USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 815 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 94 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 129 HIS : no HD1:sc= 0 X(o=0,f=0.16) USER MOD Set 2.1: A 86 ASN : amide:sc= -0.0101 K(o=0.19,f=-4.4!) USER MOD Set 2.2: A 88 LYS NZ :NH3+ -164:sc= 0.201 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.1) USER MOD Single : A 15 GLN : amide:sc= 0.538 K(o=0.54,f=-0.49) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 48 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.76) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc=-0.00141 X(o=-0.0014,f=-0.0014) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot -118:sc= 0.63 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot -30:sc= 1.01 USER MOD Single : A 85 LYS NZ :NH3+ 151:sc= 1.38 (180deg=0.908) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc=-0.00151 X(o=-0.0015,f=-0.017) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= 1.05 (180deg=0.955) USER MOD Single : A 100 SER OG : rot 88:sc= 0.519 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.957 F(o=-1.7!,f=-0.96) USER MOD Single : A 107 LYS NZ :NH3+ 163:sc=-0.00734 (180deg=-0.097) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.4) USER MOD Single : A 110 CYS SG : rot 25:sc= 0.0085 USER MOD Single : A 114 MET CE :methyl 127:sc= -0.195 (180deg=-0.466) USER MOD Single : A 120 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.1) USER MOD Single : A 121 HIS : no HE2:sc= -0.487 K(o=-0.49,f=-1.7) USER MOD Single : A 123 GLN :FLIP amide:sc= -0.0155 F(o=-0.53,f=-0.015) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N TYR A 11 3.891 17.534 -4.335 1.00 0.00 N ATOM 110 CA TYR A 11 3.456 16.196 -3.980 1.00 0.00 C ATOM 111 C TYR A 11 3.069 16.081 -2.507 1.00 0.00 C ATOM 112 O TYR A 11 2.143 15.342 -2.184 1.00 0.00 O ATOM 113 CB TYR A 11 4.584 15.229 -4.336 1.00 0.00 C ATOM 114 CG TYR A 11 4.938 15.280 -5.809 1.00 0.00 C ATOM 115 CD1 TYR A 11 4.024 14.783 -6.757 1.00 0.00 C ATOM 116 CD2 TYR A 11 6.149 15.861 -6.237 1.00 0.00 C ATOM 117 CE1 TYR A 11 4.350 14.798 -8.123 1.00 0.00 C ATOM 118 CE2 TYR A 11 6.463 15.906 -7.607 1.00 0.00 C ATOM 119 CZ TYR A 11 5.568 15.366 -8.556 1.00 0.00 C ATOM 120 OH TYR A 11 5.877 15.435 -9.879 1.00 0.00 O ATOM 0 HA TYR A 11 2.554 15.950 -4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.467 15.469 -3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.288 14.214 -4.070 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.071 14.390 -6.434 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.836 16.272 -5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.667 14.374 -8.844 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.390 16.354 -7.934 1.00 0.00 H new ATOM 0 HH TYR A 11 6.754 15.858 -9.988 1.00 0.00 H new ATOM 130 N SER A 12 3.742 16.796 -1.599 1.00 0.00 N ATOM 131 CA SER A 12 3.520 16.587 -0.172 1.00 0.00 C ATOM 132 C SER A 12 2.112 16.987 0.283 1.00 0.00 C ATOM 133 O SER A 12 1.603 16.395 1.232 1.00 0.00 O ATOM 134 CB SER A 12 4.588 17.314 0.641 1.00 0.00 C ATOM 135 OG SER A 12 4.662 18.693 0.310 1.00 0.00 O ATOM 0 H SER A 12 4.433 17.512 -1.825 1.00 0.00 H new ATOM 0 HA SER A 12 3.601 15.515 0.009 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.370 17.207 1.704 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.557 16.847 0.466 1.00 0.00 H new ATOM 0 HG SER A 12 5.356 19.123 0.853 1.00 0.00 H new ATOM 141 N GLN A 13 1.478 17.963 -0.385 1.00 0.00 N ATOM 142 CA GLN A 13 0.087 18.327 -0.116 1.00 0.00 C ATOM 143 C