 19.791 21.856 -1.196 1.00 0.00 O ATOM 1214 NE2 GLN A 76 19.971 20.438 0.523 1.00 0.00 N ATOM 0 H GLN A 76 20.408 16.332 -1.295 1.00 0.00 H new ATOM 0 HA GLN A 76 18.649 18.662 -0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 76 20.664 18.176 -2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 76 19.428 19.416 -3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 76 21.639 19.225 -0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 76 21.577 20.349 -2.307 1.00 0.00 H new ATOM 0 HE21 GLN A 76 20.314 19.543 0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.461 21.065 1.145 1.00 0.00 H new ATOM 1223 N ALA A 77 17.436 16.291 -1.659 1.00 0.00 N ATOM 1224 CA ALA A 77 16.340 15.558 -2.284 1.00 0.00 C ATOM 1225 C ALA A 77 15.161 16.487 -2.570 1.00 0.00 C ATOM 1226 O ALA A 77 15.174 17.659 -2.185 1.00 0.00 O ATOM 1227 CB ALA A 77 15.900 14.411 -1.381 1.00 0.00 C ATOM 0 H ALA A 77 17.667 15.972 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 77 16.692 15.151 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.082 13.869 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.738 13.734 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.565 14.810 -0.423 1.00 0.00 H new ATOM 1233 N LEU A 78 14.143 15.962 -3.248 1.00 0.00 N ATOM 1234 CA LEU A 78 12.924 16.724 -3.505 1.00 0.00 C ATOM 1235 C LEU A 78 12.202 16.968 -2.183 1.00 0.00 C ATOM 1236 O LEU A 78 11.944 18.112 -1.798 1.00 0.00 O ATOM 1237 CB LEU A 78 12.004 15.980 -4.493 1.00 0.00 C ATOM 1238 CG LEU A 78 12.487 15.930 -5.959 1.00 0.00 C ATOM 1239 CD1 LEU A 78 13.801 15.162 -6.092 1.00 0.00 C ATOM 1240 CD2 LEU A 78 11.413 15.316 -6.858 1.00 0.00 C ATOM 0 H LEU A 78 14.138 15.015 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 78 13.190 17.679 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.874 14.957 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.022 16.452 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 78 12.669 16.955 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.110 15.148 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.570 15.650 -5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.662 14.140 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.772 15.289 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.195 14.302 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.506 15.919 -6.805 1.00 0.00 H new ATOM 1252 N SER A 79 11.911 15.876 -1.488 1.00 0.00 N ATOM 1253 CA SER A 79 11.309 15.924 -0.164 1.00 0.00 C ATOM 1254 C SER A 79 11.906 14.810 0.700 1.00 0.00 C ATOM 1255 O SER A 79 11.580 13.638 0.506 1.00 0.00 O ATOM 1256 CB SER A 79 9.784 15.761 -0.257 1.00 0.00 C ATOM 1257 OG SER A 79 9.213 16.698 -1.159 1.00 0.00 O ATOM 0 H SER A 79 12.087 14.931 -1.828 1.00 0.00 H new ATOM 0 HA SER A 79 11.520 16.892 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.545 14.749 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.343 15.890 0.731 1.00 0.00 H new ATOM 0 HG SER A 79 8.243 16.567 -1.196 1.00 0.00 H new ATOM 1263 N PRO A 80 12.824 15.151 1.628 1.00 0.00 N ATOM 1264 CA PRO A 80 13.419 14.166 2.538 1.00 0.00 C ATOM 1265 C PRO A 80 12.348 13.497 3.399 1.00 0.00 C ATOM 1266 O PRO A 80 11.802 14.115 4.317 1.00 0.00 O ATOM 1267 CB PRO A 80 14.393 14.994 3.400 1.00 0.00 C ATOM 1268 CG PRO A 80 13.939 16.410 3.247 1.00 0.00 C ATOM 1269 CD PRO A 80 13.350 16.509 1.865 1.00 0.00 C ATOM 0 HA PRO A 80 13.919 13.354 2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.361 14.680 4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 80 15.422 14.871 3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.200 16.667 4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 80 14.772 17.102 3.367 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.562 17.261 1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.101 16.785 1.125 1.00 0.00 H new ATOM 1277 N VAL A 81 12.032 12.243 3.071 1.00 0.00 N ATOM 1278 CA VAL A 81 10.972 11.506 3.756 1.00 0.00 C ATOM 1279 C VAL A 81 11.184 11.494 5.275 1.00 0.00 C ATOM 1280 O VAL A 81 12.318 11.446 5.763 1.00 0.00 O ATOM 1281 CB VAL A 81 10.832 10.058 3.215 1.00 0.00 C ATOM 1282 CG1 VAL A 81 10.312 10.067 1.778 1.00 0.00 C ATOM 1283 CG2 VAL A 81 12.158 9.310 3.298 1.00 0.00 C ATOM 0 H VAL A 81 12.498 11.716 2.332 1.00 0.00 H new ATOM 0 HA VAL A 81 10.040 12.032 3.547 1.00 0.00 H new ATOM 0 HB VAL A 81 10.109 9.535 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.221 9.042 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.336 10.550 1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.008 10.615 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.030 8.299 2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.908 9.832 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.485 9.263 4.337 1.00 0.00 H new ATOM 1293 N ASN A 82 10.073 11.506 6.006 1.00 0.00 N ATOM 1294 CA ASN A 82 10.064 11.739 7.456 1.00 0.00 C ATOM 1295 C ASN A 82 10.683 10.579 8.257 1.00 0.00 C ATOM 1296 O ASN A 82 10.618 10.558 9.486 1.00 0.00 O ATOM 1297 CB ASN A 82 8.613 12.005 7.905 1.00 0.00 C ATOM 1298 CG ASN A 82 8.483 12.370 9.377 1.00 0.00 C ATOM 1299 OD1 ASN A 82 8.199 11.380 10.212 1.00 0.00 O flip ATOM 1300 ND2 ASN A 82 8.625 13.534 9.758 1.00 0.00 N flip ATOM 0 H ASN A 82 9.145 11.354 5.611 1.00 0.00 H new ATOM 0 HA ASN A 82 10.690 12.607 7.662 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.198 12.813 7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.012 11.118 7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 82 8.843 14.268 9.084 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.524 13.763 10.747 1.00 0.00 H new ATOM 1307 N ILE A 83 11.305 9.625 7.569 1.00 0.00 N ATOM 1308 CA ILE A 83 11.952 8.498 8.241 1.00 0.00 C ATOM 1309 C ILE A 83 13.078 8.982 9.160 1.00 0.00 C ATOM 1310 O ILE A 83 13.568 10.108 9.023 1.00 0.00 O ATOM 1311 CB ILE A 83 12.538 7.485 7.227 1.00 0.00 C ATOM 1312 CG1 ILE A 83 13.685 8.126 6.425 1.00 0.00 C ATOM 1313 CG2 ILE A 83 11.442 6.972 6.296 1.00 0.00 C ATOM 1314 CD1 ILE A 83 14.357 7.184 5.450 1.00 0.00 C ATOM 0 H ILE A 83 11.375 9.608 6.552 1.00 0.00 H new ATOM 0 HA ILE A 83 11.182 8.002 8.831 1.00 0.00 H new ATOM 0 HB ILE A 83 12.944 6.636 7.777 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.296 8.983 5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 83 14.433 8.506 7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.869 6.261 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.667 6.479 6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.007 7.809 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 83 15.153 7.711 4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 83 14.779 6.338 5.993 1.00 0.00 H new ATOM 0 HD13 ILE A 83 13.624 6.823 4.729 1.00 0.00 H new ATOM 1326 N ASP A 84 13.483 8.131 10.096 1.00 0.00 N ATOM 1327 CA ASP A 84 14.585 8.453 11.000 1.00 0.00 C ATOM 