USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 795 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 72 HIS :FLIP no HE2:sc= -7.83! C(o=-8.9!,f=-8.7!) USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= -0.873 F(o=-9.7,f=-8.7) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -11.6! C(o=-12!,f=-21!) USER MOD Single : A 12 ASN : amide:sc= -0.602 X(o=-0.6,f=-0.48) USER MOD Single : A 19 ASN :FLIP amide:sc= -2.46 F(o=-6!,f=-2.5) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -82:sc= -5.61 USER MOD Single : A 28 ASN : amide:sc= -7.3! C(o=-7.3!,f=-14!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= -0.176 (180deg=-0.758) USER MOD Single : A 44 LYS NZ :NH3+ -145:sc= 1.28 (180deg=0.381) USER MOD Single : A 46 HIS : no HD1:sc= -1.94! X(o=-1.9!,f=-1.6) USER MOD Single : A 48 GLN :FLIP amide:sc= -1.73! C(o=-2.4!,f=-1.7!) USER MOD Single : A 61 ASN :FLIP amide:sc= -1.06 F(o=-3.1!,f=-1.1) USER MOD Single : A 62 GLN : amide:sc=-0.00924 K(o=-0.0092,f=-0.71) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 99:sc= -0.125 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.163) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 120:sc= -4.39 USER MOD Single : A 91 THR OG1 : rot -99:sc= 0.774 USER MOD Single : A 93 ASN :FLIP amide:sc= 0.501 F(o=0,f=0.5) USER MOD Single : A 96 LYS NZ :NH3+ 159:sc= -0.0936 (180deg=-0.453) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 1:sc= -2.8! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -15.940 1.622 -5.051 1.00 0.00 N ATOM 122 CA TYR A 8 -14.900 0.633 -5.232 1.00 0.00 C ATOM 123 C TYR A 8 -15.009 -0.378 -4.156 1.00 0.00 C ATOM 124 O TYR A 8 -16.064 -0.549 -3.540 1.00 0.00 O ATOM 125 CB TYR A 8 -13.527 1.314 -5.184 1.00 0.00 C ATOM 126 CG TYR A 8 -13.364 2.281 -4.030 1.00 0.00 C ATOM 127 CD1 TYR A 8 -13.470 1.858 -2.713 1.00 0.00 C ATOM 128 CD2 TYR A 8 -13.107 3.622 -4.262 1.00 0.00 C ATOM 129 CE1 TYR A 8 -13.328 2.741 -1.668 1.00 0.00 C ATOM 130 CE2 TYR A 8 -12.958 4.514 -3.217 1.00 0.00 C ATOM 131 CZ TYR A 8 -13.073 4.067 -1.926 1.00 0.00 C ATOM 132 OH TYR A 8 -12.927 4.950 -0.880 1.00 0.00 O ATOM 0 HA TYR A 8 -15.013 0.145 -6.200 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.754 0.548 -5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -13.364 1.849 -6.120 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -13.668 0.817 -2.505 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.021 3.977 -5.278 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.416 2.394 -0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.752 5.555 -3.416 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.750 5.847 -1.232 1.00 0.00 H new ATOM 142 N ASP A 9 -13.920 -1.091 -3.942 1.00 0.00 N ATOM 143 CA ASP A 9 -13.884 -2.155 -2.942 1.00 0.00 C ATOM 144 C ASP A 9 -12.595 -2.098 -2.139 1.00 0.00 C ATOM 145 O ASP A 9 -11.703 -2.924 -2.314 1.00 0.00 O ATOM 146 CB ASP A 9 -14.026 -3.518 -3.622 1.00 0.00 C ATOM 147 CG ASP A 9 -14.761 -4.524 -2.758 1.00 0.00 C ATOM 148 OD1 ASP A 9 -15.962 -4.315 -2.505 1.00 0.00 O ATOM 149 OD2 ASP A 9 -14.132 -5.519 -2.336 1.00 0.00 O ATOM 0 H ASP A 9 -13.043 -0.957 -4.446 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.719 -2.012 -2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.559 -3.396 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.036 -3.905 -3.863 1.00 0.00 H new ATOM 154 N ASN A 10 -12.503 -1.113 -1.258 1.00 0.00 N ATOM 155 CA ASN A 10 -11.317 -0.938 -0.436 1.00 0.00 C ATOM 156 C ASN A 10 -11.304 -1.958 0.643 1.00 0.00 C ATOM 157 O ASN A 10 -12.218 -1.993 1.464 1.00 0.00 O ATOM 158 CB ASN A 10 -11.274 0.403 0.077 1.00 0.00 C ATOM 159 CG ASN A 10 -10.022 1.140 -0.297 1.00 0.00 C ATOM 160 OD1 ASN A 10 -9.094 0.555 -0.830 1.00 0.00 O ATOM 161 ND2 ASN A 10 -9.990 2.439 -0.056 1.00 0.00 N ATOM 0 H ASN A 10 -13.236 -0.423 -1.095 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.418 -1.084 -1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.137 0.955 -0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.359 0.372 1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.170 2.986 -0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.785 2.894 0.392 1.00 0.00 H new ATOM 168 N ILE A 11 -10.257 -2.781 0.680 1.00 0.00 N ATOM 169 CA ILE A 11 -10.124 -3.788 1.724 1.00 0.00 C ATOM 170 C ILE A 11 -9.308 -3.254 2.900 1.00 0.00 C ATOM 171 O ILE A 11 -8.117 -2.973 2.763 1.00 0.00 O ATOM 172 CB ILE A 11 -9.484 -5.086 1.180 1.00 0.00 C ATOM 173 CG1 ILE A 11 -9.659 -6.235 2.167 1.00 0.00 C ATOM 174 CG2 ILE A 11 -8.005 -4.863 0.852 1.00 0.00 C ATOM 175 CD1 ILE A 11 -8.820 -6.114 3.417 1.00 0.00 C ATOM 0 H ILE A 11 -9.495 -2.769 0.002 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.129 -4.024 2.074 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.998 -5.358 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.709 -6.296 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.410 -7.170 1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.573 -5.788 0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.913 -4.082 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.474 -4.560 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.005 -6.972 4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.765 -6.085 3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.084 -5.198 3.945 1.00 0.00 H new ATOM 187 N ASN A 12 -9.950 -3.115 4.051 1.00 0.00 N ATOM 188 CA ASN A 12 -9.299 -2.609 5.253 1.00 0.00 C ATOM 189 C ASN A 12 -8.365 -1.438 4.956 1.00 0.00 C ATOM 190 O ASN A 12 -7.378 -1.216 5.662 1.00 0.00 O ATOM 191 CB ASN A 12 -8.519 -3.732 5.941 1.00 0.00 C ATOM 192 CG ASN A 12 -8.070 -3.358 7.349 1.00 0.00 C ATOM 193 OD1 ASN A 12 -6.887 -3.433 7.666 1.00 0.00 O ATOM 194 ND2 ASN A 12 -9.017 -2.952 8.174 1.00 0.00 N ATOM 0 H ASN A 12 -10.935 -3.349 4.179 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.084 -2.244 5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.141 -4.626 5.988 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.645 -3.983 5.340 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.780 -2.681 9.128 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.986 -2.909 7.857 1.00 0.00 H new ATOM 201 N LEU A 13 -8.679 -0.683 3.908 1.00 0.00 N ATOM 202 CA LEU A 13 -7.868 0.385 3.514 1.00 0.00 C ATOM 203 C LEU A 13 -8.230 1.611 4.339 1.00 0.00 C ATOM 204 O LEU A 13 -8.354 2.718 3.812 1.00 0.00 O ATOM 205 CB LEU A 13 -8.053 0.670 2.017 1.00 0.00 C ATOM 206 CG LEU A 13 -6.832 0.347 1.147 1.00 0.00 C ATOM 207 CD1 LEU A 13 -6.958 -0.968 0.554 1.00 0.00 C ATOM 208 CD2 LEU A 13 -6.672 1.386 0.058 1.00 0.00 C ATOM 0 H LEU A 13 -9.509 -0.821 3.331 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.821 0.131 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.904 0.093 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.304 1.723 1.890 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.949 0.360 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.081 -1.176 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.036 -1.717 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.852 -1.002 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.801 1.143 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.563 1.395 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.536 2.369 0.510 1.00 0.00 H new ATOM 220 N ASP A 14 -8.369 1.407 5.637 1.00 0.00 N ATOM 221 CA ASP A 14 -8.681 2.482 6.554 1.00 0.00 C ATOM 222 C ASP A 14 -7.567 2.594 7.585 1.00 0.00 C ATOM 223 O ASP A 14 -7.069 3.681 7.870 1.00 0.00 O ATOM 224 CB ASP A 14 -10.018 2.233 7.249 1.00 0.00 C ATOM 225 CG ASP A 14 -10.611 3.495 7.834 1.00 0.00 C ATOM 226 OD1 ASP A 14 -10.797 4.468 7.078 1.00 0.00 O ATOM 227 OD2 ASP A 14 -10.908 3.506 9.051 1.00 0.00 O ATOM 0 H ASP A 14 -8.269 0.494 6.081 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.762 3.414 5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.720 1.803 6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.880 1.499 8.043 1.00 0.00 H new ATOM 232 N GLU A 15 -7.170 1.446 8.109 1.00 0.00 N ATOM 233 CA GLU A 15 -6.105 1.383 9.088 1.00 0.00 C ATOM 234 C GLU A 15 -4.813 1.949 8.516 1.00 0.00 C ATOM 235 O GLU A 15 -4.011 2.543 9.233 1.00 0.00 O ATOM 236 CB GLU A 15 -5.883 -0.027 9.557 1.00 0.00 C ATOM 237 CG GLU A 15 -6.716 -0.362 10.774 1.00 0.00 C ATOM 238 CD GLU A 15 -6.050 -1.411 11.633 1.00 0.00 C ATOM 239 OE1 GLU A 15 -5.202 -1.046 12.475 1.00 0.00 O ATOM 240 OE2 GLU A 15 -6.363 -2.609 11.463 1.00 0.00 O ATOM 0 H GLU A 15 -7.574 0.541 7.869 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.407 1.988 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.126 -0.719 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.828 -0.168 9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.880 0.541 11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.696 -0.719 10.458 1.00 0.00 H new ATOM 247 N ILE A 16 -4.610 1.762 7.208 1.00 0.00 N ATOM 248 CA ILE A 16 -3.399 2.272 6.566 1.00 0.00 C ATOM 249 C ILE A 16 -3.555 3.736 6.185 1.00 0.00 C ATOM 250 O ILE A 16 -2.579 4.403 5.837 1.00 0.00 O ATOM 251 CB ILE A 16 -3.018 1.458 5.323 1.00 0.00 C ATOM 252 CG1 ILE A 16 -3.115 -0.011 5.616 1.00 0.00 C ATOM 253 CG2 ILE A 16 -1.611 1.833 4.872 1.00 0.00 C ATOM 254 CD1 ILE A 16 -4.415 -0.579 5.167 1.00 0.00 C ATOM 0 H ILE A 16 -5.254 1.272 6.586 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.597 2.174 7.297 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.713 1.688 4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.298 -0.535 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.996 -0.177 6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.345 1.252 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.577 2.896 4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.903 1.620 5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.446 -1.644 5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.231 -0.073 5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.522 -0.437 4.092 1.00 0.00 H new ATOM 266 N LEU A 17 -4.782 4.250 6.250 1.00 0.00 N ATOM 267 CA LEU A 17 -5.042 5.639 5.926 1.00 0.00 C ATOM 268 C LEU A 17 -5.144 6.486 7.195 1.00 0.00 C ATOM 269 O LEU A 17 -5.356 7.699 7.139 1.00 0.00 O ATOM 270 CB LEU A 17 -6.330 5.758 5.098 1.00 0.00 C ATOM 271 CG LEU A 17 -6.930 7.165 4.992 1.00 0.00 C ATOM 272 CD1 LEU A 17 -5.883 8.146 4.487 1.00 0.00 C ATOM 273 CD2 LEU A 17 -8.149 7.158 4.088 1.00 0.00 C ATOM 0 H LEU A 17 -5.608 3.719 6.525 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.207 6.015 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.127 5.394 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.080 5.096 5.531 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.249 7.485 5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.321 9.141 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.042 8.169 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.535 7.832 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.561 8.165 4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.862 6.821 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.901 6.483 4.497 1.00 0.00 H new ATOM 285 N ALA A 18 -4.980 5.838 8.346 1.00 0.00 N ATOM 286 CA ALA A 18 -5.043 6.529 9.629 1.00 0.00 C ATOM 287 C ALA A 18 -3.929 7.560 9.758 1.00 0.00 C ATOM 288 O ALA A 18 -4.195 8.761 9.790 1.00 0.00 O ATOM 289 CB ALA A 18 -4.973 5.525 10.766 1.00 0.00 C ATOM 0 H ALA A 18 -4.803 4.836 8.415 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.994 7.060 9.682 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.021 6.051 11.719 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.811 4.832 10.692 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.037 4.970 10.704 1.00 0.00 H new ATOM 295 N ASN A 19 -2.694 7.090 9.839 1.00 0.00 N ATOM 296 CA ASN A 19 -1.549 7.981 9.975 1.00 0.00 C ATOM 297 C ASN A 19 -0.260 7.245 9.821 1.00 0.00 C ATOM 298 O ASN A 19 -0.225 6.046 9.547 1.00 0.00 O ATOM 299 CB ASN A 19 -1.588 8.690 11.332 1.00 0.00 C ATOM 300 CG ASN A 19 -2.302 7.871 12.401 1.00 0.00 C ATOM 301 OD1 ASN A 19 -2.113 6.557 12.370 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -3.012 