GLN A 13 -0.813 17.152 -0.467 1.00 0.00 C ATOM 144 O GLN A 13 -1.530 16.677 0.400 1.00 0.00 O ATOM 145 CB GLN A 13 -0.339 19.577 -0.897 1.00 0.00 C ATOM 146 CG GLN A 13 0.238 20.874 -0.322 1.00 0.00 C ATOM 147 CD GLN A 13 -0.365 21.270 1.021 1.00 0.00 C ATOM 148 OE1 GLN A 13 -1.389 21.937 1.083 1.00 0.00 O ATOM 149 NE2 GLN A 13 0.241 20.910 2.134 1.00 0.00 N ATOM 0 H GLN A 13 1.916 18.516 -1.122 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.007 18.564 0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.022 19.475 -1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.427 19.642 -0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.316 20.762 -0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.075 21.682 -1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.095 20.354 2.093 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.144 21.187 3.037 1.00 0.00 H new ATOM 158 N ARG A 14 -0.727 16.653 -1.703 1.00 0.00 N ATOM 159 CA ARG A 14 -1.502 15.512 -2.188 1.00 0.00 C ATOM 160 C ARG A 14 -1.333 14.309 -1.274 1.00 0.00 C ATOM 161 O ARG A 14 -2.311 13.662 -0.920 1.00 0.00 O ATOM 162 CB ARG A 14 -1.038 15.165 -3.609 1.00 0.00 C ATOM 163 CG ARG A 14 -1.559 16.175 -4.634 1.00 0.00 C ATOM 164 CD ARG A 14 -0.680 16.208 -5.888 1.00 0.00 C ATOM 165 NE ARG A 14 -1.284 17.094 -6.895 1.00 0.00 N ATOM 166 CZ ARG A 14 -1.177 18.427 -6.922 1.00 0.00 C ATOM 167 NH1 ARG A 14 -0.375 19.080 -6.085 1.00 0.00 N ATOM 168 NH2 ARG A 14 -1.896 19.110 -7.800 1.00 0.00 N ATOM 0 H ARG A 14 -0.102 17.041 -2.409 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.559 15.778 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.051 15.142 -3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.386 14.166 -3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.581 15.918 -4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.591 17.168 -4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.320 16.560 -5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.571 15.202 -6.294 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.831 16.655 -7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.178 18.563 -5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.313 20.097 -6.128 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.519 18.619 -8.441 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.827 20.127 -7.835 1.00 0.00 H new ATOM 182 N GLN A 15 -0.094 14.019 -0.889 1.00 0.00 N ATOM 183 CA GLN A 15 0.237 12.922 0.000 1.00 0.00 C ATOM 184 C GLN A 15 -0.474 13.105 1.344 1.00 0.00 C ATOM 185 O GLN A 15 -1.149 12.186 1.796 1.00 0.00 O ATOM 186 CB GLN A 15 1.767 12.835 0.126 1.00 0.00 C ATOM 187 CG GLN A 15 2.372 12.239 -1.163 1.00 0.00 C ATOM 188 CD GLN A 15 3.897 12.327 -1.264 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.599 12.679 -0.319 1.00 0.00 O ATOM 190 NE2 GLN A 15 4.462 12.020 -2.423 1.00 0.00 N ATOM 0 H GLN A 15 0.720 14.553 -1.195 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.114 11.972 -0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.182 13.827 0.307 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.035 12.216 0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.078 11.192 -1.233 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.936 12.751 -2.021 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.884 11.727 -3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.475 12.076 -2.527 1.00 0.00 H new ATOM 199 N ASP A 16 -0.352 14.276 1.975 1.00 0.00 N ATOM 200 CA ASP A 16 -1.001 14.600 3.251 1.00 0.00 C ATOM 201 C ASP A 16 -2.532 14.616 3.140 