1328 C ASP A 84 15.923 8.256 10.293 1.00 0.00 C ATOM 1329 O ASP A 84 16.394 7.126 10.149 1.00 0.00 O ATOM 1330 CB ASP A 84 14.533 7.580 12.265 1.00 0.00 C ATOM 1331 CG ASP A 84 13.307 7.852 13.123 1.00 0.00 C ATOM 1332 OD1 ASP A 84 13.303 8.863 13.859 1.00 0.00 O ATOM 1333 OD2 ASP A 84 12.347 7.054 13.071 1.00 0.00 O ATOM 0 H ASP A 84 13.066 7.213 10.250 1.00 0.00 H new ATOM 0 HA ASP A 84 14.484 9.497 11.295 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.542 6.529 11.976 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.431 7.755 12.858 1.00 0.00 H new ATOM 1338 N ARG A 85 16.527 9.352 9.837 1.00 0.00 N ATOM 1339 CA ARG A 85 17.831 9.285 9.176 1.00 0.00 C ATOM 1340 C ARG A 85 18.945 9.061 10.203 1.00 0.00 C ATOM 1341 O ARG A 85 20.058 8.668 9.851 1.00 0.00 O ATOM 1342 CB ARG A 85 18.120 10.554 8.353 1.00 0.00 C ATOM 1343 CG ARG A 85 17.302 10.676 7.062 1.00 0.00 C ATOM 1344 CD ARG A 85 15.907 11.249 7.302 1.00 0.00 C ATOM 1345 NE ARG A 85 15.948 12.666 7.681 1.00 0.00 N ATOM 1346 CZ ARG A 85 14.877 13.465 7.721 1.00 0.00 C ATOM 1347 NH1 ARG A 85 13.671 12.998 7.422 1.00 0.00 N ATOM 1348 NH2 ARG A 85 15.013 14.740 8.056 1.00 0.00 N ATOM 0 H ARG A 85 16.138 10.292 9.912 1.00 0.00 H new ATOM 0 HA ARG A 85 17.803 8.439 8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.925 11.427 8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 85 19.180 10.574 8.100 1.00 0.00 H new ATOM 0 HG2 ARG A 85 17.836 11.313 6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.212 9.693 6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.308 11.133 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.412 10.679 8.088 1.00 0.00 H new ATOM 0 HE ARG A 85 16.852 13.067 7.930 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.554 12.020 7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.861 13.617 7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.935 15.112 8.283 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.196 15.349 8.086 1.00 0.00 H new ATOM 1362 N GLN A 86 18.627 9.302 11.472 1.00 0.00 N ATOM 1363 CA GLN A 86 19.595 9.161 12.561 1.00 0.00 C ATOM 1364 C GLN A 86 20.040 7.705 12.713 1.00 0.00 C ATOM 1365 O GLN A 86 21.230 7.419 12.860 1.00 0.00 O ATOM 1366 CB GLN A 86 19.001 9.666 13.889 1.00 0.00 C ATOM 1367 CG GLN A 86 18.687 11.163 13.925 1.00 0.00 C ATOM 1368 CD GLN A 86 17.566 11.570 12.980 1.00 0.00 C ATOM 1369 OE1 GLN A 86 17.919 11.972 11.769 1.00 0.00 O flip ATOM 1370 NE2 GLN A 86 16.388 11.534 13.344 1.00 0.00 N flip ATOM 0 H GLN A 86 17.699 9.598 11.775 1.00 0.00 H new ATOM 0 HA GLN A 86 20.465 9.768 12.310 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.085 9.112 14.095 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.700 9.436 14.694 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.415 11.445 14.942 1.00 0.00 H new ATOM 0 HG3 GLN A 86 19.588 11.721 13.670 1.00 0.00 H new ATOM 0 HE21 GLN A 86 16.155 11.218 14.285 1.00 0.00 H new ATOM 0 HE22 GLN A 86 15.647 11.820 12.704 1.00 0.00 H new ATOM 1379 N ALA A 87 19.075 6.791 12.665 1.00 0.00 N ATOM 1380 CA ALA A 87 19.345 5.361 12.821 1.00 0.00 C ATOM 1381 C ALA A 87 19.246 4.652 11.473 1.00 0.00 C ATOM 1382 O ALA A 87 19.026 3.438 11.402 1.00 0.00 O ATOM 1383 CB ALA A 87 18.368 4.754 13.824 1.00 0.00 C ATOM 0 H ALA A 87 18.091 7.016 12.518 1.00 0.00 H new ATOM 0 HA ALA A 87 20.359 5.230 13.200 1.00 0.00 H new ATOM 0 HB1 ALA A 87 18.575 3.690 13.935 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.483 5.248 14.789 1.00 0.00 H new ATOM 0 HB3 ALA A 87 17.348 4.890 13.466 1.00 0.00 H new ATOM 1389 N TRP A 88 19.436 5.419 10.405 1.00 0.00 N ATOM 1390 CA TRP A 88 19.291 4.909 9.047 1.00 0.00 C ATOM 1391 C TRP A 88 20.512 4.068 8.653 1.00 0.00 C ATOM 1392 O TRP A 88 21.497 4.010 9.391 1.00 0.00 O ATOM 1393 CB TRP A 88 19.093 6.084 8.078 1.00 0.00 C ATOM 1394 CG TRP A 88 18.600 5.675 6.725 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.381 5.137 6.433 1.00 0.00 C ATOM 1396 CD2 TRP A 88 19.304 5.774 5.483 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.290 4.877 5.090 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.456 5.263 4.486 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.568 6.240 5.116 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 18.831 5.203 3.152 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.939 6.179 3.786 1.00 0.00 C ATOM 1402 CH2 TRP A 88 20.070 5.663 2.818 1.00 0.00 C ATOM 0 H TRP A 88 19.693 6.405 10.455 1.00 0.00 H new ATOM 0 HA TRP A 88 18.415 4.262 8.997 1.00 0.00 H new ATOM 0 HB2 TRP A 88 18.385 6.788 8.515 1.00 0.00 H new ATOM 0 HB3 TRP A 88 20.039 6.613 7.965 1.00 0.00 H new ATOM 0 HD1 TRP A 88 16.601 4.944 7.155 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.485 4.464 4.618 1.00 0.00 H new ATOM 0 HE3 TRP A 88 21.243 6.641 5.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 18.163 4.805 2.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 21.914 6.535 3.489 1.00 0.00 H new ATOM 0 HH2 TRP A 88 20.387 5.629 1.786 1.00 0.00 H new ATOM 1413 N LEU A 89 20.434 3.421 7.488 1.00 0.00 N ATOM 1414 CA LEU A 89 21.508 2.550 7.003 1.00 0.00 C ATOM 1415 C LEU A 89 22.819 3.330 6.885 1.00 0.00 C ATOM 1416 O LEU A 89 23.790 3.052 7.594 1.00 0.00 O ATOM 1417 CB LEU A 89 21.144 1.936 5.634 1.00 0.00 C ATOM 1418 CG LEU A 89 19.912 1.003 5.604 1.00 0.00 C ATOM 1419 CD1 LEU A 89 19.992 -0.051 6.700 1.00 0.00 C ATOM 1420 CD2 LEU A 89 18.607 1.788 5.711 1.00 0.00 C ATOM 0 H LEU A 89 19.633 3.484 6.859 1.00 0.00 H new ATOM 0 HA LEU A 89 21.636 1.744 7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 89 20.973 2.750 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 89 22.006 1.376 5.271 1.00 0.00 H new ATOM 0 HG LEU A 89 19.918 0.496 4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.112 -0.692 6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 89 20.888 -0.655 6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 89 20.033 0.438 7.673 1.00 0.00 H new ATOM 0 HD21 LEU A 89 17.764 1.097 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 89 18.593 2.345 6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 89 18.531 2.483 4.875 1.00 0.00 H new ATOM 1432 N GLY A 90 22.832 4.306 5.985 1.00 0.00 N ATOM 1433 CA GLY A 90 24.000 5.145 5.791 1.00 0.00 C ATOM 1434 C GLY A 90 24.441 5.171 4.343 1.00 0.00 C ATOM 1435 O GLY A 90 23.886 4.456 3.510 1.00 0.00 O ATOM 0 H GLY A 90 22.044 4.533 5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.777 6.160 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.817 4.780 6.413 1.00 0.00 H new ATOM 1439 N GLU A 91 25.448 5.986 4.052 1.00 0.00 N ATOM 1440 CA GLU A 91 26.003 6.115 2.702 1.00 0.00 C ATOM 1441 C GLU A 91 26.587 4.781 2.222 1.00 0.00 C ATOM 1442 O GLU A 91 26.822 4.579 1.030 1.00 0.00 O ATOM 1443 CB GLU A 91 27.095 7.195 2.702 1.00 0.00 C ATOM 1444 CG GLU A 91 26.624 8.540 3.251 