8.421 13.246 1.00 0.00 N flip ATOM 0 H ASN A 19 -2.458 6.098 9.813 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.610 8.722 9.178 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.569 8.897 11.659 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.089 9.652 11.221 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.129 9.434 13.232 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.482 7.863 13.959 1.00 0.00 H new ATOM 309 N LYS A 20 0.785 7.989 9.998 1.00 0.00 N ATOM 310 CA LYS A 20 2.132 7.435 9.879 1.00 0.00 C ATOM 311 C LYS A 20 2.329 6.244 10.803 1.00 0.00 C ATOM 312 O LYS A 20 3.040 5.310 10.461 1.00 0.00 O ATOM 313 CB LYS A 20 3.178 8.517 10.173 1.00 0.00 C ATOM 314 CG LYS A 20 3.322 8.862 11.647 1.00 0.00 C ATOM 315 CD LYS A 20 2.119 9.623 12.178 1.00 0.00 C ATOM 316 CE LYS A 20 1.891 10.915 11.410 1.00 0.00 C ATOM 317 NZ LYS A 20 0.787 11.721 11.995 1.00 0.00 N ATOM 0 H LYS A 20 0.751 8.983 10.226 1.00 0.00 H new ATOM 0 HA LYS A 20 2.260 7.085 8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.144 8.185 9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.913 9.421 9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.453 7.945 12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.221 9.460 11.792 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.231 8.995 12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.267 9.848 13.234 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.809 11.503 11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.660 10.683 10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.664 12.593 11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.095 11.170 11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.019 11.964 12.979 1.00 0.00 H new ATOM 331 N ARG A 21 1.702 6.260 11.964 1.00 0.00 N ATOM 332 CA ARG A 21 1.839 5.162 12.901 1.00 0.00 C ATOM 333 C ARG A 21 1.462 3.831 12.256 1.00 0.00 C ATOM 334 O ARG A 21 2.001 2.781 12.601 1.00 0.00 O ATOM 335 CB ARG A 21 1.008 5.412 14.175 1.00 0.00 C ATOM 336 CG ARG A 21 -0.425 5.101 14.034 1.00 0.00 C ATOM 337 CD ARG A 21 -0.840 3.972 14.953 1.00 0.00 C ATOM 338 NE ARG A 21 -0.774 2.664 14.309 1.00 0.00 N ATOM 339 CZ ARG A 21 -1.393 1.588 14.750 1.00 0.00 C ATOM 340 NH1 ARG A 21 -2.148 1.651 15.841 1.00 0.00 N ATOM 341 NH2 ARG A 21 -1.281 0.438 14.094 1.00 0.00 N ATOM 0 H ARG A 21 1.096 7.017 12.280 1.00 0.00 H new ATOM 0 HA ARG A 21 2.889 5.105 13.190 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.420 4.813 14.987 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.114 6.457 14.465 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.015 5.990 14.258 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.639 4.828 13.001 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.197 3.971 15.833 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.857 4.149 15.302 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.212 2.577 13.462 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.250 2.535 16.340 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.626 0.816 16.179 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.715 0.387 13.247 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.761 -0.394 14.437 1.00 0.00 H new ATOM 355 N LEU A 22 0.534 3.881 11.290 1.00 0.00 N ATOM 356 CA LEU A 22 0.102 2.676 10.605 1.00 0.00 C ATOM 357 C LEU A 22 0.888 2.475 9.315 1.00 0.00 C ATOM 358 O LEU A 22 1.462 1.407 9.097 1.00 0.00 O ATOM 359 CB LEU A 22 -1.316 2.722 10.324 1.00 0.00 C ATOM 360 CG LEU A 22 -2.196 2.086 11.399 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.305 3.043 11.831 1.00 0.00 C ATOM 362 CD2 LEU A 22 -2.782 0.778 10.910 1.00 0.00 C ATOM 0 H LEU A 22 0.078 4.737 10.975 1.00 0.00 H new ATOM 0 HA LEU A 22 0.296 1.830 11.264 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.615 3.763 10.197 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.502 2.219 9.375 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.570 1.877 12.266 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.918 2.568 12.597 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.863 3.954 12.234 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.927 3.291 10.971 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.405 0.343 11.692 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.388 0.960 10.023 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.975 0.088 10.663 1.00 0.00 H new ATOM 374 N LEU A 23 0.935 3.496 8.480 1.00 0.00 N ATOM 375 CA LEU A 23 1.676 3.402 7.227 1.00 0.00 C ATOM 376 C LEU A 23 3.117 3.003 7.533 1.00 0.00 C ATOM 377 O LEU A 23 3.698 2.165 6.848 1.00 0.00 O ATOM 378 CB LEU A 23 1.617 4.742 6.467 1.00 0.00 C ATOM 379 CG LEU A 23 2.956 5.284 5.937 1.00 0.00 C ATOM 380 CD1 LEU A 23 2.822 5.718 4.486 1.00 0.00 C ATOM 381 CD2 LEU A 23 3.444 6.439 6.798 1.00 0.00 C ATOM 0 H LEU A 23 0.476 4.393 8.640 1.00 0.00 H new ATOM 0 HA LEU A 23 1.227 2.643 6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.936 4.627 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.182 5.492 7.128 1.00 0.00 H new ATOM 0 HG LEU A 23 3.693 4.483 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.780 6.098 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.521 4.865 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.069 6.502 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.392 6.809 6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.707 7.242 6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.583 6.095 7.823 1.00 0.00 H new ATOM 393 N VAL A 24 3.666 3.605 8.569 1.00 0.00 N ATOM 394 CA VAL A 24 5.025 3.317 8.991 1.00 0.00 C ATOM 395 C VAL A 24 5.121 1.910 9.550 1.00 0.00 C ATOM 396 O VAL A 24 6.049 1.172 9.245 1.00 0.00 O ATOM 397 CB VAL A 24 5.527 4.339 10.044 1.00 0.00 C ATOM 398 CG1 VAL A 24 6.842 3.886 10.666 1.00 0.00 C ATOM 399 CG2 VAL A 24 5.675 5.719 9.407 1.00 0.00 C ATOM 0 H VAL A 24 3.188 4.303 9.139 1.00 0.00 H new ATOM 0 HA VAL A 24 5.663 3.399 8.111 1.00 0.00 H new ATOM 0 HB VAL A 24 4.788 4.400 10.843 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.170 4.622 11.400 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.700 2.923 11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.598 3.789 9.887 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.028 6.429 10.155 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.393 5.667 8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.710 6.047 9.022 1.00 0.00 H new ATOM 409 N ALA A 25 4.131 1.531 10.360 1.00 0.00 N ATOM 410 CA ALA A 25 4.103 0.206 10.927 1.00 0.00 C ATOM 411 C ALA A 25 4.064 -0.749 9.811 1.00 0.00 C ATOM 412 O ALA A 25 5.025 -1.499 9.608 1.00 0.00 O ATOM 413 CB ALA A 25 2.916 0.053 11.861 1.00 0.00 C ATOM 0 H ALA A 25 3.348 2.127 10.629 1.00 0.00 H new ATOM 0 HA ALA A 25 4.990 0.017 11.531 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.910 -0.953 12.280 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.992 0.782 12.668 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.993 0.220 11.306 1.00 0.00 H new ATOM 419 N TYR A 26 2.966 -0.755 9.065 1.00 0.00 N ATOM 420 CA TYR A 26 2.816 -1.678 7.945 1.00 0.00 C ATOM 421 C TYR A 26 4.034 -1.572 7.031 1.00 0.00 C ATOM 422 O TYR A 26 4.453 -2.559 6.426 1.00 0.00 O ATOM 423 CB TYR A 26 1.538 -1.375 7.166 1.00 0.00 C ATOM 424 CG TYR A 26 0.817 -2.615 6.665 1.00 0.00 C ATOM 425 CD1 TYR A 26 1.480 -3.583 5.923 1.00 0.00 C ATOM 426 CD2 TYR A 26 -0.467 -2.794 6.929 1.00 0.00 C ATOM 427 CE1 TYR A 26 0.815 -4.699 5.464 1.00 0.00 C ATOM 428 CE2 TYR A 26 -1.132 -3.907 6.470 1.00 0.00 C ATOM 429 CZ TYR A 26 -0.457 -4.855 5.733 1.00 0.00 C ATOM 430 OH TYR A 26 -1.119 -5.966 5.269 1.00 0.00 O ATOM 0 H TYR A 26 2.170 -0.135 9.213 1.00 0.00 H new ATOM 0 HA TYR A 26 2.744 -2.695 8.330 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.862 -0.805 7.803 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.784 -0.740 6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.530 -3.460 5.703 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.999 -2.057 7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.341 -5.443 4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.182 -4.038 6.687 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.386 -5.822 4.337 1.00 0.00 H new ATOM 440 N VAL A 27 4.617 -0.375 6.961 1.00 0.00 N ATOM 441 CA VAL A 27 5.807 -0.179 6.145 1.00 0.00 C ATOM 442 C VAL A 27 6.942 -1.048 6.641 1.00 0.00 C ATOM 443 O VAL A 27 7.524 -1.804 5.864 1.00 0.00 O ATOM 444 CB VAL A 27 6.241 1.247 6.149 1.00 0.00 C ATOM 445 CG1 VAL A 27 7.755 1.385 6.122 1.00 0.00 C ATOM 446 CG2 VAL A 27 5.613 1.983 4.976 1.00 0.00 C ATOM 0 H VAL A 27 4.289 0.457 7.451 1.00 0.00 H new ATOM 0 HA VAL A 27 5.550 -0.463 5.124 1.00 0.00 H new ATOM 0 HB VAL A 27 5.898 1.696 7.081 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.024 2.441 6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.180 0.899 7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.147 0.914 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.935 3.024 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.926 1.515 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.527 1.938 5.058 1.00 0.00 H new ATOM 456 N ASN A 28 7.238 -0.973 7.940 1.00 0.00 N ATOM 457 CA ASN A 28 8.282 -1.799 8.504 1.00 0.00 C ATOM 458 C ASN A 28 7.857 -3.257 8.456 1.00 0.00 C ATOM 459 O ASN A 28 8.689 -4.168 8.416 1.00 0.00 O ATOM 460 CB ASN A 28 8.589 -1.365 9.944 1.00 0.00 C ATOM 461 CG ASN A 28 7.437 -1.620 10.903 1.00 0.00 C ATOM 462 OD1 ASN A 28 6.796 -2.668 10.858 1.00 0.00 O ATOM 463 ND2 ASN A 28 7.185 -0.658 11.788 1.00 0.00 N ATOM 0 H ASN A 28 6.772 -0.355 8.605 1.00 0.00 H new ATOM 0 HA ASN A 28 9.193 -1.679 7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.472 -1.897 10.297 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.833 -0.303 9.953 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.433 -0.774 12.467 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.744 0.195 11.787 1.00 0.00 H new ATOM 470 N CYS A 29 6.545 -3.474 8.437 1.00 0.00 N ATOM 471 CA CYS A 29 5.985 -4.802 8.361 1.00 0.00 C ATOM 472 C CYS A 29 6.281 -5.397 6.996 1.00 0.00 C ATOM 473 O CYS A 29 6.528 -6.601 6.876 1.00 0.00 O ATOM 474 CB CYS A 29 4.486 -4.730 8.598 1.00 0.00 C ATOM 475 SG CYS A 29 4.023 -4.072 10.231 1.00 0.00 S ATOM 0 H CYS A 29 5.849 -2.730 8.474 1.00 0.00 H new ATOM 0 HA CYS A 29 6.431 -5.439 9.125 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.036 -4.106 7.826 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.063 -5.728 8.487 1.00 0.00 H new ATOM 480 N VAL A 30 6.273 -4.551 5.978 1.00 0.00 N ATOM 481 CA VAL A 30 6.564 -4.986 4.616 1.00 0.00 C ATOM 482 C VAL A 30 7.903 -5.733 4.569 1.00 0.00 C ATOM 483 O VAL A 30 8.118 -6.581 3.706 1.00 0.00 O ATOM 484 CB VAL A 30 6.621 -3.790 3.639 1.00 0.00 C ATOM 485 CG1 VAL A 30 6.900 -4.257 2.220 1.00 0.00 C ATOM 486 CG2 VAL A 30 5.327 -2.996 3.685 1.00 0.00 C ATOM 0 H VAL A 30 6.068 -3.556 6.067 1.00 0.00 H new ATOM 0 HA VAL A 30 5.757 -5.651 4.308 1.00 0.00 H new ATOM 0 HB VAL A 30 7.439 -3.142 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.935 -3.395 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.857 -4.778 2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.109 -4.933 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.389 -2.159 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.494 -3.641 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.168 -2.618 4.695 1.00 0.00 H new ATOM 496 N MET A 31 8.786 -5.409 5.519 1.00 0.00 N ATOM 497 CA MET A 31 10.092 -6.049 5.586 1.00 0.00 C ATOM 498 C MET A 31 10.072 -7.271 6.517 1.00 0.00 C ATOM 499 O MET A 31 11.106 -7.910 6.718 1.00 0.00 O ATOM 500 CB MET A 31 11.154 -5.044 6.064 1.00 0.00 C ATOM 501 CG MET A 31 12.331 -4.910 5.116 1.00 0.00 C ATOM 502 SD MET A 31 13.905 -4.763 5.982 1.00 0.00 S ATOM 503 CE MET A 31 13.738 -3.143 6.720 1.00 0.00 C ATOM 0 H MET A 31 8.617 -4.712 6.244 1.00 0.00 H new ATOM 0 HA MET A 31 10.345 -6.392 4.583 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.687 -4.067 6.191 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.520 -5.352 7.043 1.00 0.00 H