1.00 0.00 C ATOM 202 O ASP A 16 -3.238 14.283 4.088 1.00 0.00 O ATOM 203 CB ASP A 16 -0.465 15.951 3.737 1.00 0.00 C ATOM 204 CG ASP A 16 -1.029 16.331 5.102 1.00 0.00 C ATOM 205 OD1 ASP A 16 -0.833 15.555 6.058 1.00 0.00 O ATOM 206 OD2 ASP A 16 -1.608 17.439 5.201 1.00 0.00 O ATOM 0 H ASP A 16 0.212 15.042 1.607 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.763 13.821 3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.623 15.911 3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.719 16.724 3.012 1.00 0.00 H new ATOM 211 N HIS A 17 -3.070 14.984 1.979 1.00 0.00 N ATOM 212 CA HIS A 17 -4.483 14.880 1.639 1.00 0.00 C ATOM 213 C HIS A 17 -4.911 13.415 1.651 1.00 0.00 C ATOM 214 O HIS A 17 -5.898 13.082 2.302 1.00 0.00 O ATOM 215 CB HIS A 17 -4.751 15.531 0.268 1.00 0.00 C ATOM 216 CG HIS A 17 -5.600 16.769 0.365 1.00 0.00 C ATOM 217 ND1 HIS A 17 -6.954 16.838 0.136 1.00 0.00 N ATOM 218 CD2 HIS A 17 -5.169 18.021 0.707 1.00 0.00 C ATOM 219 CE1 HIS A 17 -7.330 18.116 0.317 1.00 0.00 C ATOM 220 NE2 HIS A 17 -6.276 18.877 0.665 1.00 0.00 N ATOM 0 H HIS A 17 -2.510 15.377 1.222 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.074 15.415 2.383 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.800 15.784 -0.201 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.244 14.808 -0.382 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.157 18.299 0.963 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.339 18.482 0.199 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.282 19.878 0.859 1.00 0.00 H new ATOM 228 N GLU A 18 -4.165 12.544 0.961 1.00 0.00 N ATOM 229 CA GLU A 18 -4.487 11.127 0.848 1.00 0.00 C ATOM 230 C GLU A 18 -4.448 10.509 2.248 1.00 0.00 C ATOM 231 O GLU A 18 -5.359 9.781 2.612 1.00 0.00 O ATOM 232 CB GLU A 18 -3.541 10.436 -0.160 1.00 0.00 C ATOM 233 CG GLU A 18 -3.999 9.015 -0.557 1.00 0.00 C ATOM 234 CD GLU A 18 -3.145 8.363 -1.665 1.00 0.00 C ATOM 235 OE1 GLU A 18 -1.980 8.776 -1.871 1.00 0.00 O ATOM 236 OE2 GLU A 18 -3.624 7.414 -2.330 1.00 0.00 O ATOM 0 H GLU A 18 -3.315 12.811 0.464 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.492 10.985 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.468 11.050 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.541 10.380 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.976 8.377 0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.036 9.059 -0.891 1.00 0.00 H new ATOM 243 N LEU A 19 -3.460 10.866 3.074 1.00 0.00 N ATOM 244 CA LEU A 19 -3.322 10.399 4.454 1.00 0.00 C ATOM 245 C LEU A 19 -4.560 10.741 5.281 1.00 0.00 C ATOM 246 O LEU A 19 -5.201 9.839 5.814 1.00 0.00 O ATOM 247 CB LEU A 19 -2.045 10.990 5.083 1.00 0.00 C ATOM 248 CG LEU A 19 -0.762 10.413 4.461 1.00 0.00 C ATOM 249 CD1 LEU A 19 0.450 11.330 4.641 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.422 9.037 4.988 1.00 0.00 C ATOM 0 H LEU A 19 -2.716 11.504 2.793 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.233 9.313 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.050 12.073 4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.046 10.792 6.155 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.985 10.334 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.325 10.870 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.253 12.291 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.636 11.483 5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.492 8.681 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.275 9.087 6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.238 