1.00 0.00 C ATOM 1445 CD GLU A 91 27.767 9.516 3.485 1.00 0.00 C ATOM 1446 OE1 GLU A 91 28.436 9.412 4.540 1.00 0.00 O ATOM 1447 OE2 GLU A 91 28.001 10.391 2.628 1.00 0.00 O ATOM 0 H GLU A 91 25.906 6.579 4.744 1.00 0.00 H new ATOM 0 HA GLU A 91 25.203 6.401 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.940 6.846 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 91 27.457 7.334 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 91 25.912 8.982 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 91 26.093 8.378 4.189 1.00 0.00 H new ATOM 1454 N GLU A 92 26.796 3.874 3.169 1.00 0.00 N ATOM 1455 CA GLU A 92 27.385 2.568 2.903 1.00 0.00 C ATOM 1456 C GLU A 92 26.492 1.740 1.985 1.00 0.00 C ATOM 1457 O GLU A 92 26.976 0.870 1.258 1.00 0.00 O ATOM 1458 CB GLU A 92 27.619 1.838 4.234 1.00 0.00 C ATOM 1459 CG GLU A 92 26.378 1.775 5.125 1.00 0.00 C ATOM 1460 CD GLU A 92 26.694 1.352 6.551 1.00 0.00 C ATOM 1461 OE1 GLU A 92 27.133 2.211 7.347 1.00 0.00 O ATOM 1462 OE2 GLU A 92 26.515 0.160 6.883 1.00 0.00 O ATOM 0 H GLU A 92 26.560 4.026 4.150 1.00 0.00 H new ATOM 0 HA GLU A 92 28.339 2.707 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.959 0.823 4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 92 28.421 2.338 4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.897 2.753 5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.663 1.075 4.694 1.00 0.00 H new ATOM 1469 N VAL A 93 25.192 2.030 2.000 1.00 0.00 N ATOM 1470 CA VAL A 93 24.239 1.270 1.200 1.00 0.00 C ATOM 1471 C VAL A 93 24.454 1.525 -0.294 1.00 0.00 C ATOM 1472 O VAL A 93 24.089 0.704 -1.136 1.00 0.00 O ATOM 1473 CB VAL A 93 22.771 1.586 1.586 1.00 0.00 C ATOM 1474 CG1 VAL A 93 22.406 3.031 1.251 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.810 0.609 0.909 1.00 0.00 C ATOM 0 H VAL A 93 24.779 2.780 2.554 1.00 0.00 H new ATOM 0 HA VAL A 93 24.420 0.216 1.411 1.00 0.00 H new ATOM 0 HB VAL A 93 22.677 1.464 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 93 21.370 3.220 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 93 23.061 3.708 1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.526 3.198 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.786 0.850 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.913 0.688 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 93 22.044 -0.408 1.223 1.00 0.00 H new ATOM 1485 N LEU A 94 25.059 2.670 -0.613 1.00 0.00 N ATOM 1486 CA LEU A 94 25.391 3.009 -1.995 1.00 0.00 C ATOM 1487 C LEU A 94 26.522 2.114 -2.493 1.00 0.00 C ATOM 1488 O LEU A 94 26.667 1.883 -3.694 1.00 0.00 O ATOM 1489 CB LEU A 94 25.801 4.490 -2.124 1.00 0.00 C ATOM 1490 CG LEU A 94 24.668 5.529 -1.980 1.00 0.00 C ATOM 1491 CD1 LEU A 94 23.548 5.257 -2.982 1.00 0.00 C ATOM 1492 CD2 LEU A 94 24.122 5.562 -0.555 1.00 0.00 C ATOM 0 H LEU A 94 25.329 3.379 0.069 1.00 0.00 H new ATOM 0 HA LEU A 94 24.503 2.847 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.558 4.702 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 94 26.273 4.631 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 94 25.091 6.510 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 94 22.762 6.002 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 94 23.946 5.311 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 94 23.136 4.263 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 94 23.326 6.304 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 94 23.727 4.580 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 94 24.923 5.826 0.136 1.00 0.00 H new ATOM 1504 N ALA A 95 27.321 1.617 -1.556 1.00 0.00 N ATOM 1505 CA ALA A 95 28.451 0.757 -1.879 1.00 0.00 C ATOM 1506 C ALA A 95 28.029 -0.710 -1.926 1.00 0.00 C ATOM 1507 O ALA A 95 28.285 -1.406 -2.916 1.00 0.00 O ATOM 1508 CB ALA A 95 29.573 0.960 -0.867 1.00 0.00 C ATOM 0 H ALA A 95 27.205 1.797 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 95 28.817 1.031 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.412 0.312 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.899 2.000 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.211 0.714 0.131 1.00 0.00 H new ATOM 1514 N GLU A 96 27.378 -1.175 -0.858 1.00 0.00 N ATOM 1515 CA GLU A 96 26.970 -2.577 -0.742 1.00 0.00 C ATOM 1516 C GLU A 96 25.457 -2.686 -0.520 1.00 0.00 C ATOM 1517 O GLU A 96 24.971 -2.462 0.590 1.00 0.00 O ATOM 1518 CB GLU A 96 27.723 -3.252 0.417 1.00 0.00 C ATOM 1519 CG GLU A 96 29.241 -3.177 0.291 1.00 0.00 C ATOM 1520 CD GLU A 96 29.960 -3.874 1.436 1.00 0.00 C ATOM 1521 OE1 GLU A 96 30.068 -3.279 2.531 1.00 0.00 O ATOM 1522 OE2 GLU A 96 30.413 -5.023 1.249 1.00 0.00 O ATOM 0 H GLU A 96 27.121 -0.598 -0.057 1.00 0.00 H new ATOM 0 HA GLU A 96 27.219 -3.086 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 96 27.422 -2.785 1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 96 27.424 -4.299 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 96 29.546 -3.629 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 96 29.548 -2.132 0.258 1.00 0.00 H new ATOM 1529 N PRO A 97 24.693 -3.002 -1.584 1.00 0.00 N ATOM 1530 CA PRO A 97 23.239 -3.144 -1.508 1.00 0.00 C ATOM 1531 C PRO A 97 22.791 -4.584 -1.221 1.00 0.00 C ATOM 1532 O PRO A 97 23.601 -5.516 -1.224 1.00 0.00 O ATOM 1533 CB PRO A 97 22.818 -2.720 -2.910 1.00 0.00 C ATOM 1534 CG PRO A 97 23.911 -3.242 -3.790 1.00 0.00 C ATOM 1535 CD PRO A 97 25.180 -3.222 -2.961 1.00 0.00 C ATOM 0 HA PRO A 97 22.799 -2.563 -0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 97 21.851 -3.143 -3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 97 22.725 -1.637 -2.988 1.00 0.00 H new ATOM 0 HG2 PRO A 97 23.686 -4.253 -4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.020 -2.623 -4.681 1.00 0.00 H new ATOM 0 HD2 PRO A 97 25.730 -4.159 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 97 25.854 -2.427 -3.279 1.00 0.00 H new ATOM 1543 N ARG A 98 21.489 -4.757 -0.995 1.00 0.00 N ATOM 1544 CA ARG A 98 20.910 -6.069 -0.708 1.00 0.00 C ATOM 1545 C ARG A 98 19.405 -6.041 -0.988 1.00 0.00 C ATOM 1546 O ARG A 98 18.789 -4.979 -0.912 1.00 0.00 O ATOM 1547 CB ARG A 98 21.177 -6.467 0.753 1.00 0.00 C ATOM 1548 CG ARG A 98 20.511 -5.551 1.775 1.00 0.00 C ATOM 1549 CD ARG A 98 20.825 -5.973 3.204 1.00 0.00 C ATOM 1550 NE ARG A 98 20.357 -7.332 3.487 1.00 0.00 N ATOM 1551 CZ ARG A 98 20.154 -7.817 4.712 1.00 0.00 C ATOM 1552 NH1 ARG A 98 20.378 -7.055 5.781 1.00 0.00 N ATOM 1553 NH2 ARG A 98 19.724 -9.065 4.862 1.00 0.00 N ATOM 0 H ARG A 98 20.809 -3.996 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 98 21.378 -6.812 -1.354 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.827 -7.487 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.253 -6.469 0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.846 -4.526 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.432 -5.560 