new ATOM 0 HG2 MET A 31 12.363 -5.778 4.457 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.185 -4.034 4.483 1.00 0.00 H new ATOM 0 HE1 MET A 31 14.637 -2.909 7.291 1.00 0.00 H new ATOM 0 HE2 MET A 31 13.602 -2.398 5.936 1.00 0.00 H new ATOM 0 HE3 MET A 31 12.874 -3.133 7.384 1.00 0.00 H new ATOM 513 N GLU A 32 8.904 -7.578 7.076 1.00 0.00 N ATOM 514 CA GLU A 32 8.757 -8.718 7.982 1.00 0.00 C ATOM 515 C GLU A 32 9.308 -8.393 9.366 1.00 0.00 C ATOM 516 O GLU A 32 10.398 -8.822 9.739 1.00 0.00 O ATOM 517 CB GLU A 32 9.454 -9.964 7.416 1.00 0.00 C ATOM 518 CG GLU A 32 8.554 -11.178 7.315 1.00 0.00 C ATOM 519 CD GLU A 32 8.761 -12.160 8.447 1.00 0.00 C ATOM 520 OE1 GLU A 32 8.134 -11.994 9.511 1.00 0.00 O ATOM 521 OE2 GLU A 32 9.564 -13.103 8.267 1.00 0.00 O ATOM 0 H GLU A 32 8.044 -7.053 6.918 1.00 0.00 H new ATOM 0 HA GLU A 32 7.692 -8.928 8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.846 -9.731 6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.308 -10.209 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.514 -10.853 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.737 -11.682 6.366 1.00 0.00 H new ATOM 528 N ARG A 33 8.542 -7.615 10.126 1.00 0.00 N ATOM 529 CA ARG A 33 8.944 -7.213 11.469 1.00 0.00 C ATOM 530 C ARG A 33 8.390 -8.173 12.525 1.00 0.00 C ATOM 531 O ARG A 33 8.963 -8.327 13.599 1.00 0.00 O ATOM 532 CB ARG A 33 8.486 -5.795 11.767 1.00 0.00 C ATOM 533 CG ARG A 33 9.289 -4.731 11.039 1.00 0.00 C ATOM 534 CD ARG A 33 10.381 -4.151 11.921 1.00 0.00 C ATOM 535 NE ARG A 33 11.674 -4.777 11.672 1.00 0.00 N ATOM 536 CZ ARG A 33 12.813 -4.372 12.226 1.00 0.00 C ATOM 537 NH1 ARG A 33 12.827 -3.339 13.061 1.00 0.00 N ATOM 538 NH2 ARG A 33 13.951 -4.996 11.944 1.00 0.00 N ATOM 0 H ARG A 33 7.636 -7.250 9.832 1.00 0.00 H new ATOM 0 HA ARG A 33 10.033 -7.248 11.510 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.436 -5.696 11.493 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.554 -5.618 12.840 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.735 -5.161 10.143 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.623 -3.933 10.712 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.458 -3.078 11.745 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.110 -4.283 12.968 1.00 0.00 H new ATOM 0 HE ARG A 33 11.707 -5.573 11.035 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.960 -2.850 13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.705 -3.035 13.482 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.953 -5.788 11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.823 -4.683 12.370 1.00 0.00 H new ATOM 552 N GLY A 34 7.263 -8.815 12.213 1.00 0.00 N ATOM 553 CA GLY A 34 6.656 -9.749 13.147 1.00 0.00 C ATOM 554 C GLY A 34 5.276 -9.314 13.592 1.00 0.00 C ATOM 555 O GLY A 34 4.998 -8.118 13.694 1.00 0.00 O ATOM 0 H GLY A 34 6.762 -8.704 11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.590 -10.732 12.681 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.299 -9.853 14.021 1.00 0.00 H new ATOM 559 N LYS A 35 4.405 -10.283 13.860 1.00 0.00 N ATOM 560 CA LYS A 35 3.039 -10.005 14.297 1.00 0.00 C ATOM 561 C LYS A 35 2.366 -8.990 13.377 1.00 0.00 C ATOM 562 O LYS A 35 1.450 -8.275 13.783 1.00 0.00 O ATOM 563 CB LYS A 35 3.026 -9.493 15.738 1.00 0.00 C ATOM 564 CG LYS A 35 2.906 -10.596 16.775 1.00 0.00 C ATOM 565 CD LYS A 35 4.143 -11.474 16.811 1.00 0.00 C ATOM 566 CE LYS A 35 5.241 -10.853 17.655 1.00 0.00 C ATOM 567 NZ LYS A 35 6.017 -11.875 18.405 1.00 0.00 N ATOM 0 H LYS A 35 4.623 -11.276 13.781 1.00 0.00 H new ATOM 0 HA LYS A 35 2.479 -10.939 14.250 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.941 -8.930 15.923 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.195 -8.799 15.860 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.745 -10.154 17.758 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.032 -11.209 16.554 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.884 -12.454 17.213 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.508 -11.632 15.796 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.915 -10.287 17.012 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.801 -10.145 18.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.756 -11.406 18.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.380 -12.399 19.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.459 -12.536 17.735 1.00 0.00 H new ATOM 581 N CYS A 36 2.826 -8.945 12.143 1.00 0.00 N ATOM 582 CA CYS A 36 2.272 -8.052 11.148 1.00 0.00 C ATOM 583 C CYS A 36 1.917 -8.823 9.892 1.00 0.00 C ATOM 584 O CYS A 36 0.870 -8.605 9.283 1.00 0.00 O ATOM 585 CB CYS A 36 3.254 -6.932 10.824 1.00 0.00 C ATOM 586 SG CYS A 36 2.509 -5.275 10.829 1.00 0.00 S ATOM 0 H CYS A 36 3.593 -9.525 11.803 1.00 0.00 H new ATOM 0 HA CYS A 36 1.364 -7.604 11.553 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.068 -6.956 11.548 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.693 -7.119 9.844 1.00 0.00 H new ATOM 591 N SER A 37 2.791 -9.758 9.516 1.00 0.00 N ATOM 592 CA SER A 37 2.556 -10.589 8.346 1.00 0.00 C ATOM 593 C SER A 37 1.223 -11.329 8.504 1.00 0.00 C ATOM 594 O SER A 37 0.344 -11.212 7.657 1.00 0.00 O ATOM 595 CB SER A 37 3.700 -11.585 8.150 1.00 0.00 C ATOM 596 OG SER A 37 4.692 -11.060 7.289 1.00 0.00 O ATOM 0 H SER A 37 3.664 -9.954 10.006 1.00 0.00 H new ATOM 0 HA SER A 37 2.511 -9.952 7.463 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.144 -11.828 9.115 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.310 -12.515 7.736 1.00 0.00 H new ATOM 0 HG SER A 37 5.412 -11.716 7.182 1.00 0.00 H new ATOM 602 N PRO A 38 1.053 -12.083 9.610 1.00 0.00 N ATOM 603 CA PRO A 38 -0.154 -12.793 9.856 1.00 0.00 C ATOM 604 C PRO A 38 -1.302 -11.837 9.801 1.00 0.00 C ATOM 605 O PRO A 38 -2.353 -12.161 9.264 1.00 0.00 O ATOM 606 CB PRO A 38 -0.018 -13.362 11.276 1.00 0.00 C ATOM 607 CG PRO A 38 1.141 -12.644 11.859 1.00 0.00 C ATOM 608 CD PRO A 38 2.019 -12.264 10.701 1.00 0.00 C ATOM 0 HA PRO A 38 -0.328 -13.581 9.123 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.923 -13.192 11.859 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.152 -14.439 11.257 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.816 -11.760 12.409 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.678 -13.278 12.564 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.580 -11.351 10.901 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.747 -13.042 10.472 1.00 0.00 H new ATOM 616 N GLU A 39 -1.105 -10.638 10.348 1.00 0.00 N ATOM 617 CA GLU A 39 -2.129 -9.609 10.338 1.00 0.00 C ATOM 618 C GLU A 39 -1.784 -8.497 9.341 1.00 0.00 C ATOM 619 O GLU A 39 -1.911 -7.309 9.641 1.00 0.00 O ATOM 620 CB GLU A 39 -2.292 -9.017 11.743 1.00 0.00 C ATOM 621 CG GLU A 39 -2.594 -10.050 12.809 1.00 0.00 C ATOM 622 CD GLU A 39 -4.063 -10.086 13.188 1.00 0.00 C ATOM 623 OE1 GLU A 39 -4.833 -10.822 12.538 1.00 0.00 O ATOM 624 OE2 GLU A 39 -4.449 -9.369 14.136 1.00 0.00 O ATOM 0 H GLU A 39 -0.237 -10.360 10.805 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.068 -10.068 10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.379 -8.487 12.012 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.095 -8.280 11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.291 -11.034 12.452 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.999 -9.835 13.697 1.00 0.00 H new ATOM 631 N GLY A 40 -1.332 -8.908 8.155 1.00 0.00 N ATOM 632 CA GLY A 40 -0.961 -7.946 7.127 1.00 0.00 C ATOM 633 C GLY A 40 -0.625 -8.622 5.810 1.00 0.00 C ATOM 634 O GLY A 40 -1.202 -8.316 4.763 1.00 0.00 O ATOM 0 H GLY A 40 -1.217 -9.886 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.781 -7.244 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.103 -7.366 7.466 1.00 0.00 H new ATOM 638 N LYS A 41 0.244 -9.559 5.860 1.00 0.00 N ATOM 639 CA LYS A 41 0.686 -10.292 4.680 1.00 0.00 C ATOM 640 C LYS A 41 -0.423 -10.783 3.855 1.00 0.00 C ATOM 641 O LYS A 41 -0.299 -10.999 2.653 1.00 0.00 O ATOM 642 CB LYS A 41 1.560 -11.480 5.083 1.00 0.00 C ATOM 643 CG LYS A 41 2.779 -11.672 4.200 1.00 0.00 C ATOM 644 CD LYS A 41 2.421 -12.346 2.887 1.00 0.00 C ATOM 645 CE LYS A 41 3.658 -12.686 2.079 1.00 0.00 C ATOM 646 NZ LYS A 41 4.721 -13.306 2.914 1.00 0.00 N ATOM 0 H LYS A 41 0.691 -9.863 6.725 1.00 0.00 H new ATOM 0 HA LYS A 41 1.256 -9.580 4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.887 -11.345 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.957 -12.388 5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.239 -10.704 3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.520 -12.273 4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.855 -13.256 3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.774 -11.690 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.387 -13.368 1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.046 -11.780 1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.347 -13.877 2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.275 -12.560 3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.285 -13.916 3.635 1.00 0.00 H new ATOM 660 N GLU A 42 -1.578 -10.953 4.488 1.00 0.00 N ATOM 661 CA GLU A 42 -2.764 -11.407 3.779 1.00 0.00 C ATOM 662 C GLU A 42 -3.187 -10.359 2.762 1.00 0.00 C ATOM 663 O GLU A 42 -3.331 -10.656 1.573 1.00 0.00 O ATOM 664 CB GLU A 42 -3.909 -11.674 4.754 1.00 0.00 C ATOM 665 CG GLU A 42 -4.944 -12.659 4.230 1.00 0.00 C ATOM 666 CD GLU A 42 -5.814 -12.060 3.145 1.00 0.00 C ATOM 667 OE1 GLU A 42 -6.765 -11.325 3.490 1.00 0.00 O ATOM 668 OE2 GLU A 42 -5.547 -12.325 1.961 1.00 0.00 O ATOM 0 H GLU A 42 -1.716 -10.784 5.484 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.525 -12.338 3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.497 -12.057 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.403 -10.731 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.437 -13.541 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.574 -12.992 5.054 1.00 0.00 H new ATOM 675 N LEU A 43 -3.362 -9.123 3.219 1.00 0.00 N ATOM 676 CA LEU A 43 -3.727 -8.035 2.336 1.00 0.00 C ATOM 677 C LEU A 43 -2.626 -7.811 1.311 1.00 0.00 C ATOM 678 O LEU A 43 -2.888 -7.628 0.143 1.00 0.00 O ATOM 679 CB LEU A 43 -3.978 -6.753 3.137 1.00 0.00 C ATOM 680 CG LEU A 43 -4.789 -6.936 4.416 1.00 0.00 C ATOM 681 CD1 LEU A 43 -3.897 -6.825 5.642 1.00 0.00 C ATOM 682 CD2 LEU A 43 -5.912 -5.902 4.492 1.00 0.00 C ATOM 0 H LEU A 43 -3.255 -8.856 4.198 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.648 -8.299 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.016 -6.311 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.495 -6.039 2.497 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.229 -7.933 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.497 -6.959 6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.126 -7.595 5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.427 -5.842 5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.480 -6.048 5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.484 -4.899 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.574 -6.020 3.634 1.00 0.00 H new ATOM 694 N LYS A 44 -1.382 -7.854 1.790 1.00 0.00 N ATOM 695 CA LYS A 44 -0.250 -7.681 0.915 1.00 0.00 C ATOM 696 C LYS A 44 -0.149 -8.861 -0.012 1.00 0.00 C ATOM 697 O LYS A 44 0.253 -8.712 -1.091 1.00 0.00 O ATOM 698 CB LYS A 44 0.972 -7.550 1.731 1.00 0.00 C ATOM 699 CG LYS A 44 1.040 -6.269 2.552 1.00 0.00 C ATOM 700 CD LYS A 44 0.869 -5.042 1.675 1.00 0.00 C ATOM 701 CE LYS A 44 1.648 -3.861 2.217 1.00 0.00 C ATOM 702 NZ LYS A 44 0.921 -2.573 2.024 1.00 0.00 N ATOM 0 H LYS A 44 -1.147 -8.006 2.771 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.372 -6.780 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.039 -8.404 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.841 -7.594 1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.263 -6.283 3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.997 -6.217 3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.204 -5.267 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.188 -4.784 