8.350 4.764 1.00 0.00 H new ATOM 262 N GLN A 20 -4.942 12.015 5.365 1.00 0.00 N ATOM 263 CA GLN A 20 -6.146 12.399 6.100 1.00 0.00 C ATOM 264 C GLN A 20 -7.398 11.719 5.533 1.00 0.00 C ATOM 265 O GLN A 20 -8.280 11.309 6.289 1.00 0.00 O ATOM 266 CB GLN A 20 -6.317 13.921 6.094 1.00 0.00 C ATOM 267 CG GLN A 20 -5.219 14.624 6.911 1.00 0.00 C ATOM 268 CD GLN A 20 -5.690 15.955 7.491 1.00 0.00 C ATOM 269 OE1 GLN A 20 -6.265 16.003 8.570 1.00 0.00 O ATOM 270 NE2 GLN A 20 -5.439 17.079 6.845 1.00 0.00 N ATOM 0 H GLN A 20 -4.440 12.793 4.937 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.023 12.061 7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.295 14.285 5.067 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.294 14.178 6.502 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.898 13.970 7.722 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.350 14.794 6.276 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.960 17.054 5.945 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.724 17.972 7.246 1.00 0.00 H new ATOM 279 N ALA A 21 -7.482 11.567 4.210 1.00 0.00 N ATOM 280 CA ALA A 21 -8.582 10.874 3.565 1.00 0.00 C ATOM 281 C ALA A 21 -8.646 9.403 4.001 1.00 0.00 C ATOM 282 O ALA A 21 -9.733 8.906 4.307 1.00 0.00 O ATOM 283 CB ALA A 21 -8.482 11.046 2.047 1.00 0.00 C ATOM 0 H ALA A 21 -6.783 11.925 3.560 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.525 11.318 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.310 10.524 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.527 12.106 1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.538 10.630 1.695 1.00 0.00 H new ATOM 289 N LEU A 22 -7.501 8.719 4.069 1.00 0.00 N ATOM 290 CA LEU A 22 -7.359 7.348 4.556 1.00 0.00 C ATOM 291 C LEU A 22 -7.735 7.249 6.040 1.00 0.00 C ATOM 292 O LEU A 22 -8.183 6.190 6.480 1.00 0.00 O ATOM 293 CB LEU A 22 -5.906 6.855 4.359 1.00 0.00 C ATOM 294 CG LEU A 22 -5.450 6.627 2.901 1.00 0.00 C ATOM 295 CD1 LEU A 22 -3.925 6.477 2.855 1.00 0.00 C ATOM 296 CD2 LEU A 22 -6.094 5.404 2.253 1.00 0.00 C ATOM 0 H LEU A 22 -6.612 9.123 3.774 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.037 6.718 3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.234 7.580 4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.786 5.919 4.905 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.772 7.499 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.606 6.316 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.458 7.383 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.625 5.625 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.731 5.301 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.834 4.511 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.177 5.525 2.243 1.00 0.00 H new ATOM 308 N GLU A 23 -7.581 8.320 6.823 1.00 0.00 N ATOM 309 CA GLU A 23 -7.860 8.316 8.257 1.00 0.00 C ATOM 310 C GLU A 23 -9.361 8.411 8.550 1.00 0.00 C ATOM 311 O GLU A 23 -9.833 8.004 9.613 1.00 0.00 O ATOM 312 CB GLU A 23 -7.121 9.473 8.945 1.00 0.00 C ATOM 313 CG GLU A 23 -6.922 9.157 10.433 1.00 0.00 C ATOM 314 CD GLU A 23 -6.896 10.415 11.292 1.00 0.00 C ATOM 315 OE1 GLU A 23 -7.982 10.983 11.536 1.00 0.00 O ATOM 316 OE2 GLU A 23 -5.813 10.847 11.750 1.00 0.00 O ATOM 0 H GLU A 23 -7.256 9.222 6.474 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.503 7.366 8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.155 9.634 8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.690 10.396 8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.725 8.503 10.774 