1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 98 21.901 -5.917 3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 98 20.358 -5.276 3.900 1.00 0.00 H new ATOM 0 HE ARG A 98 20.174 -7.948 2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.706 -6.096 5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.221 -7.430 6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.551 -9.647 4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 98 19.567 -9.441 5.797 1.00 0.00 H new ATOM 1567 N PRO A 99 18.789 -7.201 -1.306 1.00 0.00 N ATOM 1568 CA PRO A 99 17.358 -7.268 -1.660 1.00 0.00 C ATOM 1569 C PRO A 99 16.449 -6.905 -0.482 1.00 0.00 C ATOM 1570 O PRO A 99 15.273 -6.583 -0.661 1.00 0.00 O ATOM 1571 CB PRO A 99 17.159 -8.736 -2.072 1.00 0.00 C ATOM 1572 CG PRO A 99 18.248 -9.474 -1.368 1.00 0.00 C ATOM 1573 CD PRO A 99 19.425 -8.536 -1.341 1.00 0.00 C ATOM 0 HA PRO A 99 17.097 -6.557 -2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.176 -9.102 -1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.231 -8.858 -3.153 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.944 -9.750 -0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.496 -10.398 -1.890 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.055 -8.705 -0.468 1.00 0.00 H new ATOM 0 HD3 PRO A 99 20.058 -8.658 -2.220 1.00 0.00 H new ATOM 1581 N ASP A 100 17.005 -6.961 0.723 1.00 0.00 N ATOM 1582 CA ASP A 100 16.272 -6.604 1.934 1.00 0.00 C ATOM 1583 C ASP A 100 16.814 -5.297 2.485 1.00 0.00 C ATOM 1584 O ASP A 100 17.603 -5.288 3.432 1.00 0.00 O ATOM 1585 CB ASP A 100 16.382 -7.712 2.996 1.00 0.00 C ATOM 1586 CG ASP A 100 15.685 -8.999 2.585 1.00 0.00 C ATOM 1587 OD1 ASP A 100 14.479 -9.142 2.866 1.00 0.00 O ATOM 1588 OD2 ASP A 100 16.341 -9.875 1.988 1.00 0.00 O ATOM 0 H ASP A 100 17.968 -7.252 0.889 1.00 0.00 H new ATOM 0 HA ASP A 100 15.218 -6.486 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.434 -7.921 3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 100 15.952 -7.355 3.932 1.00 0.00 H new ATOM 1593 N MET A 101 16.420 -4.189 1.869 1.00 0.00 N ATOM 1594 CA MET A 101 16.948 -2.885 2.241 1.00 0.00 C ATOM 1595 C MET A 101 15.864 -1.817 2.173 1.00 0.00 C ATOM 1596 O MET A 101 14.934 -1.919 1.377 1.00 0.00 O ATOM 1597 CB MET A 101 18.117 -2.513 1.318 1.00 0.00 C ATOM 1598 CG MET A 101 18.962 -1.339 1.803 1.00 0.00 C ATOM 1599 SD MET A 101 20.361 -1.839 2.839 1.00 0.00 S ATOM 1600 CE MET A 101 19.556 -2.587 4.255 1.00 0.00 C ATOM 0 H MET A 101 15.738 -4.169 1.111 1.00 0.00 H new ATOM 0 HA MET A 101 17.305 -2.939 3.269 1.00 0.00 H new ATOM 0 HB2 MET A 101 18.762 -3.384 1.202 1.00 0.00 H new ATOM 0 HB3 MET A 101 17.721 -2.275 0.331 1.00 0.00 H new ATOM 0 HG2 MET A 101 19.337 -0.790 0.939 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.329 -0.654 2.366 1.00 0.00 H new ATOM 0 HE1 MET A 101 20.301 -2.820 5.016 1.00 0.00 H new ATOM 0 HE2 MET A 101 18.823 -1.893 4.665 1.00 0.00 H new ATOM 0 HE3 MET A 101 19.054 -3.504 3.946 1.00 0.00 H new ATOM 1610 N PHE A 102 15.993 -0.812 3.043 1.00 0.00 N ATOM 1611 CA PHE A 102 15.078 0.334 3.110 1.00 0.00 C ATOM 1612 C PHE A 102 13.660 -0.065 3.541 1.00 0.00 C ATOM 1613 O PHE A 102 12.807 0.801 3.736 1.00 0.00 O ATOM 1614 CB PHE A 102 15.039 1.082 1.765 1.00 0.00 C ATOM 1615 CG PHE A 102 16.381 1.620 1.318 1.00 0.00 C ATOM 1616 CD1 PHE A 102 17.420 1.800 2.225 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.603 1.944 -0.014 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.642 2.290 1.811 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.827 2.437 -0.429 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.846 2.610 0.484 1.00 0.00 C ATOM 0 H PHE A 102 16.745 -0.769 3.730 1.00 0.00 H new ATOM 0 HA PHE A 102 15.470 1.001 3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.656 0.409 0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.335 1.911 1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.269 1.553 3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.810 1.809 -0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.440 2.423 2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.985 2.686 -1.468 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.802 2.995 0.161 1.00 0.00 H new ATOM 1630 N ARG A 103 13.419 -1.365 3.721 1.00 0.00 N ATOM 1631 CA ARG A 103 12.081 -1.861 4.052 1.00 0.00 C ATOM 1632 C ARG A 103 11.658 -1.425 5.455 1.00 0.00 C ATOM 1633 O ARG A 103 10.470 -1.231 5.724 1.00 0.00 O ATOM 1634 CB ARG A 103 12.022 -3.392 3.914 1.00 0.00 C ATOM 1635 CG ARG A 103 10.622 -3.970 4.130 1.00 0.00 C ATOM 1636 CD ARG A 103 10.529 -5.426 3.691 1.00 0.00 C ATOM 1637 NE ARG A 103 11.382 -6.311 4.488 1.00 0.00 N ATOM 1638 CZ ARG A 103 12.300 -7.134 3.976 1.00 0.00 C ATOM 1639 NH1 ARG A 103 12.547 -7.143 2.671 1.00 0.00 N ATOM 1640 NH2 ARG A 103 12.974 -7.950 4.773 1.00 0.00 N ATOM 0 H ARG A 103 14.130 -2.092 3.644 1.00 0.00 H new ATOM 0 HA ARG A 103 11.377 -1.424 3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.374 -3.673 2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.707 -3.841 4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 103 10.357 -3.892 5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 103 9.896 -3.377 3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 103 9.494 -5.759 3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 103 10.812 -5.504 2.641 1.00 0.00 H new ATOM 0 HE ARG A 103 11.267 -6.297 5.501 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.033 -6.517 2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 103 13.250 -7.776 2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.791 -7.949 5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.676 -8.579 4.383 1.00 0.00 H new ATOM 1654 N ALA A 104 12.632 -1.259 6.343 1.00 0.00 N ATOM 1655 CA ALA A 104 12.360 -0.783 7.696 1.00 0.00 C ATOM 1656 C ALA A 104 11.760 0.620 7.643 1.00 0.00 C ATOM 1657 O ALA A 104 10.814 0.941 8.364 1.00 0.00 O ATOM 1658 CB ALA A 104 13.639 -0.797 8.529 1.00 0.00 C ATOM 0 H ALA A 104 13.616 -1.447 6.151 1.00 0.00 H new ATOM 0 HA ALA A 104 11.640 -1.449 8.171 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.422 -0.440 9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.028 -1.814 8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.382 -0.147 8.066 1.00 0.00 H new ATOM 1664 N GLN A 105 12.309 1.439 6.755 1.00 0.00 N ATOM 1665 CA GLN A 105 11.843 2.807 6.561 1.00 0.00 C ATOM 1666 C GLN A 105 10.574 2.810 5.712 1.00 0.00 C ATOM 1667 O GLN A 105 9.694 3.658 5.884 1.00 0.00 O ATOM 1668 CB GLN A 105 12.937 3.650 5.889 1.00 0.00 C ATOM 1669 CG GLN A 105 14.191 3.845 6.742 1.00 0.00 C ATOM 1670 CD GLN A 105 14.973 2.562 6.988 1.00 0.00 C ATOM 1671 OE1 GLN A 105 14.974 1.646 6.162 1.00 0.00 O ATOM 1672 NE2 GLN A 105 15.649 2.491 8.125 1.00 0.00 N ATOM 0 H GLN A 105 13.087 1.175 6.151 1.00 0.00 H new ATOM 0 HA GLN A 105 11.616 