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.842 -4.012 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.617 -3.808 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.605 -1.814 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.266 -2.661 1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.384 -2.345 2.885 1.00 0.00 H new ATOM 716 N GLU A 45 -0.590 -10.018 0.416 1.00 0.00 N ATOM 717 CA GLU A 45 -0.573 -11.225 -0.340 1.00 0.00 C ATOM 718 C GLU A 45 -1.574 -11.067 -1.455 1.00 0.00 C ATOM 719 O GLU A 45 -1.256 -11.294 -2.623 1.00 0.00 O ATOM 720 CB GLU A 45 -0.912 -12.451 0.439 1.00 0.00 C ATOM 721 CG GLU A 45 0.230 -13.144 1.013 1.00 0.00 C ATOM 722 CD GLU A 45 0.338 -14.597 0.598 1.00 0.00 C ATOM 723 OE1 GLU A 45 -0.075 -14.928 -0.461 1.00 0.00 O ATOM 724 OE2 GLU A 45 0.878 -15.411 1.381 1.00 0.00 O ATOM 0 H GLU A 45 -0.988 -10.139 1.347 1.00 0.00 H new ATOM 0 HA GLU A 45 0.448 -11.372 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.594 -12.176 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.448 -13.141 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.142 -12.624 0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.166 -13.090 2.100 1.00 0.00 H new ATOM 731 N HIS A 46 -2.777 -10.652 -1.096 1.00 0.00 N ATOM 732 CA HIS A 46 -3.832 -10.445 -2.073 1.00 0.00 C ATOM 733 C HIS A 46 -3.410 -9.383 -3.087 1.00 0.00 C ATOM 734 O HIS A 46 -3.719 -9.493 -4.276 1.00 0.00 O ATOM 735 CB HIS A 46 -5.123 -10.019 -1.383 1.00 0.00 C ATOM 736 CG HIS A 46 -5.991 -11.164 -0.970 1.00 0.00 C ATOM 737 ND1 HIS A 46 -7.350 -11.054 -0.762 1.00 0.00 N ATOM 738 CD2 HIS A 46 -5.681 -12.458 -0.719 1.00 0.00 C ATOM 739 CE1 HIS A 46 -7.829 -12.229 -0.415 1.00 0.00 C ATOM 740 NE2 HIS A 46 -6.841 -13.092 -0.374 1.00 0.00 N ATOM 0 H HIS A 46 -3.048 -10.451 -0.133 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.008 -11.386 -2.595 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.875 -9.427 -0.502 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.687 -9.371 -2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.700 -12.905 -0.780 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.864 -12.447 -0.199 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.926 -14.077 -0.125 1.00 0.00 H new ATOM 749 N LEU A 47 -2.698 -8.360 -2.613 1.00 0.00 N ATOM 750 CA LEU A 47 -2.239 -7.292 -3.485 1.00 0.00 C ATOM 751 C LEU A 47 -1.013 -7.720 -4.278 1.00 0.00 C ATOM 752 O LEU A 47 -1.033 -7.721 -5.509 1.00 0.00 O ATOM 753 CB LEU A 47 -1.924 -6.037 -2.669 1.00 0.00 C ATOM 754 CG LEU A 47 -2.251 -4.710 -3.352 1.00 0.00 C ATOM 755 CD1 LEU A 47 -3.752 -4.536 -3.484 1.00 0.00 C ATOM 756 CD2 LEU A 47 -1.649 -3.549 -2.587 1.00 0.00 C ATOM 0 H LEU A 47 -2.431 -8.253 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.040 -7.067 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.475 -6.088 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.863 -6.045 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.814 -4.724 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.967 -3.586 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.162 -5.351 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.208 -4.546 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.895 -2.614 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.053 -3.532 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.566 -3.664 -2.544 1.00 0.00 H new ATOM 768 N GLN A 48 0.002 -8.090 -3.573 1.00 0.00 N ATOM 769 CA GLN A 48 1.205 -8.530 -4.235 1.00 0.00 C ATOM 770 C GLN A 48 0.900 -9.598 -5.276 1.00 0.00 C ATOM 771 O GLN A 48 1.599 -9.713 -6.281 1.00 0.00 O ATOM 772 CB GLN A 48 2.197 -9.065 -3.197 1.00 0.00 C ATOM 773 CG GLN A 48 1.852 -10.442 -2.653 1.00 0.00 C ATOM 774 CD GLN A 48 2.677 -10.821 -1.447 1.00 0.00 C ATOM 775 OE1 GLN A 48 2.703 -9.948 -0.454 1.00 0.00 O flip ATOM 776 NE2 GLN A 48 3.289 -11.895 -1.407 1.00 0.00 N flip ATOM 0 H GLN A 48 0.034 -8.101 -2.554 1.00 0.00 H new ATOM 0 HA GLN A 48 1.647 -7.678 -4.752 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.189 -9.103 -3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.250 -8.362 -2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.795 -10.468 -2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.001 -11.185 -3.437 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.241 -12.539 -2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.842 -12.137 -0.585 1.00 0.00 H new ATOM 785 N ASP A 49 -0.094 -10.366 -5.036 1.00 0.00 N ATOM 786 CA ASP A 49 -0.489 -11.416 -5.955 1.00 0.00 C ATOM 787 C ASP A 49 -0.859 -10.817 -7.307 1.00 0.00 C ATOM 788 O ASP A 49 -0.730 -11.479 -8.341 1.00 0.00 O ATOM 789 CB ASP A 49 -1.667 -12.194 -5.381 1.00 0.00 C ATOM 790 CG ASP A 49 -2.091 -13.345 -6.278 1.00 0.00 C ATOM 791 OD1 ASP A 49 -2.398 -13.085 -7.464 1.00 0.00 O ATOM 792 OD2 ASP A 49 -2.120 -14.499 -5.794 1.00 0.00 O ATOM 0 H ASP A 49 -0.673 -10.301 -4.199 1.00 0.00 H new ATOM 0 HA ASP A 49 0.349 -12.099 -6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.399 -12.582 -4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.510 -11.518 -5.238 1.00 0.00 H new ATOM 797 N ALA A 50 -1.319 -9.567 -7.297 1.00 0.00 N ATOM 798 CA ALA A 50 -1.701 -8.877 -8.528 1.00 0.00 C ATOM 799 C ALA A 50 -0.673 -9.101 -9.630 1.00 0.00 C ATOM 800 O ALA A 50 -1.038 -9.313 -10.785 1.00 0.00 O ATOM 801 CB ALA A 50 -1.875 -7.389 -8.263 1.00 0.00 C ATOM 0 H ALA A 50 -1.436 -9.011 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.650 -9.292 -8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.159 -6.886 -9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.654 -7.241 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.937 -6.972 -7.897 1.00 0.00 H new ATOM 807 N ILE A 51 0.539 -9.058 -9.274 1.00 0.00 N ATOM 808 CA ILE A 51 1.614 -9.258 -10.231 1.00 0.00 C ATOM 809 C ILE A 51 1.315 -8.548 -11.545 1.00 0.00 C ATOM 810 O ILE A 51 0.693 -9.118 -12.441 1.00 0.00 O ATOM 811 CB ILE A 51 1.848 -10.760 -10.511 1.00 0.00 C ATOM 812 CG1 ILE A 51 2.013 -11.529 -9.199 1.00 0.00 C ATOM 813 CG2 ILE A 51 3.078 -10.949 -11.386 1.00 0.00 C ATOM 814 CD1 ILE A 51 1.367 -12.897 -9.219 1.00 0.00 C ATOM 0 H ILE A 51 0.849 -8.885 -8.318 1.00 0.00 H new ATOM 0 HA ILE A 51 2.516 -8.835 -9.788 1.00 0.00 H new ATOM 0 HB ILE A 51 0.978 -11.152 -11.038 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.076 -11.640 -8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.582 -10.944 -8.387 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.230 -12.012 -11.575 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.934 -10.429 -12.333 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.952 -10.542 -10.878 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.522 -13.387 -8.258 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.298 -12.792 -9.404 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.815 -13.499 -10.010 1.00 0.00 H new ATOM 940 N GLU A 60 -8.969 -3.882 -10.884 1.00 0.00 N ATOM 941 CA GLU A 60 -8.153 -2.709 -10.575 1.00 0.00 C ATOM 942 C GLU A 60 -8.861 -1.768 -9.617 1.00 0.00 C ATOM 943 O GLU A 60 -8.243 -0.853 -9.079 1.00 0.00 O ATOM 944 CB GLU A 60 -7.798 -1.971 -11.868 1.00 0.00 C ATOM 945 CG GLU A 60 -6.682 -0.955 -11.686 1.00 0.00 C ATOM 946 CD GLU A 60 -5.999 -0.605 -12.998 1.00 0.00 C ATOM 947 OE1 GLU A 60 -5.522 -1.534 -13.682 1.00 0.00 O ATOM 948 OE2 GLU A 60 -5.938 0.520 -13.337 1.00 0.00 O ATOM 0 HA GLU A 60 -7.242 -3.054 -10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.500 -2.697 -12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.686 -1.463 -12.245 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.089 -0.048 -11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.943 -1.351 -10.989 1.00 0.00 H new ATOM 955 N ASN A 61 -10.161 -1.981 -9.404 1.00 0.00 N ATOM 956 CA ASN A 61 -10.925 -1.133 -8.495 1.00 0.00 C ATOM 957 C ASN A 61 -10.188 -0.963 -7.178 1.00 0.00 C ATOM 958 O ASN A 61 -10.131 0.075 -6.614 1.00 0.00 O ATOM 959 CB ASN A 61 -12.326 -1.718 -8.257 1.00 0.00 C ATOM 960 CG ASN A 61 -12.289 -3.001 -7.432 1.00 0.00 C ATOM 961 OD1 ASN A 61 -12.104 -2.851 -6.124 1.00 0.00 O flip ATOM 962 ND2 ASN A 61 -12.433 -4.098 -7.965 1.00 0.00 N flip ATOM 0 H ASN A 61 -10.700 -2.726 -9.845 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.037 -0.152 -8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.943 -0.979 -7.746 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.800 -1.921 -9.217 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.572 -4.161 -8.974 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.413 -4.946 -7.399 1.00 0.00 H new ATOM 969 N GLN A 62 -9.596 -2.052 -6.695 1.00 0.00 N ATOM 970 CA GLN A 62 -8.844 -2.025 -5.450 1.00 0.00 C ATOM 971 C GLN A 62 -7.709 -1.013 -5.558 1.00 0.00 C ATOM 972 O GLN A 62 -7.386 -0.314 -4.596 1.00 0.00 O ATOM 973 CB GLN A 62 -8.282 -3.419 -5.127 1.00 0.00 C ATOM 974 CG GLN A 62 -9.284 -4.543 -5.340 1.00 0.00 C ATOM 975 CD GLN A 62 -8.793 -5.874 -4.812 1.00 0.00 C ATOM 976 OE1 GLN A 62 -8.140 -5.938 -3.772 1.00 0.00 O ATOM 977 NE2 GLN A 62 -9.091 -6.943 -5.534 1.00 0.00 N ATOM 0 H GLN A 62 -9.624 -2.964 -7.150 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.513 -1.730 -4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.406 -3.602 -5.749 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.946 -3.435 -4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.222 -4.286 -4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.498 -4.636 -6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.635 -6.844 -6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.776 -7.865 -5.233 1.00 0.00 H new ATOM 986 N GLU A 63 -7.137 -0.930 -6.751 1.00 0.00 N ATOM 987 CA GLU A 63 -6.057 -0.025 -7.016 1.00 0.00 C ATOM 988 C GLU A 63 -6.519 1.345 -6.765 1.00 0.00 C ATOM 989 O GLU A 63 -5.742 2.208 -6.371 1.00 0.00 O ATOM 990 CB GLU A 63 -5.580 -0.158 -8.457 1.00 0.00 C ATOM 991 CG GLU A 63 -4.238 0.434 -8.735 1.00 0.00 C ATOM 992 CD GLU A 63 -4.000 0.665 -10.208 1.00 0.00 C ATOM 993 OE1 GLU A 63 -4.917 1.159 -10.893 1.00 0.00 O ATOM 994 OE2 GLU A 63 -2.889 0.353 -10.687 1.00 0.00 O ATOM 0 H GLU A 63 -7.417 -1.493 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.219 -0.264 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.555 -1.216 -8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.312 0.316 -9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.145 1.381 -8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.465 -0.228 -8.345 1.00 0.00 H new ATOM 1001 N LYS A 64 -7.816 1.591 -6.985 1.00 0.00 N ATOM 1002 CA LYS A 64 -8.383 2.905 -6.772 1.00 0.00 C ATOM 1003 C LYS A 64 -8.239 3.316 -5.312 1.00 0.00 C ATOM 1004 O LYS A 64 -7.548 4.292 -4.995 1.00 0.00 O ATOM 1005 CB LYS A 64 -9.857 2.932 -7.184 1.00 0.00 C ATOM 1006 CG LYS A 64 -10.093 2.486 -8.623 1.00 0.00 C ATOM 1007 CD LYS A 64 -11.475 2.887 -9.106 1.00 0.00 C ATOM 1008 CE LYS A 64 -12.546 1.952 -8.583 1.00 0.00 C ATOM 1009 NZ LYS A 64 -13.314 1.311 -9.688 1.00 0.00 N ATOM 0 H LYS A 64 -8.483 0.891 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.837 3.616 -7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.426 2.287 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.243 3.943 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.337 2.928 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.981 1.404 -8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.692 3.905 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.493 2.888 -10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.085 1.180 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.230 2.507 -7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.037 0.679 -9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.776 2.046 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.666 0.760 -10.287 1.00 0.00 H new ATOM 1023 N GLY A 65 -8.870 2.559 -4.417 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.772 2.854 -2.998 1.00 0.00 C ATOM 1025 C GLY A 65 -7.334 2.945 -2.564 1.00 0.00 C ATOM 1026 O GLY A 65 -6.955 3.846 -1.815 1.00 0.00 O ATOM 0 H GLY A 65 -9.445 1.749 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.281 3.794 