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.988 8.610 10.565 1.00 0.00 H new ATOM 323 N ALA A 24 -10.136 8.945 7.613 1.00 0.00 N ATOM 324 CA ALA A 24 -11.576 8.947 7.736 1.00 0.00 C ATOM 325 C ALA A 24 -12.112 7.558 7.387 1.00 0.00 C ATOM 326 O ALA A 24 -13.059 7.065 8.008 1.00 0.00 O ATOM 327 CB ALA A 24 -12.125 10.004 6.783 1.00 0.00 C ATOM 0 H ALA A 24 -9.784 9.381 6.761 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.886 9.182 8.754 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.212 10.028 6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.722 10.980 7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.834 9.759 5.762 1.00 0.00 H new ATOM 333 N ILE A 25 -11.513 6.942 6.365 1.00 0.00 N ATOM 334 CA ILE A 25 -12.045 5.784 5.667 1.00 0.00 C ATOM 335 C ILE A 25 -11.646 4.503 6.394 1.00 0.00 C ATOM 336 O ILE A 25 -12.518 3.704 6.744 1.00 0.00 O ATOM 337 CB ILE A 25 -11.562 5.828 4.199 1.00 0.00 C ATOM 338 CG1 ILE A 25 -12.168 7.058 3.485 1.00 0.00 C ATOM 339 CG2 ILE A 25 -11.846 4.529 3.428 1.00 0.00 C ATOM 340 CD1 ILE A 25 -13.625 6.920 3.048 1.00 0.00 C ATOM 0 H ILE A 25 -10.615 7.251 5.993 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.135 5.800 5.659 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.476 5.923 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.088 7.917 4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.564 7.279 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.482 4.626 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.338 3.698 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.920 4.341 3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.947 7.839 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.719 6.087 2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.251 6.735 3.921 1.00 0.00 H new ATOM 352 N TYR A 26 -10.346 4.315 6.616 1.00 0.00 N ATOM 353 CA TYR A 26 -9.779 3.185 7.330 1.00 0.00 C ATOM 354 C TYR A 26 -9.630 3.595 8.792 1.00 0.00 C ATOM 355 O TYR A 26 -10.270 3.009 9.668 1.00 0.00 O ATOM 356 CB TYR A 26 -8.455 2.767 6.671 1.00 0.00 C ATOM 357 CG TYR A 26 -8.609 2.408 5.202 1.00 0.00 C ATOM 358 CD1 TYR A 26 -9.209 1.190 4.835 1.00 0.00 C ATOM 359 CD2 TYR A 26 -8.193 3.304 4.200 1.00 0.00 C ATOM 360 CE1 TYR A 26 -9.412 0.869 3.479 1.00 0.00 C ATOM 361 CE2 TYR A 26 -8.386 2.986 2.845 1.00 0.00 C ATOM 362 CZ TYR A 26 -9.010 1.781 2.480 1.00 0.00 C ATOM 363 OH TYR A 26 -9.180 1.532 1.156 1.00 0.00 O ATOM 0 H TYR A 26 -9.638 4.972 6.289 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.423 2.307 7.287 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.735 3.580 6.767 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.043 1.912 7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.517 0.494 5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.724 4.238 4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.872 -0.069 3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.053 3.672 2.080 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.837 2.287 0.634 1.00 0.00 H new ATOM 373 N GLY A 27 -8.855 4.649 9.055 1.00 0.00 N ATOM 374 CA GLY A 27 -8.667 5.210 10.384 1.00 0.00 C ATOM 375 C GLY A 27 -7.814 4.294 11.253 1.00 0.00 C ATOM 376 O GLY A 27 -6.609 4.514 11.340 1.00 0.00 O ATOM 0 H GLY A 27 -8.332 5.143 8.332 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.191 6.187 10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.637 5.365 10.857 1.00 0.00 H new ATOM 380 N SER A 28 -8.400 3.279 11.889 1.00 0.00 N ATOM 381 CA SER A 28 -7.668 2.389 12.784 1.00 0.00 C ATOM 382 C