3.245 7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.220 3.175 4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.525 4.628 5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.843 4.569 6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.903 4.274 7.702 1.00 0.00 H new ATOM 0 HE21 GLN A 105 15.623 3.270 8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 105 16.195 1.657 8.342 1.00 0.00 H new ATOM 1681 N GLN A 106 10.495 1.845 4.801 1.00 0.00 N ATOM 1682 CA GLN A 106 9.324 1.657 3.952 1.00 0.00 C ATOM 1683 C GLN A 106 8.070 1.505 4.808 1.00 0.00 C ATOM 1684 O GLN A 106 7.044 2.142 4.559 1.00 0.00 O ATOM 1685 CB GLN A 106 9.514 0.409 3.077 1.00 0.00 C ATOM 1686 CG GLN A 106 8.323 0.090 2.181 1.00 0.00 C ATOM 1687 CD GLN A 106 8.445 -1.256 1.484 1.00 0.00 C ATOM 1688 OE1 GLN A 106 9.059 -2.186 2.004 1.00 0.00 O ATOM 1689 NE2 GLN A 106 7.856 -1.368 0.305 1.00 0.00 N ATOM 0 H GLN A 106 11.242 1.171 4.631 1.00 0.00 H new ATOM 0 HA GLN A 106 9.207 2.531 3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.397 0.547 2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.709 -0.448 3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.412 0.101 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.221 0.873 1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.356 -0.573 -0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.902 -2.249 -0.206 1.00 0.00 H new ATOM 1698 N LEU A 107 8.172 0.664 5.834 1.00 0.00 N ATOM 1699 CA LEU A 107 7.051 0.402 6.728 1.00 0.00 C ATOM 1700 C LEU A 107 6.728 1.641 7.568 1.00 0.00 C ATOM 1701 O LEU A 107 5.583 1.844 7.976 1.00 0.00 O ATOM 1702 CB LEU A 107 7.354 -0.794 7.642 1.00 0.00 C ATOM 1703 CG LEU A 107 6.145 -1.333 8.427 1.00 0.00 C ATOM 1704 CD1 LEU A 107 5.132 -1.981 7.484 1.00 0.00 C ATOM 1705 CD2 LEU A 107 6.591 -2.317 9.508 1.00 0.00 C ATOM 0 H LEU A 107 9.023 0.152 6.066 1.00 0.00 H new ATOM 0 HA LEU A 107 6.181 0.160 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.764 -1.601 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.129 -0.503 8.351 1.00 0.00 H new ATOM 0 HG LEU A 107 5.659 -0.491 8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.286 -2.355 8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.782 -1.242 6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.605 -2.809 6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.718 -2.684 10.049 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.110 -3.156 9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.263 -1.814 10.203 1.00 0.00 H new ATOM 1717 N GLN A 108 7.739 2.472 7.817 1.00 0.00 N ATOM 1718 CA GLN A 108 7.542 3.708 8.572 1.00 0.00 C ATOM 1719 C GLN A 108 6.668 4.674 7.773 1.00 0.00 C ATOM 1720 O GLN A 108 5.762 5.309 8.319 1.00 0.00 O ATOM 1721 CB GLN A 108 8.890 4.353 8.932 1.00 0.00 C ATOM 1722 CG GLN A 108 8.751 5.633 9.747 1.00 0.00 C ATOM 1723 CD GLN A 108 10.062 6.106 10.349 1.00 0.00 C ATOM 1724 OE1 GLN A 108 11.140 5.873 9.801 1.00 0.00 O ATOM 1725 NE2 GLN A 108 9.977 6.772 11.489 1.00 0.00 N ATOM 0 H GLN A 108 8.698 2.313 7.509 1.00 0.00 H new ATOM 0 HA GLN A 108 7.032 3.469 9.505 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.488 3.636 9.495 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.436 4.573 8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.347 6.419 9.110 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.029 5.469 10.547 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.065 6.945 11.912 1.00 0.00 H new ATOM 0 HE22 GLN A 108 10.823 7.112 11.945 1.00 0.00 H new ATOM 1734 N ILE A 109 6.935 4.766 6.471 1.00 0.00 N ATOM 1735 CA ILE A 109 6.094 5.549 5.564 1.00 0.00 C ATOM 1736 C ILE A 109 4.688 4.951 5.519 1.00 0.00 C ATOM 1737 O ILE A 109 3.689 5.676 5.527 1.00 0.00 O ATOM 1738 CB ILE A 109 6.714 5.620 4.130 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.328 7.008 3.869 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.689 5.283 3.044 1.00 0.00 C ATOM 1741 CD1 ILE A 109 8.374 7.420 4.882 1.00 0.00 C ATOM 0 H ILE A 109 7.727 4.308 6.020 1.00 0.00 H new ATOM 0 HA ILE A 109 6.035 6.569 5.943 1.00 0.00 H new ATOM 0 HB ILE A 109 7.503 4.869 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.777 7.014 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.531 7.751 3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.163 5.345 2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.311 4.273 3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.862 5.991 3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.757 8.408 4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.927 7.449 5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.193 6.700 4.873 1.00 0.00 H new ATOM 1753 N PHE A 110 4.633 3.621 5.491 1.00 0.00 N ATOM 1754 CA PHE A 110 3.370 2.887 5.517 1.00 0.00 C ATOM 1755 C PHE A 110 2.523 3.338 6.708 1.00 0.00 C ATOM 1756 O PHE A 110 1.364 3.721 6.548 1.00 0.00 O ATOM 1757 CB PHE A 110 3.654 1.375 5.592 1.00 0.00 C ATOM 1758 CG PHE A 110 2.425 0.496 5.559 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.701 0.229 6.716 1.00 0.00 C ATOM 1760 CD2 PHE A 110 2.001 -0.071 4.368 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.581 -0.582 6.678 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.883 -0.880 4.327 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.173 -1.136 5.481 1.00 0.00 C ATOM 0 H PHE A 110 5.459 3.024 5.450 1.00 0.00 H new ATOM 0 HA PHE A 110 2.812 3.095 4.604 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.302 1.100 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.206 1.169 6.509 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.017 0.660 7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.552 0.122 3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.027 -0.781 7.583 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.564 -1.313 3.390 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.701 -1.769 5.449 1.00 0.00 H new ATOM 1773 N ASN A 111 3.126 3.317 7.896 1.00 0.00 N ATOM 1774 CA ASN A 111 2.436 3.693 9.134 1.00 0.00 C ATOM 1775 C ASN A 111 2.076 5.177 9.139 1.00 0.00 C ATOM 1776 O ASN A 111 1.026 5.571 9.652 1.00 0.00 O ATOM 1777 CB ASN A 111 3.307 3.372 10.358 1.00 0.00 C ATOM 1778 CG ASN A 111 3.514 1.881 10.572 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.650 1.063 10.249 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.662 1.519 11.124 1.00 0.00 N ATOM 0 H ASN A 111 4.099 3.041 8.030 1.00 0.00 H new ATOM 0 HA ASN A 111 1.515 3.112 9.185 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.278 3.854 10.241 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.844 3.799 11.247 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.857 0.533 11.296 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.352 2.227 11.377 1.00 0.00 H new ATOM 1787 N LEU A 112 2.951 5.992 8.560 1.00 0.00 N ATOM 1788 CA LEU