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.280 2.078 -2.426 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.516 2.019 -3.053 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.103 2.012 -2.721 1.00 0.00 C ATOM 1032 C ALA A 66 -4.481 3.340 -3.100 1.00 0.00 C ATOM 1033 O ALA A 66 -3.963 4.057 -2.245 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.394 0.870 -3.421 1.00 0.00 C ATOM 0 H ALA A 66 -6.809 1.268 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.994 1.866 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.336 0.883 -3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.834 -0.077 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.502 0.982 -4.500 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.552 3.690 -4.389 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.010 4.958 -4.871 1.00 0.00 C ATOM 1042 C TYR A 67 -4.392 6.090 -3.932 1.00 0.00 C ATOM 1043 O TYR A 67 -3.536 6.810 -3.429 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.507 5.253 -6.288 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.537 6.066 -7.123 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.694 7.006 -6.537 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.467 5.892 -8.498 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.809 7.753 -7.295 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.584 6.637 -9.268 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.758 7.561 -8.664 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.884 8.298 -9.426 1.00 0.00 O ATOM 0 H TYR A 67 -4.979 3.112 -5.113 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.923 4.878 -4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.706 4.310 -6.796 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.455 5.788 -6.226 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.731 7.156 -5.468 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.109 5.167 -8.976 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.164 8.479 -6.822 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.544 6.493 -10.338 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.086 7.763 -9.618 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.692 6.217 -3.667 1.00 0.00 N ATOM 1062 CA ARG A 68 -6.157 7.250 -2.748 1.00 0.00 C ATOM 1063 C ARG A 68 -5.375 7.168 -1.439 1.00 0.00 C ATOM 1064 O ARG A 68 -4.933 8.191 -0.900 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.654 7.079 -2.473 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.396 8.395 -2.311 1.00 0.00 C ATOM 1067 CD ARG A 68 -8.900 8.916 -3.642 1.00 0.00 C ATOM 1068 NE ARG A 68 -9.793 10.061 -3.476 1.00 0.00 N ATOM 1069 CZ ARG A 68 -10.574 10.539 -4.448 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -10.577 9.971 -5.649 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -11.358 11.585 -4.215 1.00 0.00 N ATOM 0 H ARG A 68 -6.426 5.631 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.993 8.227 -3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.103 6.516 -3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.783 6.485 -1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.237 8.259 -1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.735 9.133 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.052 9.204 -4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.425 8.119 -4.168 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.821 10.521 -2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.980 9.165 -5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.176 10.341 -6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.364 12.023 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.955 11.950 -4.957 1.00 0.00 H new ATOM 1085 N VAL A 69 -5.169 5.942 -0.971 1.00 0.00 N ATOM 1086 CA VAL A 69 -4.416 5.720 0.175 1.00 0.00 C ATOM 1087 C VAL A 69 -2.934 5.981 -0.022 1.00 0.00 C ATOM 1088 O VAL A 69 -2.208 6.336 0.877 1.00 0.00 O ATOM 1089 CB VAL A 69 -4.627 4.293 0.711 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -3.691 4.004 1.878 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -6.077 4.097 1.138 1.00 0.00 C ATOM 0 H VAL A 69 -5.538 5.096 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.776 6.441 0.909 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.397 3.592 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.861 2.989 2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.657 4.104 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.885 4.712 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.211 3.083 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.325 4.812 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.733 4.256 0.282 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.481 5.820 -1.214 1.00 0.00 N ATOM 1102 CA ILE A 70 -1.085 6.047 -1.533 1.00 0.00 C ATOM 1103 C ILE A 70 -0.800 7.542 -1.570 1.00 0.00 C ATOM 1104 O ILE A 70 0.164 7.996 -1.109 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.664 5.376 -2.869 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.722 4.957 -2.779 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.869 6.294 -4.073 1.00 0.00 C ATOM 1108 CD1 ILE A 70 0.913 3.486 -2.513 1.00 0.00 C ATOM 0 H ILE A 70 -3.053 5.528 -2.007 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.489 5.582 -0.748 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.305 4.509 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.227 5.214 -3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.209 5.523 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.559 5.777 -4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.922 6.564 -4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.272 7.197 -3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.978 3.261 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.440 3.223 -1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.459 2.909 -3.318 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.737 8.308 -2.118 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.600 9.747 -2.206 1.00 0.00 C ATOM 1122 C GLU A 71 -1.736 10.352 -0.823 1.00 0.00 C ATOM 1123 O GLU A 71 -1.088 11.357 -0.517 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.644 10.338 -3.147 1.00 0.00 C ATOM 1125 CG GLU A 71 -4.072 9.952 -2.794 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.098 10.649 -3.667 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.419 11.826 -3.377 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.574 10.024 -4.637 1.00 0.00 O ATOM 0 H GLU A 71 -2.606 7.946 -2.510 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.615 9.981 -2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.557 11.424 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.430 10.012 -4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.188 8.873 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.263 10.197 -1.749 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.580 9.748 -0.026 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.792 10.247 1.267 1.00 0.00 C ATOM 1137 C HIS A 72 -1.591 9.931 2.157 1.00 0.00 C ATOM 1138 O HIS A 72 -1.180 10.759 2.966 1.00 0.00 O ATOM 1139 CB HIS A 72 -4.065 9.652 1.864 1.00 0.00 C ATOM 1140 CG HIS A 72 -4.513 10.329 3.116 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -3.845 10.623 4.253 1.00 0.00 N flip ATOM 1142 CD2 HIS A 72 -5.799 10.797 3.306 1.00 0.00 C flip ATOM 1143 CE1 HIS A 72 -4.721 11.260 5.093 1.00 0.00 C flip ATOM 1144 NE2 HIS A 72 -5.897 11.349 4.498 1.00 0.00 N flip ATOM 0 H HIS A 72 -3.119 8.916 -0.267 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.910 11.329 1.209 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.864 9.709 1.125 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.899 8.595 2.072 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -2.867 10.410 4.450 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.601 10.722 2.587 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.488 11.629 6.081 1.00 0.00 H new ATOM 1153 N LEU A 73 -1.032 8.741 2.004 1.00 0.00 N ATOM 1154 CA LEU A 73 0.051 8.356 2.789 1.00 0.00 C ATOM 1155 C LEU A 73 1.299 8.991 2.206 1.00 0.00 C ATOM 1156 O LEU A 73 2.230 9.364 2.934 1.00 0.00 O ATOM 1157 CB LEU A 73 0.184 6.833 2.831 1.00 0.00 C ATOM 1158 CG LEU A 73 -0.427 6.154 4.018 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -0.100 6.840 5.325 1.00 0.00 C ATOM 1160 CD2 LEU A 73 -1.930 6.140 3.824 1.00 0.00 C ATOM 0 H LEU A 73 -1.339 8.043 1.327 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.096 8.691 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.270 6.423 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.244 6.579 2.798 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.015 5.147 4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.571 6.301 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.980 6.851 5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.473 7.864 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.402 5.650 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.296 7.164 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.174 5.596 2.911 1.00 0.00 H new ATOM 1172 N ILE A 74 1.305 9.131 0.878 1.00 0.00 N ATOM 1173 CA ILE A 74 2.433 9.740 0.183 1.00 0.00 C ATOM 1174 C ILE A 74 2.771 11.078 0.821 1.00 0.00 C ATOM 1175 O ILE A 74 3.934 11.425 0.986 1.00 0.00 O ATOM 1176 CB ILE A 74 2.129 9.907 -1.241 1.00 0.00 C ATOM 1177 CG1 ILE A 74 2.622 8.686 -2.018 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.760 11.180 -1.803 1.00 0.00 C ATOM 1179 CD1 ILE A 74 1.786 8.352 -3.237 1.00 0.00 C ATOM 0 H ILE A 74 0.544 8.831 0.268 1.00 0.00 H new ATOM 0 HA ILE A 74 3.298 9.083 0.269 1.00 0.00 H new ATOM 0 HB ILE A 74 1.048 9.998 -1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.651 8.860 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.634 7.824 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.514 11.272 -2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.374 12.046 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.843 11.132 -1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.201 7.474 -3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.761 8.145 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.794 9.196 -3.926 1.00 0.00 H new ATOM 1191 N LYS A 75 1.731 11.821 1.199 1.00 0.00 N ATOM 1192 CA LYS A 75 1.914 13.101 1.835 1.00 0.00 C ATOM 1193 C LYS A 75 2.179 12.935 3.320 1.00 0.00 C ATOM 1194 O LYS A 75 2.916 13.718 3.922 1.00 0.00 O ATOM 1195 CB LYS A 75 0.680 13.962 1.618 1.00 0.00 C ATOM 1196 CG LYS A 75 0.526 14.468 0.200 1.00 0.00 C ATOM 1197 CD LYS A 75 1.349 15.723 0.011 1.00 0.00 C ATOM 1198 CE LYS A 75 0.515 16.982 0.129 1.00 0.00 C ATOM 1199 NZ LYS A 75 0.480 17.459 1.525 1.00 0.00 N ATOM 0 H LYS A 75 0.757 11.548 1.070 1.00 0.00 H new ATOM 0 HA LYS A 75 2.780 13.590 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.205 13.385 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.721 14.815 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.847 13.702 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.523 14.675 -0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.146 15.747 0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.827 15.697 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.928 17.759 -0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.499 16.785 -0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.050 18.406 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.084 16.803 2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.449 17.505 1.900 1.00 0.00 H new ATOM 1213 N ASN A 76 1.594 11.896 3.916 1.00 0.00 N ATOM 1214 CA ASN A 76 1.797 11.620 5.336 1.00 0.00 C ATOM 1215 C ASN A 76 3.282 11.573 5.647 1.00 0.00 C ATOM 1216 O ASN A 76 3.730 12.150 6.634 1.00 0.00 O ATOM 1217 CB ASN A 76 1.137 10.294 5.714 1.00 0.00 C ATOM 1218 CG ASN A 76 -0.244 10.467 6.194 1.00 0.00 C ATOM 1219 OD1 ASN A 76 -0.951 11.345 5.538 1.00 0.00 O flip ATOM 1220 ND2 ASN A 76 -0.644 9.817 7.152 1.00 0.00 N flip ATOM 0 H ASN A 76 0.979 11.236 3.440 1.00 0.00 H new ATOM 0 HA ASN A 76 1.339 12.418 5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.137 