SER A 28 -6.685 1.510 12.003 1.00 0.00 C ATOM 383 O SER A 28 -5.567 1.295 12.470 1.00 0.00 O ATOM 384 CB SER A 28 -8.664 1.571 13.613 1.00 0.00 C ATOM 385 OG SER A 28 -8.070 0.926 14.727 1.00 0.00 O ATOM 0 H SER A 28 -9.390 3.053 11.798 1.00 0.00 H new ATOM 0 HA SER A 28 -7.063 2.978 13.474 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.460 2.228 13.964 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.129 0.821 12.973 1.00 0.00 H new ATOM 0 HG SER A 28 -8.754 0.423 15.216 1.00 0.00 H new ATOM 391 N ASP A 29 -7.056 1.009 10.817 1.00 0.00 N ATOM 392 CA ASP A 29 -6.194 0.114 10.039 1.00 0.00 C ATOM 393 C ASP A 29 -4.919 0.849 9.617 1.00 0.00 C ATOM 394 O ASP A 29 -3.879 0.228 9.400 1.00 0.00 O ATOM 395 CB ASP A 29 -6.825 -0.382 8.723 1.00 0.00 C ATOM 396 CG ASP A 29 -8.325 -0.624 8.633 1.00 0.00 C ATOM 397 OD1 ASP A 29 -9.069 -0.455 9.624 1.00 0.00 O ATOM 398 OD2 ASP A 29 -8.724 -0.928 7.487 1.00 0.00 O ATOM 0 H ASP A 29 -7.953 1.211 10.375 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.013 -0.734 10.699 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.568 0.342 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.331 -1.318 8.461 1.00 0.00 H new ATOM 403 N PHE A 30 -5.027 2.166 9.428 1.00 0.00 N ATOM 404 CA PHE A 30 -3.991 3.095 9.014 1.00 0.00 C ATOM 405 C PHE A 30 -3.111 3.401 10.226 1.00 0.00 C ATOM 406 O PHE A 30 -3.571 4.032 11.176 1.00 0.00 O ATOM 407 CB PHE A 30 -4.686 4.358 8.458 1.00 0.00 C ATOM 408 CG PHE A 30 -3.819 5.557 8.124 1.00 0.00 C ATOM 409 CD1 PHE A 30 -2.451 5.425 7.824 1.00 0.00 C ATOM 410 CD2 PHE A 30 -4.396 6.840 8.144 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.680 6.569 7.579 1.00 0.00 C ATOM 412 CE2 PHE A 30 -3.623 7.979 7.870 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.263 7.846 7.565 1.00 0.00 C ATOM 0 H PHE A 30 -5.917 2.642 9.575 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.352 2.684 8.233 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.225 4.073 7.554 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.432 4.677 9.186 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.997 4.446 7.783 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.446 6.950 8.373 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.620 6.467 7.398 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.077 8.958 7.894 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.670 8.715 7.322 1.00 0.00 H new ATOM 423 N GLN A 31 -1.842 2.996 10.188 1.00 0.00 N ATOM 424 CA GLN A 31 -0.793 3.542 11.035 1.00 0.00 C ATOM 425 C GLN A 31 0.033 4.493 10.183 1.00 0.00 C ATOM 426 O GLN A 31 0.604 4.118 9.155 1.00 0.00 O ATOM 427 CB GLN A 31 0.092 2.460 11.679 1.00 0.00 C ATOM 428 CG GLN A 31 -0.244 2.297 13.173 1.00 0.00 C ATOM 429 CD GLN A 31 0.954 1.861 14.004 1.00 0.00 C ATOM 430 OE1 GLN A 31 1.938 2.595 14.091 1.00 0.00 O ATOM 431 NE2 GLN A 31 0.916 0.712 14.657 1.00 0.00 N ATOM 0 H GLN A 31 -1.513 2.267 9.555 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.252 4.066 11.873 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.053 1.511 11.163 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.142 2.728 11.565 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.624 3.242 13.560 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.043 1.563 13.283 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.097 0.109 14.580 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.705 0.429 15.238 1.00 0.00 H new ATOM 440 N ASP A 32 0.046 5.741 10.619 1.00 0.00 N ATOM 441 CA ASP A 32 0.784 6.849 10.040 1.00 0.00 C ATOM 