A 112 2.764 7.443 8.531 1.00 0.00 C ATOM 1789 C LEU A 112 1.431 7.798 7.868 1.00 0.00 C ATOM 1790 O LEU A 112 0.673 8.621 8.377 1.00 0.00 O ATOM 1791 CB LEU A 112 3.949 8.102 7.792 1.00 0.00 C ATOM 1792 CG LEU A 112 4.071 9.642 7.901 1.00 0.00 C ATOM 1793 CD1 LEU A 112 5.484 10.090 7.534 1.00 0.00 C ATOM 1794 CD2 LEU A 112 3.054 10.354 7.005 1.00 0.00 C ATOM 0 H LEU A 112 3.804 5.672 8.101 1.00 0.00 H new ATOM 0 HA LEU A 112 2.736 7.824 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.872 7.661 8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.878 7.841 6.736 1.00 0.00 H new ATOM 0 HG LEU A 112 3.861 9.914 8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.554 11.175 7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.200 9.628 8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.707 9.788 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.170 11.433 7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.222 10.069 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.045 10.068 7.301 1.00 0.00 H new ATOM 1806 N MET A 113 1.147 7.158 6.742 1.00 0.00 N ATOM 1807 CA MET A 113 -0.068 7.445 5.976 1.00 0.00 C ATOM 1808 C MET A 113 -1.141 6.383 6.216 1.00 0.00 C ATOM 1809 O MET A 113 -2.221 6.440 5.622 1.00 0.00 O ATOM 1810 CB MET A 113 0.268 7.541 4.478 1.00 0.00 C ATOM 1811 CG MET A 113 0.917 6.287 3.907 1.00 0.00 C ATOM 1812 SD MET A 113 1.391 6.476 2.176 1.00 0.00 S ATOM 1813 CE MET A 113 2.125 4.875 1.849 1.00 0.00 C ATOM 0 H MET A 113 1.740 6.435 6.334 1.00 0.00 H new ATOM 0 HA MET A 113 -0.467 8.401 6.315 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.647 7.749 3.923 1.00 0.00 H new ATOM 0 HB3 MET A 113 0.936 8.388 4.319 1.00 0.00 H new ATOM 0 HG2 MET A 113 1.800 6.039 4.496 1.00 0.00 H new ATOM 0 HG3 MET A 113 0.225 5.450 4.001 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.116 5.011 1.416 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.210 4.316 2.781 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.496 4.322 1.151 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.847 5.446 7.118 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.718 4.295 7.378 1.00 0.00 C ATOM 1825 C LYS A 114 -3.118 4.721 7.821 1.00 0.00 C ATOM 1826 O LYS A 114 -4.106 4.083 7.463 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.086 3.391 8.446 1.00 0.00 C ATOM 1828 CG LYS A 114 -1.853 2.098 8.712 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.175 1.254 9.789 1.00 0.00 C ATOM 1830 CE LYS A 114 -1.927 -0.044 10.059 1.00 0.00 C ATOM 1831 NZ LYS A 114 -1.304 -0.821 11.164 1.00 0.00 N ATOM 0 H LYS A 114 -0.001 5.461 7.688 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.822 3.745 6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.071 3.140 8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.007 3.951 9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.871 2.335 9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.927 1.522 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.155 1.024 9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.106 1.831 10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.963 0.181 10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.944 -0.650 9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.843 -1.697 11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.323 -1.058 10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.310 -0.252 12.035 1.00 0.00 H new ATOM 1845 N PHE A 115 -3.199 5.790 8.605 1.00 0.00 N ATOM 1846 CA PHE A 115 -4.484 6.272 9.110 1.00 0.00 C ATOM 1847 C PHE A 115 -4.601 7.783 8.893 1.00 0.00 C ATOM 1848 O PHE A 115 -5.338 8.479 9.594 1.00 0.00 O ATOM 1849 CB PHE A 115 -4.622 5.908 10.599 1.00 0.00 C ATOM 1850 CG PHE A 115 -6.032 6.025 11.130 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -7.052 5.246 10.599 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -6.339 6.905 12.159 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -8.343 5.344 11.081 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -7.630 7.006 12.643 1.00 0.00 C ATOM 1855 CZ PHE A 115 -8.633 6.225 12.102 1.00 0.00 C ATOM 0 H PHE A 115 -2.394 6.340 8.905 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.296 5.793 8.563 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.272 4.886 10.747 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -3.969 6.556 11.183 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.833 4.555 9.799 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.560 7.518 12.587 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -9.125 4.731 10.658 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -7.854 7.695 13.444 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.642 6.304 12.478 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.890 8.274 7.880 1.00 0.00 N ATOM 1866 CA ASP A 116 -3.864 9.703 7.560 1.00 0.00 C ATOM 1867 C ASP A 116 -4.277 9.911 6.109 1.00 0.00 C ATOM 1868 O ASP A 116 -5.435 10.224 5.823 1.00 0.00 O ATOM 1869 CB ASP A 116 -2.468 10.299 7.813 1.00 0.00 C ATOM 1870 CG ASP A 116 -2.123 10.402 9.292 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -1.728 9.379 9.892 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -2.244 11.509 9.861 1.00 0.00 O ATOM 0 H ASP A 116 -3.319 7.699 7.261 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.570 10.219 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.720 9.683 7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.416 11.291 7.364 1.00 0.00 H new ATOM 1877 N SER A 117 -3.334 9.706 5.192 1.00 0.00 N ATOM 1878 CA SER A 117 -3.623 9.785 3.767 1.00 0.00 C ATOM 1879 C SER A 117 -4.678 8.742 3.401 1.00 0.00 C ATOM 1880 O SER A 117 -5.588 9.012 2.621 1.00 0.00 O ATOM 1881 CB SER A 117 -2.341 9.578 2.948 1.00 0.00 C ATOM 1882 OG SER A 117 -2.581 9.730 1.561 1.00 0.00 O ATOM 0 H SER A 117 -2.363 9.484 5.413 1.00 0.00 H new ATOM 0 HA SER A 117 -4.013 10.776 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.584 10.294 3.268 1.00 0.00 H new ATOM 0 HB3 SER A 117 -1.941 8.583 3.142 1.00 0.00 H new ATOM 0 HG SER A 117 -2.648 8.847 1.142 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.556 7.557 4.002 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.555 6.498 3.859 1.00 0.00 C ATOM 1890 C TYR A 118 -6.935 6.999 4.277 1.00 0.00 C ATOM 1891 O TYR A 118 -7.916 6.859 3.539 1.00 0.00 O ATOM 1892 CB TYR A 118 -5.148 5.289 4.716 1.00 0.00 C ATOM 1893 CG TYR A 118 -6.235 4.242 4.908 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.585 3.372 3.884 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.903 4.123 6.125 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.566 2.416 4.064 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.883 3.168 6.313 1.00 0.00 C ATOM 1898 CZ TYR A 118 -8.212 2.316 5.281 1.00 0.00 C ATOM 1899 OH TYR A 118 -9.188 1.362 5.468 1.00 0.00 O ATOM 0 H TYR A 118 -3.767 7.306 4.598 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.604 6.199 2.812 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.282 4.812 4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.832 5.647 5.696 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.082 3.444 2.931 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.650 4.790 6.936 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.827 1.749 3.256 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -8.389 3.089 7.264 1.00 0.00 H new ATOM 0 HH TYR A 118 -9.539 1.428 6.380 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.998 7.599 5.464 1.00 0.00 N ATOM 1910 CA ALA A 119 -8.257 8.100 6.010 1.00 0.00 C ATOM 1911 C ALA A 119 -8.862 9.161 5.092 1.00 0.00 C ATOM 1912 O ALA A 119 -10.078 9.239 4.934 1.00 0.00 O ATOM 1913 CB ALA A 119 -8.040 8.661 7.411 1.00 0.00 C ATOM 0 H ALA A 119 -6.189 7.750 6.067 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.959 7.269 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.986 9.031 7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.658 7.875 8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.321 9.479 7.368 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.997 9.965 4.480 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.429 11.052 3.602 1.00 0.00 C ATOM 1921 C ARG A 120 -8.767 10.521 2.203 1.00 0.00 C ATOM 1922 O ARG A 120 -9.618 11.080 1.499 1.00 0.00 O ATOM 1923 CB ARG A 120 -7.328 12.122 3.543 1.00 0.00 C ATOM 1924 CG ARG A 120 -7.697 13.376 2.754 1.00 0.00 C ATOM 1925 CD ARG A 120 -6.727 14.522 3.041 1.00 0.00 C ATOM 1926 NE ARG A 120 -5.337 14.175 2.727 1.00 0.00 N ATOM 1927 CZ ARG A 120 -4.383 13.941 3.638 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -4.659 13.978 4.939 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -3.152 13.675 3.238 1.00 0.00 N ATOM 0 H ARG A 120 -6.985 9.884 4.576 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.337 11.503 4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -7.069 12.413 4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.435 11.681 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.691 13.151 1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.711 13.683 3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.020 15.396 2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.800 14.800 4.092 1.00 0.00 H new ATOM 0 HE ARG A 120 -5.078 14.107 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.607 14.186 5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -3.923 13.798 5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -2.934 13.649 2.242 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -2.420 13.496 3.925 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.116 9.426 1.821 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.352 8.785 0.528 1.00 0.00 C ATOM 1945 C PHE A 121 -9.815 8.375 0.392 1.00 0.00 C ATOM 1946 O PHE A 121 -10.495 8.766 -0.555 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.439 7.556 0.369 1.00 0.00 C ATOM 1948 CG PHE A 121 -7.757 6.705 -0.840 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -7.329 7.080 -2.105 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.481 5.526 -0.708 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -7.618 6.301 -3.211 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.772 4.746 -1.811 1.00 0.00 C ATOM 1953 CZ PHE A 121 -8.340 5.133 -3.063 1.00 0.00 C ATOM 0 H PHE A 121 -7.413 8.959 2.394 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.119 9.501 -0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.404 7.891 0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.517 6.940 1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -6.763 7.992 -2.228 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.821 5.215 0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.279 6.606 -4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.338 3.834 -1.693 1.00 0.00 H new ATOM 0 HZ PHE A 121 -8.566 4.524 -3.926 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.294 7.600 1.360 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.667 7.093 1.331 1.00 0.00 C ATOM 1965 C VAL A 122 -12.686 8.235 1.452 1.00 0.00 C ATOM 1966 O VAL A 122 -13.854 8.075 1.099 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.912 6.055 2.458 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.958 4.871 2.309 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.769 6.701 3.838 1.00 0.00 C ATOM 0 H VAL A 122 -9.754 7.308 2.175 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.803 6.601 0.368 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.934 5.686 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -11.143 4.152 3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.121 4.391 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.928 5.224 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -11.946 5.952 4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.763 7.105 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -12.497 7.506 3.940 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.231 9.383 1.963 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.083 10.571 2.092 1.00 0.00 C ATOM 1981 C LYS A 123 -13.225 11.282 0.749 1.00 0.00 C ATOM 1982 O LYS A 123 -14.206 11.994 0.513 1.00 0.00 O ATOM 1983 CB LYS A 123 -12.503 11.548 3.127 1.00 0.00 C ATOM 1984 CG LYS A 123 -12.530 11.025 4.557 1.00 0.00 C ATOM 1985 CD LYS A 123 -11.817 11.979 5.513 1.00 0.00 C ATOM 1986 CE LYS A 123 -11.851 11.477 6.951 1.00 0.00 C ATOM 1987 NZ LYS A 123 -13.235 11.419 7.491 1.00 0.00 N ATOM 0 H LYS A 123 -11.276 9.516 2.295 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.066 10.239 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -11.473 11.780 2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -13.062 12.483 3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.563 10.891 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.054 10.045 4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -10.781 12.102 5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -12.286 12.962 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -11.402 10.485 6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.245 12.132 7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -13.201 11.237 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -13.714 12.325 7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -13.759 10.654 7.021 1.00 0.00 H new ATOM 2001 N SER A 124 -12.230 11.097 -0.115 1.00 0.00 N ATOM 2002 CA SER A 124 -12.236 11.711 -1.438 1.00 0.00 C ATOM 2003 C SER A 124 -13.415 11.194 -2.271 1.00 0.00 C ATOM 2004 O SER A 124 -13.549 9.989 -2.484 1.00 0.00 O ATOM 2005 CB SER A 124 -10.910 11.430 -2.154 1.00 0.00 C ATOM 2006 OG SER A 124 -9.816 11.942 -1.411 1.00 0.00 O ATOM 0 H SER A 124 -11.408 10.525 0.079 1.00 