9.632 4.848 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.729 9.805 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.024 9.149 7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.597 9.944 7.492 1.00 0.00 H new ATOM 1227 N GLU A 77 4.039 10.912 4.780 1.00 0.00 N ATOM 1228 CA GLU A 77 5.486 10.813 4.954 1.00 0.00 C ATOM 1229 C GLU A 77 6.138 9.962 3.880 1.00 0.00 C ATOM 1230 O GLU A 77 7.176 9.349 4.109 1.00 0.00 O ATOM 1231 CB GLU A 77 5.834 10.270 6.345 1.00 0.00 C ATOM 1232 CG GLU A 77 6.242 11.354 7.332 1.00 0.00 C ATOM 1233 CD GLU A 77 5.586 11.184 8.693 1.00 0.00 C ATOM 1234 OE1 GLU A 77 5.441 10.031 9.134 1.00 0.00 O ATOM 1235 OE2 GLU A 77 5.228 12.212 9.305 1.00 0.00 O ATOM 0 H GLU A 77 3.679 10.438 3.952 1.00 0.00 H new ATOM 0 HA GLU A 77 5.884 11.823 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.973 9.732 6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.646 9.549 6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.325 11.342 7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.977 12.330 6.924 1.00 0.00 H new ATOM 1242 N ILE A 78 5.526 9.971 2.697 1.00 0.00 N ATOM 1243 CA ILE A 78 6.012 9.226 1.533 1.00 0.00 C ATOM 1244 C ILE A 78 6.893 8.049 1.925 1.00 0.00 C ATOM 1245 O ILE A 78 7.884 7.744 1.254 1.00 0.00 O ATOM 1246 CB ILE A 78 6.773 10.152 0.575 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.235 9.380 -0.580 1.00 0.00 C ATOM 1248 CG2 ILE A 78 7.941 10.823 1.271 1.00 0.00 C ATOM 1249 CD1 ILE A 78 6.941 10.092 -1.875 1.00 0.00 C ATOM 0 H ILE A 78 4.672 10.499 2.516 1.00 0.00 H new ATOM 0 HA ILE A 78 5.133 8.826 1.027 1.00 0.00 H new ATOM 0 HB ILE A 78 6.098 10.939 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.307 9.204 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.751 8.403 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.460 11.472 0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.574 11.416 2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.630 10.063 1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.298 9.490 -2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.866 10.244 -1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.446 11.058 -1.882 1.00 0.00 H new ATOM 1261 N GLU A 79 6.513 7.361 2.988 1.00 0.00 N ATOM 1262 CA GLU A 79 7.253 6.191 3.424 1.00 0.00 C ATOM 1263 C GLU A 79 6.856 4.991 2.585 1.00 0.00 C ATOM 1264 O GLU A 79 7.513 3.950 2.580 1.00 0.00 O ATOM 1265 CB GLU A 79 7.005 5.914 4.908 1.00 0.00 C ATOM 1266 CG GLU A 79 7.180 7.124 5.800 1.00 0.00 C ATOM 1267 CD GLU A 79 7.507 6.766 7.230 1.00 0.00 C ATOM 1268 OE1 GLU A 79 7.962 5.623 7.462 1.00 0.00 O ATOM 1269 OE2 GLU A 79 7.316 7.617 8.123 1.00 0.00 O ATOM 0 H GLU A 79 5.701 7.591 3.562 1.00 0.00 H new ATOM 0 HA GLU A 79 8.318 6.380 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.993 5.529 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.686 5.130 5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.976 7.752 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.266 7.717 5.781 1.00 0.00 H new ATOM 1276 N ILE A 80 5.762 5.163 1.843 1.00 0.00 N ATOM 1277 CA ILE A 80 5.224 4.137 0.958 1.00 0.00 C ATOM 1278 C ILE A 80 6.310 3.559 0.083 1.00 0.00 C ATOM 1279 O ILE A 80 6.528 2.354 0.060 1.00 0.00 O ATOM 1280 CB ILE A 80 4.100 4.724 0.105 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.003 5.327 0.952 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.519 3.686 -0.774 1.00 0.00 C ATOM 1283 CD1 ILE A 80 3.113 6.824 1.086 1.00 0.00 C ATOM 0 H ILE A 80 5.221 6.028 1.841 1.00 0.00 H new ATOM 0 HA ILE A 80 4.819 3.328 1.567 1.00 0.00 H new ATOM 0 HB ILE A 80 4.542 5.516 -0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.036 5.078 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.030 4.877 1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.720 4.122 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.293 3.292 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.115 2.878 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.296 7.195 1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.066 7.079 1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.057 7.283 0.099 1.00 0.00 H new ATOM 1295 N TRP A 81 6.969 4.427 -0.607 1.00 0.00 N ATOM 1296 CA TRP A 81 8.018 3.992 -1.516 1.00 0.00 C ATOM 1297 C TRP A 81 9.027 3.107 -0.789 1.00 0.00 C ATOM 1298 O TRP A 81 9.663 2.239 -1.398 1.00 0.00 O ATOM 1299 CB TRP A 81 8.717 5.187 -2.166 1.00 0.00 C ATOM 1300 CG TRP A 81 7.767 6.154 -2.819 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.062 7.415 -3.251 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.380 5.941 -3.117 1.00 0.00 C ATOM 1303 NE1 TRP A 81 6.942 7.998 -3.792 1.00 0.00 N ATOM 1304 CE2 TRP A 81 5.897 7.115 -3.717 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.487 4.876 -2.926 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 4.572 7.248 -4.137 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.183 5.015 -3.348 1.00 0.00 C ATOM 1308 CH2 TRP A 81 3.733 6.195 -3.942 1.00 0.00 C ATOM 0 H TRP A 81 6.816 5.435 -0.573 1.00 0.00 H new ATOM 0 HA TRP A 81 7.553 3.405 -2.308 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.297 5.715 -1.409 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.423 4.823 -2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.032 7.884 -3.178 1.00 0.00 H new ATOM 0 HE1 TRP A 81 6.896 8.938 -4.186 1.00 0.00 H new ATOM 0 HE3 TRP A 81 5.817 3.961 -2.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.224 8.158 -4.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 3.494 4.193 -3.216 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.701 6.274 -4.252 1.00 0.00 H new ATOM 1319 N ARG A 82 9.151 3.304 0.430 1.00 0.00 N ATOM 1320 CA ARG A 82 10.069 2.496 1.207 1.00 0.00 C ATOM 1321 C ARG A 82 9.477 1.119 1.457 1.00 0.00 C ATOM 1322 O ARG A 82 10.205 0.132 1.643 1.00 0.00 O ATOM 1323 CB ARG A 82 10.399 3.186 2.539 1.00 0.00 C ATOM 1324 CG ARG A 82 11.844 2.996 2.978 1.00 0.00 C ATOM 1325 CD ARG A 82 11.987 1.804 3.907 1.00 0.00 C ATOM 1326 NE ARG A 82 12.444 0.606 3.199 1.00 0.00 N ATOM 1327 CZ ARG A 82 13.708 0.389 2.850 1.00 0.00 C ATOM 1328 NH1 ARG A 82 14.646 1.285 3.142 1.00 0.00 N ATOM 1329 NH2 ARG A 82 14.041 -0.640 2.214 1.00 0.00 N ATOM 0 H ARG A 82 8.644 4.014 0.959 1.00 0.00 H new ATOM 0 HA ARG A 82 10.993 2.381 0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.192 4.252 2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.738 2.798 3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.477 2.855 2.102 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.194 3.897 3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.693 2.047 4.701 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.028 1.599 4.384 1.00 0.00 H new ATOM 0 HE ARG A 82 11.751 -0.104 2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.397 2.142 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.615 1.115 2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.336 -1.330 1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.017 -0.787 1.956 1.00 0.00 H new ATOM 1343 N GLU A 83 8.159 1.043 1.460 1.00 0.00 N ATOM 1344 CA GLU A 83 7.485 -0.153 1.691 1.00 0.00 C ATOM 1345 C GLU A 83 7.450 -1.001 0.441 1.00 0.00 C ATOM 1346 O GLU A 83 7.661 -2.218 0.511 1.00 0.00 O ATOM 1347 CB GLU A 83 6.071 0.024 2.247 1.00 0.00 C ATOM 1348 CG GLU A 83 4.957 -0.006 1.202 1.00 0.00 C ATOM 1349 CD GLU A 83 3.575 0.117 1.813 1.00 0.00 C ATOM 1350 OE1 GLU A 83 3.416 0.965 2.704 1.00 0.00 O ATOM 1351 OE2 GLU A 83 2.668 -0.558 1.408 1.00 0.00 O ATOM 0 H GLU A 83 7.546 1.842 1.296 1.00 0.00 H new ATOM 0 HA GLU A 83 8.056 -0.663 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.884 -0.762 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.023 0.973 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.109 0.807 0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.019 -0.937 0.638 1.00 0.00 H new ATOM 1358 N LEU A 84 7.224 -0.393 -0.637 1.00 0.00 N ATOM 1359 CA LEU A 84 7.211 -1.200 -1.865 1.00 0.00 C ATOM 1360 C LEU A 84 8.620 -1.447 -2.345 1.00 0.00 C ATOM 1361 O LEU A 84 8.912 -2.491 -2.937 1.00 0.00 O ATOM 1362 CB LEU A 84 6.342 -0.651 -2.997 1.00 0.00 C ATOM 1363 CG LEU A 84 6.334 0.764 -3.219 1.00 0.00 C ATOM 1364 CD1 LEU A 84 5.472 1.444 -2.183 1.00 0.00 C ATOM 1365 CD2 LEU A 84 7.747 1.307 -3.196 1.00 0.00 C ATOM 0 H LEU A 84 7.049 0.606 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 84 6.738 -2.141 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.659 -1.131 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.315 -0.965 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 84 5.912 0.969 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.472 2.520 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.453 1.065 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.869 1.239 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.726 2.383 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.200 1.102 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.334 0.827 -3.979 1.00 0.00 H new ATOM 1377 N THR A 85 9.518 -0.522 -2.067 1.00 0.00 N ATOM 1378 CA THR A 85 10.911 -0.703 -2.466 1.00 0.00 C ATOM 1379 C THR A 85 11.464 -1.916 -1.721 1.00 0.00 C ATOM 1380 O THR A 85 12.305 -2.647 -2.240 1.00 0.00 O ATOM 1381 CB THR A 85 11.751 0.461 -2.173 1.00 0.00 C ATOM 1382 OG1 THR A 85 13.000 0.386 -2.840 1.00 0.00 O ATOM 1383 CG2 THR A 85 12.037 0.678 -0.703 1.00 0.00 C ATOM 0 H THR A 85 9.319 0.349 -1.576 1.00 0.00 H new ATOM 0 HA THR A 85 10.932 -0.843 -3.547 1.00 0.00 H new ATOM 0 HB THR A 85 11.158 1.302 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.534 1.179 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.665 1.561 -0.581 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.099 0.823 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.554 -0.193 -0.300 1.00 0.00 H new ATOM 1391 N ALA A 86 10.949 -2.134 -0.504 1.00 0.00 N ATOM 1392 CA ALA A 86 11.363 -3.271 0.248 1.00 0.00 C ATOM 1393 C ALA A 86 10.668 -4.546 -0.196 1.00 0.00 C ATOM 1394 O ALA A 86 11.293 -5.595 -0.314 1.00 0.00 O ATOM 1395 CB ALA A 86 11.045 -3.031 1.687 1.00 0.00 C ATOM 0 H ALA A 86 10.260 -1.537 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 86 12.433 -3.404 0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.356 -3.893 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.575 -2.144 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.972 -2.881 1.802 1.00 0.00 H new ATOM 1401 N LYS A 87 9.372 -4.433 -0.474 1.00 0.00 N ATOM 1402 CA LYS A 87 8.589 -5.559 -0.973 1.00 0.00 C ATOM 1403 C LYS A 87 7.722 -5.124 -2.155 1.00 0.00 C ATOM 1404 O LYS A 87 7.274 -3.992 -2.217 1.00 0.00 O ATOM 1405 CB LYS A 87 7.719 -6.140 0.083 1.00 0.00 C ATOM 1406 CG LYS A 87 7.410 -7.616 -0.069 1.00 0.00 C ATOM 1407 CD LYS A 87 7.886 -8.436 1.070 1.00 0.00 C ATOM 1408 CE LYS A 87 8.184 -9.870 0.674 1.00 0.00 C ATOM 1409 NZ LYS A 87 9.633 -10.096 0.442 1.00 0.00 N ATOM 0 H LYS A 87 8.841 -3.570 -0.362 1.00 0.00 H new ATOM 0 HA LYS A 87 9.297 -6.323 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.197 -5.984 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.779 -5.589 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.333 -7.745 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.867 -7.983 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.786 -7.984 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.132 -8.430 1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.834 -10.542 1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.629 -10.118 -0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.791 -11.088 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.963 -9.474 -0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.161 -9.884 1.313 1.00 0.00 H new ATOM 1423 N TYR A 88 7.498 -6.041 -3.088 1.00 0.00 N ATOM 1424 CA TYR A 88 6.688 -5.754 -4.287 1.00 0.00 C ATOM 1425 C TYR A 88 7.517 -5.001 -5.327 1.00 0.00 C ATOM 1426 O TYR A 88 6.985 -4.568 -6.353 1.00 0.00 O ATOM 1427 CB TYR A 88 5.432 -4.949 -3.936 1.00 0.00 C ATOM 1428 CG TYR A 88 4.872 -5.239 -2.550 1.00 0.00 C ATOM 1429 CD1 TYR A 