442 C ASP A 32 2.177 6.820 10.675 1.00 0.00 C ATOM 443 O ASP A 32 2.359 7.231 11.820 1.00 0.00 O ATOM 444 CB ASP A 32 -0.023 8.127 10.325 1.00 0.00 C ATOM 445 CG ASP A 32 0.386 9.340 9.506 1.00 0.00 C ATOM 446 OD1 ASP A 32 1.144 9.185 8.532 1.00 0.00 O ATOM 447 OD2 ASP A 32 -0.109 10.451 9.816 1.00 0.00 O ATOM 0 H ASP A 32 -0.492 6.024 11.438 1.00 0.00 H new ATOM 0 HA ASP A 32 0.917 6.796 8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.078 7.922 10.141 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.074 8.372 11.383 1.00 0.00 H new ATOM 452 N LEU A 33 3.155 6.181 10.019 1.00 0.00 N ATOM 453 CA LEU A 33 4.418 5.793 10.673 1.00 0.00 C ATOM 454 C LEU A 33 5.405 6.960 10.800 1.00 0.00 C ATOM 455 O LEU A 33 6.436 6.837 11.466 1.00 0.00 O ATOM 456 CB LEU A 33 5.111 4.642 9.917 1.00 0.00 C ATOM 457 CG LEU A 33 4.280 3.364 9.705 1.00 0.00 C ATOM 458 CD1 LEU A 33 5.104 2.369 8.878 1.00 0.00 C ATOM 459 CD2 LEU A 33 3.871 2.700 11.022 1.00 0.00 C ATOM 0 H LEU A 33 3.098 5.920 9.035 1.00 0.00 H new ATOM 0 HA LEU A 33 4.140 5.466 11.675 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.422 5.013 8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.018 4.374 10.460 1.00 0.00 H new ATOM 0 HG LEU A 33 3.365 3.649 9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.525 1.459 8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.350 2.813 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.024 2.127 9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.287 1.804 10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.764 2.428 11.585 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.270 3.395 11.609 1.00 0.00 H new ATOM 641 N PRO A 44 9.773 10.191 2.904 1.00 0.00 N ATOM 642 CA PRO A 44 8.529 9.687 2.341 1.00 0.00 C ATOM 643 C PRO A 44 7.417 9.588 3.400 1.00 0.00 C ATOM 644 O PRO A 44 7.713 9.354 4.581 1.00 0.00 O ATOM 645 CB PRO A 44 8.904 8.313 1.793 1.00 0.00 C ATOM 646 CG PRO A 44 9.988 7.838 2.752 1.00 0.00 C ATOM 647 CD PRO A 44 10.751 9.121 3.031 1.00 0.00 C ATOM 0 HA PRO A 44 8.125 10.349 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.050 7.636 1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.272 8.375 0.769 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.568 7.408 3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.624 7.075 2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.190 9.107 4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.570 9.252 2.324 1.00 0.00 H new ATOM 655 N PRO A 45 6.133 9.714 3.010 1.00 0.00 N ATOM 656 CA PRO A 45 5.002 9.414 3.871 1.00 0.00 C ATOM 657 C PRO A 45 4.848 7.891 4.039 1.00 0.00 C ATOM 658 O PRO A 45 3.950 7.267 3.476 1.00 0.00 O ATOM 659 CB PRO A 45 3.795 10.077 3.211 1.00 0.00 C ATOM 660 CG PRO A 45 4.127 9.951 1.734 1.00 0.00 C ATOM 661 CD PRO A 45 5.648 10.101 1.692 1.00 0.00 C ATOM 0 HA PRO A 45 5.126 9.799 4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.864 9.570 3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.685 11.118 3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.808 8.989 1.332 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.632 10.723 1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.080 9.468 0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.931 11.127 1.459 1.00 0.00 H new ATOM 669 N GLU A 46 5.739 7.307 4.834 1.00 0.00 N ATOM 670 CA GLU A 46 5.765 5.889 5.157 1.00 0.00 C ATOM 671 C GLU A 46 4.533 5.550 6.003 1.00 0.00 C ATOM 672 O GLU A 46 4.289 6.200 7.025 1.00 0.00 O ATOM 673 CB GLU A 46 7.067 5.563 5.919 1.00 0.00 C ATOM 674 CG GLU A 