0.00 H new ATOM 0 HA SER A 124 -12.351 12.788 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.788 10.356 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.925 11.882 -3.146 1.00 0.00 H new ATOM 0 HG SER A 124 -9.801 11.527 -0.523 1.00 0.00 H new ATOM 2012 N PRO A 125 -14.277 12.108 -2.765 1.00 0.00 N ATOM 2013 CA PRO A 125 -15.499 11.743 -3.501 1.00 0.00 C ATOM 2014 C PRO A 125 -15.229 10.834 -4.701 1.00 0.00 C ATOM 2015 O PRO A 125 -16.082 10.032 -5.080 1.00 0.00 O ATOM 2016 CB PRO A 125 -16.067 13.098 -3.963 1.00 0.00 C ATOM 2017 CG PRO A 125 -14.947 14.072 -3.807 1.00 0.00 C ATOM 2018 CD PRO A 125 -14.131 13.571 -2.650 1.00 0.00 C ATOM 0 HA PRO A 125 -16.183 11.171 -2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.404 13.050 -4.998 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -16.927 13.389 -3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.346 14.127 -4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -15.325 15.076 -3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.089 13.882 -2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -14.508 13.943 -1.697 1.00 0.00 H new ATOM 2026 N LEU A 126 -14.032 10.958 -5.275 1.00 0.00 N ATOM 2027 CA LEU A 126 -13.638 10.191 -6.462 1.00 0.00 C ATOM 2028 C LEU A 126 -13.747 8.683 -6.188 1.00 0.00 C ATOM 2029 O LEU A 126 -13.912 7.880 -7.109 1.00 0.00 O ATOM 2030 CB LEU A 126 -12.200 10.588 -6.873 1.00 0.00 C ATOM 2031 CG LEU A 126 -11.795 10.330 -8.347 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -10.534 11.122 -8.703 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -11.568 8.843 -8.623 1.00 0.00 C ATOM 0 H LEU A 126 -13.309 11.590 -4.933 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.312 10.422 -7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -12.069 11.650 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.503 10.050 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 126 -12.622 10.666 -8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.264 10.929 -9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.723 12.187 -8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.715 10.815 -8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.286 8.706 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -10.771 8.471 -7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.486 8.291 -8.419 1.00 0.00 H new ATOM 2045 N TYR A 127 -13.689 8.314 -4.907 1.00 0.00 N ATOM 2046 CA TYR A 127 -13.795 6.918 -4.486 1.00 0.00 C ATOM 2047 C TYR A 127 -15.051 6.267 -5.077 1.00 0.00 C ATOM 2048 O TYR A 127 -15.014 5.127 -5.555 1.00 0.00 O ATOM 2049 CB TYR A 127 -13.836 6.842 -2.950 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.661 5.444 -2.373 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -14.681 4.496 -2.437 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -12.472 5.077 -1.749 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -14.518 3.231 -1.900 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -12.304 3.815 -1.213 1.00 0.00 C ATOM 2055 CZ TYR A 127 -13.329 2.896 -1.289 1.00 0.00 C ATOM 2056 OH TYR A 127 -13.165 1.641 -0.748 1.00 0.00 O ATOM 0 H TYR A 127 -13.568 8.972 -4.137 1.00 0.00 H new ATOM 0 HA TYR A 127 -12.923 6.376 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -13.054 7.486 -2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -14.789 7.245 -2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -15.615 4.753 -2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -11.666 5.792 -1.683 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -15.319 2.509 -1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -11.372 3.549 -0.736 1.00 0.00 H new ATOM 0 HH TYR A 127 -13.727 1.553 0.050 1.00 0.00 H new ATOM 2066 N ARG A 128 -16.160 7.007 -5.064 1.00 0.00 N ATOM 2067 CA ARG A 128 -17.441 6.452 -5.488 1.00 0.00 C ATOM 2068 C ARG A 128 -17.471 6.255 -7.005 1.00 0.00 C ATOM 2069 O ARG A 128 -18.143 5.350 -7.493 1.00 0.00 O ATOM 2070 CB ARG A 128 -18.618 7.329 -5.002 1.00 0.00 C ATOM 2071 CG ARG A 128 -18.791 8.654 -5.745 1.00 0.00 C ATOM 2072 CD ARG A 128 -19.741 8.533 -6.937 1.00 0.00 C ATOM 2073 NE ARG A 128 -19.669 9.704 -7.804 1.00 0.00 N ATOM 2074 CZ ARG A 128 -20.617 10.077 -8.663 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -21.783 9.438 -8.701 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -20.394 11.108 -9.469 1.00 0.00 N ATOM 0 H ARG A 128 -16.196 7.982 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 128 -17.557 5.472 -5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -19.540 6.755 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -18.479 7.540 -3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -19.172 9.407 -5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -17.818 9.002 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -19.494 7.640 -7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -20.762 8.408 -6.577 1.00 0.00 H new ATOM 0 HE ARG A 128 -18.830 10.281 -7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -21.957 8.656 -8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -22.503 9.730 -9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -19.505 11.605 -9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -21.112 11.403 -10.131 1.00 0.00 H new ATOM 2090 N GLU A 129 -16.733 7.091 -7.749 1.00 0.00 N ATOM 2091 CA GLU A 129 -16.626 6.940 -9.207 1.00 0.00 C ATOM 2092 C GLU A 129 -16.017 5.583 -9.564 1.00 0.00 C ATOM 2093 O GLU A 129 -16.295 5.025 -10.627 1.00 0.00 O ATOM 2094 CB GLU A 129 -15.773 8.066 -9.837 1.00 0.00 C ATOM 2095 CG GLU A 129 -16.532 9.365 -10.147 1.00 0.00 C ATOM 2096 CD GLU A 129 -16.884 10.199 -8.923 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -16.528 9.813 -7.798 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -17.532 11.260 -9.083 1.00 0.00 O ATOM 0 H GLU A 129 -16.204 7.875 -7.367 1.00 0.00 H new ATOM 0 HA GLU A 129 -17.636 7.005 -9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -14.949 8.297 -9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -15.332 7.692 -10.761 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -15.928 9.971 -10.822 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -17.451 9.116 -10.678 1.00 0.00 H new ATOM 2105 N CYS A 130 -15.187 5.059 -8.669 1.00 0.00 N ATOM 2106 CA CYS A 130 -14.515 3.782 -8.896 1.00 0.00 C ATOM 2107 C CYS A 130 -15.398 2.604 -8.476 1.00 0.00 C ATOM 2108 O CYS A 130 -15.402 1.557 -9.125 1.00 0.00 O ATOM 2109 CB CYS A 130 -13.191 3.747 -8.128 1.00 0.00 C ATOM 2110 SG CYS A 130 -12.081 5.118 -8.520 1.00 0.00 S ATOM 0 H CYS A 130 -14.962 5.499 -7.777 1.00 0.00 H new ATOM 0 HA CYS A 130 -14.318 3.688 -9.964 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -13.402 3.758 -7.059 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.682 2.807 -8.343 1.00 0.00 H new ATOM 0 HG CYS A 130 -11.165 4.712 -9.348 1.00 0.00 H new