88 4.644 -6.549 -2.136 1.00 0.00 C ATOM 1430 CD2 TYR A 88 4.592 -4.208 -1.666 1.00 0.00 C ATOM 1431 CE1 TYR A 88 4.146 -6.814 -0.874 1.00 0.00 C ATOM 1432 CE2 TYR A 88 4.096 -4.469 -0.409 1.00 0.00 C ATOM 1433 CZ TYR A 88 3.870 -5.768 -0.060 1.00 0.00 C ATOM 1434 OH TYR A 88 3.378 -6.030 1.155 1.00 0.00 O ATOM 0 H TYR A 88 7.862 -6.993 -3.046 1.00 0.00 H new ATOM 0 HA TYR A 88 6.372 -6.709 -4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.664 -3.886 -4.007 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.661 -5.158 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.859 -7.367 -2.808 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.766 -3.186 -1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.981 -7.830 -0.546 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.891 -3.666 0.283 1.00 0.00 H new ATOM 0 HH TYR A 88 3.985 -5.675 1.837 1.00 0.00 H new ATOM 1444 N ASP A 89 8.810 -4.847 -5.061 1.00 0.00 N ATOM 1445 CA ASP A 89 9.703 -4.164 -5.982 1.00 0.00 C ATOM 1446 C ASP A 89 9.663 -4.801 -7.364 1.00 0.00 C ATOM 1447 O ASP A 89 9.412 -4.129 -8.368 1.00 0.00 O ATOM 1448 CB ASP A 89 11.135 -4.169 -5.436 1.00 0.00 C ATOM 1449 CG ASP A 89 11.876 -2.884 -5.749 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.227 -1.816 -5.778 1.00 0.00 O ATOM 1451 OD2 ASP A 89 13.106 -2.942 -5.964 1.00 0.00 O ATOM 0 H ASP A 89 9.261 -5.188 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 89 9.363 -3.133 -6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.109 -4.317 -4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.680 -5.012 -5.860 1.00 0.00 H new ATOM 1456 N PRO A 90 9.927 -6.126 -7.448 1.00 0.00 N ATOM 1457 CA PRO A 90 9.919 -6.853 -8.720 1.00 0.00 C ATOM 1458 C PRO A 90 8.753 -6.463 -9.616 1.00 0.00 C ATOM 1459 O PRO A 90 8.899 -6.379 -10.832 1.00 0.00 O ATOM 1460 CB PRO A 90 9.803 -8.330 -8.299 1.00 0.00 C ATOM 1461 CG PRO A 90 9.689 -8.338 -6.798 1.00 0.00 C ATOM 1462 CD PRO A 90 10.240 -7.022 -6.330 1.00 0.00 C ATOM 0 HA PRO A 90 10.810 -6.633 -9.309 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.931 -8.797 -8.757 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.676 -8.896 -8.625 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.651 -8.458 -6.487 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.249 -9.169 -6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.770 -6.693 -5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 90 11.312 -7.076 -6.142 1.00 0.00 H new ATOM 1470 N THR A 91 7.595 -6.205 -9.018 1.00 0.00 N ATOM 1471 CA THR A 91 6.410 -5.811 -9.777 1.00 0.00 C ATOM 1472 C THR A 91 6.698 -4.550 -10.586 1.00 0.00 C ATOM 1473 O THR A 91 6.629 -4.559 -11.818 1.00 0.00 O ATOM 1474 CB THR A 91 5.224 -5.582 -8.845 1.00 0.00 C ATOM 1475 OG1 THR A 91 5.335 -4.335 -8.174 1.00 0.00 O ATOM 1476 CG2 THR A 91 5.073 -6.650 -7.784 1.00 0.00 C ATOM 0 H THR A 91 7.450 -6.261 -8.010 1.00 0.00 H new ATOM 0 HA THR A 91 6.156 -6.619 -10.463 1.00 0.00 H new ATOM 0 HB THR A 91 4.350 -5.607 -9.496 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.688 -4.479 -7.271 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.210 -6.422 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.929 -7.619 -8.261 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.971 -6.679 -7.167 1.00 0.00 H new ATOM 1484 N GLY A 92 7.038 -3.471 -9.889 1.00 0.00 N ATOM 1485 CA GLY A 92 7.348 -2.217 -10.544 1.00 0.00 C ATOM 1486 C GLY A 92 6.306 -1.792 -11.566 1.00 0.00 C ATOM 1487 O GLY A 92 6.602 -1.042 -12.491 1.00 0.00 O ATOM 0 H GLY A 92 7.104 -3.445 -8.871 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.445 -1.436 -9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.316 -2.304 -11.038 1.00 0.00 H new ATOM 1491 N ASN A 93 5.079 -2.276 -11.398 1.00 0.00 N ATOM 1492 CA ASN A 93 3.997 -1.932 -12.309 1.00 0.00 C ATOM 1493 C ASN A 93 2.977 -1.036 -11.621 1.00 0.00 C ATOM 1494 O ASN A 93 2.327 -0.210 -12.262 1.00 0.00 O ATOM 1495 CB ASN A 93 3.316 -3.204 -12.828 1.00 0.00 C ATOM 1496 CG ASN A 93 3.869 -3.645 -14.173 1.00 0.00 C ATOM 1497 OD1 ASN A 93 3.200 -3.255 -15.244 1.00 0.00 O flip ATOM 1498 ND2 ASN A 93 4.886 -4.328 -14.236 1.00 0.00 N flip ATOM 0 H ASN A 93 4.812 -2.906 -10.641 1.00 0.00 H new ATOM 0 HA ASN A 93 4.420 -1.387 -13.153 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.448 -4.006 -12.102 1.00 0.00 H new ATOM 0 HB3 ASN A 93 2.244 -3.029 -12.918 1.00 0.00 H new ATOM 0 HD21 ASN A 93 5.368 -4.605 -13.381 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.249 -4.619 -15.144 1.00 0.00 H new ATOM 1505 N TRP A 94 2.842 -1.204 -10.309 1.00 0.00 N ATOM 1506 CA TRP A 94 1.900 -0.415 -9.530 1.00 0.00 C ATOM 1507 C TRP A 94 2.597 0.729 -8.956 1.00 0.00 C ATOM 1508 O TRP A 94 2.141 1.866 -9.125 1.00 0.00 O ATOM 1509 CB TRP A 94 1.311 -1.254 -8.400 1.00 0.00 C ATOM 1510 CG TRP A 94 0.687 -2.523 -8.886 1.00 0.00 C ATOM 1511 CD1 TRP A 94 1.298 -3.725 -9.086 1.00 0.00 C ATOM 1512 CD2 TRP A 94 -0.614 -2.709 -9.245 1.00 0.00 C ATOM 1513 NE1 TRP A 94 0.393 -4.649 -9.539 1.00 0.00 N ATOM 1514 CE2 TRP A 94 -0.765 -4.047 -9.646 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -1.733 -1.869 -9.257 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 -1.982 -4.566 -10.065 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -2.945 -2.389 -9.674 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -3.063 -3.725 -10.065 1.00 0.00 C ATOM 0 H TRP A 94 3.375 -1.882 -9.764 1.00 0.00 H new ATOM 0 HA TRP A 94 1.094 -0.080 -10.183 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.096 -1.492 -7.683 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.562 -0.666 -7.869 1.00 0.00 H new ATOM 0 HD1 TRP A 94 2.346 -3.921 -8.912 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.586 -5.627 -9.754 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.652 -0.837 -8.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.073 -5.595 -10.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -3.816 -1.751 -9.698 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.027 -4.102 -10.374 1.00 0.00 H new ATOM 1529 N ARG A 95 3.719 0.501 -8.276 1.00 0.00 N ATOM 1530 CA ARG A 95 4.493 1.579 -7.668 1.00 0.00 C ATOM 1531 C ARG A 95 4.802 2.677 -8.676 1.00 0.00 C ATOM 1532 O ARG A 95 5.029 3.822 -8.295 1.00 0.00 O ATOM 1533 CB ARG A 95 5.799 1.020 -7.083 1.00 0.00 C ATOM 1534 CG ARG A 95 6.671 2.082 -6.432 1.00 0.00 C ATOM 1535 CD ARG A 95 7.700 2.631 -7.401 1.00 0.00 C ATOM 1536 NE ARG A 95 8.687 3.474 -6.745 1.00 0.00 N ATOM 1537 CZ ARG A 95 9.869 3.792 -7.281 1.00 0.00 C ATOM 1538 NH1 ARG A 95 10.206 3.336 -8.476 1.00 0.00 N ATOM 1539 NH2 ARG A 95 10.711 4.559 -6.605 1.00 0.00 N ATOM 0 H ARG A 95 4.114 -0.428 -8.132 1.00 0.00 H new ATOM 0 HA ARG A 95 3.894 2.015 -6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.560 0.254 -6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.365 0.532 -7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.044 2.895 -6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.177 1.657 -5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.206 1.803 -7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.194 3.206 -8.177 1.00 0.00 H new ATOM 0 HE ARG A 95 8.464 3.844 -5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.562 2.738 -8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.110 3.582 -8.880 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.456 4.904 -5.680 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.614 4.805 -7.010 1.00 0.00 H new ATOM 1553 N LYS A 96 4.809 2.327 -9.955 1.00 0.00 N ATOM 1554 CA LYS A 96 5.096 3.307 -11.004 1.00 0.00 C ATOM 1555 C LYS A 96 3.983 4.331 -11.119 1.00 0.00 C ATOM 1556 O LYS A 96 4.236 5.516 -11.324 1.00 0.00 O ATOM 1557 CB LYS A 96 5.309 2.612 -12.350 1.00 0.00 C ATOM 1558 CG LYS A 96 6.397 3.241 -13.205 1.00 0.00 C ATOM 1559 CD LYS A 96 5.814 4.214 -14.214 1.00 0.00 C ATOM 1560 CE LYS A 96 6.812 4.567 -15.286 1.00 0.00 C ATOM 1561 NZ LYS A 96 7.172 3.398 -16.131 1.00 0.00 N ATOM 0 H LYS A 96 4.622 1.383 -10.293 1.00 0.00 H new ATOM 0 HA LYS A 96 6.013 3.827 -10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.560 1.566 -12.172 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.372 2.624 -12.906 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.110 3.761 -12.565 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.949 2.460 -13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.927 3.776 -14.672 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.493 5.121 -13.702 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.400 5.355 -15.917 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.713 4.968 -14.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.557 3.731 -17.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.887 2.823 -15.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.324 2.822 -16.306 1.00 0.00 H new ATOM 1575 N LYS A 97 2.742 3.878 -10.975 1.00 0.00 N ATOM 1576 CA LYS A 97 1.608 4.769 -11.040 1.00 0.00 C ATOM 1577 C LYS A 97 1.535 5.616 -9.775 1.00 0.00 C ATOM 1578 O LYS A 97 1.267 6.813 -9.823 1.00 0.00 O ATOM 1579 CB LYS A 97 0.318 3.978 -11.226 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.866 4.733 -10.822 1.00 0.00 C ATOM 1581 CD LYS A 97 -2.019 4.443 -11.771 1.00 0.00 C ATOM 1582 CE LYS A 97 -2.223 5.570 -12.768 1.00 0.00 C ATOM 1583 NZ LYS A 97 -3.663 5.786 -13.073 1.00 0.00 N ATOM 0 H LYS A 97 2.505 2.899 -10.813 1.00 0.00 H new ATOM 0 HA LYS A 97 1.732 5.430 -11.898 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.221 3.689 -12.273 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.373 3.057 -10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.147 4.466 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.644 5.800 -10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.824 3.514 -12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.934 4.295 -11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.794 6.489 -12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.687 5.341 -13.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.760 6.563 -13.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.066 4.917 -13.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.170 6.029 -12.198 1.00 0.00 H new ATOM 1597 N TYR A 98 1.808 4.970 -8.650 1.00 0.00 N ATOM 1598 CA TYR A 98 1.805 5.631 -7.363 1.00 0.00 C ATOM 1599 C TYR A 98 2.996 6.559 -7.221 1.00 0.00 C ATOM 1600 O TYR A 98 2.923 7.586 -6.546 1.00 0.00 O ATOM 1601 CB TYR A 98 1.820 4.586 -6.245 1.00 0.00 C ATOM 1602 CG TYR A 98 0.538 3.807 -6.084 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.558 4.196 -6.710 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.504 2.676 -5.282 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.725 3.477 -6.534 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.575 1.943 -5.110 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.730 2.349 -5.736 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.891 1.638 -5.564 1.00 0.00 O ATOM 0 H TYR A 98 2.036 3.977 -8.609 1.00 0.00 H new ATOM 0 HA TYR A 98 0.898 6.231 -7.289 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.633 3.885 -6.435 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.044 5.087 -5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.542 5.065 -7.351 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.410 2.382 -4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.634 3.797 -7.021 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.554 1.053 -4.498 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.610 2.055 -6.084 1.00 0.00 H new ATOM 1618 N GLU A 99 4.115 6.203 -7.856 1.00 0.00 N ATOM 1619 CA GLU A 99 5.316 7.023 -7.789 1.00 0.00 C ATOM 1620 C GLU A 99 5.270 8.148 -8.817 1.00 0.00 C ATOM 1621 O GLU A 99 5.850 9.209 -8.614 1.00 0.00 O ATOM 1622 CB GLU A 99 6.569 6.170 -7.990 1.00 0.00 C ATOM 1623 CG GLU A 99 6.821 5.762 -9.435 1.00 0.00 C ATOM 1624 CD GLU A 99 7.819 6.661 -10.129 1.00 0.00 C ATOM 1625 OE1 GLU A 99 8.919 6.876 -9.570 1.00 0.00 O ATOM 1626 OE2 GLU A 99 7.514 7.155 -11.235 1.00 0.00 O ATOM 0 H GLU A 99 4.210 5.357 -8.418 1.00 0.00 H new ATOM 0 HA GLU A 99 5.358 7.470 -6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.434 6.723 -7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.484 5.271 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.185 4.735 -9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.879 5.780 -9.983 1.00 0.00 H new ATOM 1633 N ASP A 100 4.553 7.912 -9.915 1.00 0.00 N ATOM 1634 CA ASP A 100 4.424 8.915 -10.966 1.00 0.00 C ATOM 1635 C ASP A 100 3.773 10.177 -10.404 1.00 0.00 C ATOM 1636 O ASP A 100 4.251 11.288 -10.633 1.00 0.00 O ATOM 1637 CB ASP A 100 3.613 8.362 -12.129 1.00 0.00 C ATOM 1638 CG ASP A 100 3.446 9.375 -13.250 1.00 0.00 C ATOM 1639 OD1 ASP A 100 4.463 9.761 -13.847 1.00 0.00 O ATOM 1640 OD2 ASP A 100 2.293 9.762 -13.534 1.00 0.00 O ATOM 0 H ASP A 100 4.056 7.040 -10.098 1.00 0.00 H new ATOM 0 HA ASP A 100 5.417 9.171 -11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.103 7.470 -12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.630 8.055 -11.770 1.00 0.00 H new ATOM 1645 N ARG A 101 2.678 10.000 -9.680 1.00 0.00 N ATOM 1646 CA ARG A 101 1.969 11.131 -9.090 1.00 0.00 C ATOM 1647 C ARG A 101 2.896 11.957 -8.219 1.00 0.00 C ATOM 1648 O ARG A 101 2.897 13.187 -8.286 1.00 0.00 O ATOM 1649 CB ARG A 101 0.792 10.637 -8.267 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.394 11.431 -8.514 1.00 0.00 C ATOM 1651 CD ARG A 101 -1.209 11.600 -7.247 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.820 12.933 -7.166 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.803 13.245 -6.323 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -3.287 12.334 -5.488 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -3.299 14.473 -6.309 1.00 0.00 N ATOM 0 H ARG A 101 2.261 9.090 -9.486 1.00 0.00 H new ATOM 0 HA ARG A 101 1.603 11.763 -9.899 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.590 9.593 -8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.044 10.677 -7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.107 12.409 -8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.003 10.953 -9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.989 10.840 -7.212 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.569 11.440 -6.379 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.472 13.661 -7.790 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.906 11.388 -5.489 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.040 12.580 -4.845 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.928 15.180 -6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.052 14.712 -5.663 1.00 0.00 H new ATOM 1669 N ALA A 102 3.689 11.267 -7.407 1.00 0.00 N ATOM 1670 CA ALA A 102 4.628 11.934 -6.515 1.00 0.00 C ATOM 1671 C ALA A 102 5.578 12.842 -7.292 1.00 0.00 C ATOM 1672 O ALA A 102 6.224 13.728 -6.717 1.00 0.00 O ATOM 1673 CB ALA A 102 5.417 10.909 -5.712 1.00 0.00 C ATOM 0 H ALA A 102 3.700 10.249 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 102 4.054 12.555 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.114 11.423 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.731 10.306 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.972 10.263 -6.392 1.00 0.00 H new ATOM 1679 N LYS A 103 5.659 12.638 -8.606 1.00 0.00 N ATOM 1680 CA LYS A 103 6.525 13.454 -9.441 1.00 0.00 C ATOM 1681 C LYS A 103 5.781 14.712 -9.892 1.00 0.00 C ATOM 1682 O LYS A 103 6.380 15.776 -10.044 1.00 0.00 O ATOM 1683 CB LYS A 103 7.030 12.653 -10.656 1.00 0.00 C ATOM 1684 CG LYS A 103 6.166 12.772 -11.900 1.00 0.00 C ATOM 1685 CD LYS A 103 6.693 13.847 -12.839 1.00 0.00 C ATOM 1686 CE LYS A 103 6.550 13.432 -14.297 1.00 0.00 C ATOM 1687 NZ LYS A 103 5.337 14.027 -14.928 1.00 0.00 N ATOM 0 H LYS A 103 5.138 11.919 -9.108 1.00 0.00 H new ATOM 0 HA LYS A 103 7.394 13.752 -8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.039 12.985 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.099 11.601 -10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.139 11.814 -12.419 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.141 13.008 -11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 103 6.151 14.777 -12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.742 14.044 -12.617 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.436 13.741 -14.851 1.00 0.00 H new ATOM 0 HE3 LYS A 103 6.497 12.345 -14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.276 13.720 -15.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.489 13.712 -14.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.399 15.064 -14.890 1.00 0.00 H new ATOM 1701 N ALA A 104 4.473 14.572 -10.078 1.00 0.00 N ATOM 1702 CA ALA A 104 3.651 15.705 -10.488 1.00 0.00 C ATOM 1703 C ALA A 104 3.418 16.638 -9.313 1.00 0.00 C ATOM 1704 O ALA A 104 3.276 17.853 -9.485 1.00 0.00 O ATOM 1705 CB ALA A 104 2.324 15.206 -11.041 1.00 0.00 C ATOM 0 H ALA A 104 3.964 13.697 -9.953 1.00 0.00 H new ATOM 0 HA ALA A 104 4.173 16.258 -11.269 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.714 16.056 -11.346 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.507 14.564 -11.902 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.799 14.640 -10.272 1.00 0.00 H new ATOM 1711 N ALA A 105 3.380 16.071 -8.106 1.00 0.00 N ATOM 1712 CA ALA A 105 3.169 16.850 -6.899 1.00 0.00 C ATOM 1713 C ALA A 105 4.498 17.314 -6.305 1.00 0.00 C ATOM 1714 O ALA A 105 4.638 18.471 -5.891 1.00 0.00 O ATOM 1715 CB ALA A 105 2.387 16.040 -5.879 1.00 0.00 C ATOM 0 H ALA A 105 3.494 15.070 -7.945 1.00 0.00 H new ATOM 0 HA ALA A 105 2.591 17.735 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.236 16.636 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.419 15.764 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.944 15.137 -5.627 1.00 0.00 H new ATOM 1721 N GLY A 106 5.472 16.409 -6.253 1.00 0.00 N ATOM 1722 CA GLY A 106 6.768 16.742 -5.699 1.00 0.00 C ATOM 1723 C GLY A 106 7.137 15.833 -4.544 1.00 0.00 C ATOM 1724 O GLY A 106 8.309 15.486 -4.361 1.00 0.00 O ATOM 0 H GLY A 106 5.384 15.449 -6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.527 16.666 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.763 17.778 -5.359 1.00 0.00 H new ATOM 1728 N ILE A 107 6.138 15.446 -3.770 1.00 0.00 N ATOM 1729 CA ILE A 107 6.343 14.569 -2.630 1.00 0.00 C ATOM 1730 C ILE A 107 6.990 13.256 -3.060 1.00 0.00 C ATOM 1731 O ILE A 107 6.329 12.389 -3.627 1.00 0.00 O ATOM 1732 CB ILE A 107 5.003 14.275 -1.902 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.144 13.110 -0.932 1.00 0.00 C ATOM 1734 CG2 ILE A 107 3.902 13.986 -2.914 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.168 13.358 0.101 1.00 0.00 C ATOM 0 H ILE A 107 5.168 15.728 -3.912 1.00 0.00 H new ATOM 0 HA ILE A 107 7.012 15.084 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 107 4.734 15.161 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.184 12.924 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.403 12.208 -1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.969 13.782 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.770 14.850 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.178 13.119 -3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.229 12.497 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.135 13.517 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.897 14.243 0.676 1.00 0.00 H new ATOM 1747 N VAL A 108 8.279 13.120 -2.776 1.00 0.00 N ATOM 1748 CA VAL A 108 9.010 11.916 -3.129 1.00 0.00 C ATOM 1749 C VAL A 108 9.725 11.342 -1.909 1.00 0.00 C ATOM 1750 O VAL A 108 9.912 12.032 -0.907 1.00 0.00 O ATOM 1751 CB VAL A 108 10.035 12.168 -4.251 1.00 0.00 C ATOM 1752 CG1 VAL A 108 10.471 10.842 -4.871 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.465 13.101 -5.312 1.00 0.00 C ATOM 0 H VAL A 108 8.837 13.830 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 108 8.276 11.198 -3.495 1.00 0.00 H new ATOM 0 HB VAL A 108 10.909 12.654 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.196 11.031 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.927 10.215 -4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.602 10.332 -5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.209 13.262 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.572 12.653 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.205 14.056 -4.855 1.00 0.00 H new ATOM 1763 N ILE A 109 10.119 10.071 -1.998 1.00 0.00 N ATOM 1764 CA ILE A 109 10.803 9.408 -0.893 1.00 0.00 C ATOM 1765 C ILE A 109 11.978 10.246 -0.387 1.00 0.00 C ATOM 1766 O ILE A 109 12.791 10.735 -1.169 1.00 0.00 O ATOM 1767 CB ILE A 109 11.301 8.006 -1.314 1.00 0.00 C ATOM 1768 CG1 ILE A 109 11.593 7.152 -0.077 1.00 0.00 C ATOM 1769 CG2 ILE A 109 12.534 8.108 -2.205 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.345 6.660 0.536 1.00 0.00 C ATOM 0 H ILE A 109 9.976 9.485 -2.820 1.00 0.00 H new ATOM 0 HA ILE A 109 10.082 9.297 -0.083 1.00 0.00 H new ATOM 0 HB ILE A 109 10.513 7.522 -1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.223 6.307 -0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.152 7.740 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 109 12.863 7.108 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.288 8.675 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.333 8.614 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.583 6.057 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 109 9.728 7.507 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.800 6.052 -0.186 1.00 0.00 H new ATOM 1782 N PRO A 110 12.082 10.429 0.869 1.00 0.00 N ATOM 1783 CA PRO A 110 13.162 11.218 1.471 1.00 0.00 C ATOM 1784 C PRO A 110 14.496 10.496 1.418 1.00 0.00 C ATOM 1785 O PRO A 110 15.096 10.190 2.451 1.00 0.00 O ATOM 1786 CB PRO A 110 12.689 11.404 2.916 1.00 0.00 C ATOM 1787 CG PRO A 110 11.783 10.252 3.185 1.00 0.00 C ATOM 1788 CD PRO A 110 11.158 9.882 1.874 1.00 0.00 C ATOM 0 HA PRO A 110 13.337 12.157 0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.531 11.412 3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.166 12.353 3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.339 9.411 3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.020 10.522 3.915 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.053 8.802 1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.161 10.310 1.773 1.00 0.00 H new ATOM 1796 N GLU A 111 14.957 10.226 0.241 1.00 0.00 N ATOM 1797 CA GLU A 111 16.223 9.532 0.062 1.00 0.00 C ATOM 1798 C GLU A 111 17.403 10.484 0.243 1.00 0.00 C ATOM 1799 O GLU A 111 18.072 10.884 -0.664 1.00 0.00 O ATOM 1800 CB GLU A 111 16.293 8.912 -1.318 1.00 0.00 C ATOM 1801 CG GLU A 111 15.536 9.702 -2.376 1.00 0.00 C ATOM 1802 CD GLU A 111 15.855 9.240 -3.786 1.00 0.00 C ATOM 1803 OE1 GLU A 111 15.566 8.072 -4.105 1.00 0.00 O ATOM 1804 OE2 GLU A 111 16.401 10.046 -4.565 1.00 0.00 O ATOM 0 H GLU A 111 14.483 10.471 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 111 16.281 8.750 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 111 17.338 8.827 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.891 7.900 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.465 9.606 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.781 10.760 -2.280 1.00 0.00 H new ATOM 1811 N GLU A 112 17.638 10.848 1.468 1.00 0.00 N ATOM 1812 CA GLU A 112 18.727 11.750 1.807 1.00 0.00 C ATOM 1813 C GLU A 112 18.687 13.018 0.961 1.00 0.00 C ATOM 1814 O GLU A 112 18.012 13.990 1.356 1.00 0.00 O ATOM 1815 CB GLU A 112 20.069 11.043 1.651 1.00 0.00 C ATOM 1816 CG GLU A 112 21.275 11.961 1.670 1.00 0.00 C ATOM 1817 CD GLU A 112 22.457 11.363 2.400 1.00 0.00 C ATOM 1818 OE1 GLU A 112 23.222 10.613 1.769 1.00 0.00 O ATOM 1819 OE2 GLU A 112 22.622 11.642 3.604 1.00 0.00 O ATOM 1820 OXT GLU A 112 19.335 13.021 -0.034 1.00 0.00 O ATOM 0 H GLU A 112 17.088 10.535 2.268 1.00 0.00 H new ATOM 0 HA GLU A 112 18.604 12.045 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 112 20.174 10.311 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 112 20.066 10.489 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 112 21.566 12.192 0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 112 21.001 12.904 2.144 1.00 0.00 H new