46 7.754 4.253 5.482 1.00 0.00 C ATOM 675 CD GLU A 46 9.091 4.486 4.761 1.00 0.00 C ATOM 676 OE1 GLU A 46 9.923 5.302 5.234 1.00 0.00 O ATOM 677 OE2 GLU A 46 9.336 3.822 3.729 1.00 0.00 O ATOM 0 H GLU A 46 6.489 7.829 5.286 1.00 0.00 H new ATOM 0 HA GLU A 46 5.741 5.290 4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.767 6.388 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.844 5.504 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.925 3.629 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.084 3.700 4.823 1.00 0.00 H new ATOM 684 N ILE A 47 3.764 4.536 5.602 1.00 0.00 N ATOM 685 CA ILE A 47 2.555 4.113 6.301 1.00 0.00 C ATOM 686 C ILE A 47 2.433 2.589 6.341 1.00 0.00 C ATOM 687 O ILE A 47 3.135 1.865 5.627 1.00 0.00 O ATOM 688 CB ILE A 47 1.300 4.736 5.657 1.00 0.00 C ATOM 689 CG1 ILE A 47 1.061 4.272 4.202 1.00 0.00 C ATOM 690 CG2 ILE A 47 1.337 6.264 5.715 1.00 0.00 C ATOM 691 CD1 ILE A 47 -0.367 3.766 3.984 1.00 0.00 C ATOM 0 H ILE A 47 3.968 3.980 4.772 1.00 0.00 H new ATOM 0 HA ILE A 47 2.632 4.470 7.328 1.00 0.00 H new ATOM 0 HB ILE A 47 0.462 4.374 6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.259 5.100 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.767 3.480 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.437 6.668 5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.387 6.588 6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.214 6.627 5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.487 3.451 2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.558 2.920 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.074 4.566 4.205 1.00 0.00 H new ATOM 703 N ASN A 48 1.487 2.108 7.147 1.00 0.00 N ATOM 704 CA ASN A 48 1.072 0.728 7.243 1.00 0.00 C ATOM 705 C ASN A 48 -0.454 0.724 7.208 1.00 0.00 C ATOM 706 O ASN A 48 -1.065 1.361 8.064 1.00 0.00 O ATOM 707 CB ASN A 48 1.573 0.165 8.575 1.00 0.00 C ATOM 708 CG ASN A 48 1.200 -1.296 8.690 1.00 0.00 C ATOM 709 OD1 ASN A 48 1.973 -2.177 8.332 1.00 0.00 O ATOM 710 ND2 ASN A 48 0.017 -1.585 9.187 1.00 0.00 N ATOM 0 H ASN A 48 0.967 2.713 7.782 1.00 0.00 H new ATOM 0 HA ASN A 48 1.472 0.120 6.432 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.655 0.279 8.644 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.140 0.726 9.403 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.273 -2.558 9.281 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.611 -0.836 9.479 1.00 0.00 H new ATOM 717 N LEU A 49 -1.079 0.027 6.263 1.00 0.00 N ATOM 718 CA LEU A 49 -2.513 -0.275 6.277 1.00 0.00 C ATOM 719 C LEU A 49 -2.671 -1.774 6.540 1.00 0.00 C ATOM 720 O LEU A 49 -1.728 -2.537 6.307 1.00 0.00 O ATOM 721 CB LEU A 49 -3.155 0.143 4.936 1.00 0.00 C ATOM 722 CG LEU A 49 -3.418 1.661 4.847 1.00 0.00 C ATOM 723 CD1 LEU A 49 -3.545 2.166 3.403 1.00 0.00 C ATOM 724 CD2 LEU A 49 -4.688 2.051 5.606 1.00 0.00 C ATOM 0 H LEU A 49 -0.596 -0.353 5.449 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.024 0.284 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.502 -0.157 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.096 -0.392 4.806 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.546 2.131 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.729 3.240 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.621 1.959 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.375 1.658 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.845 3.126 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.543 1.526 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.582 1.779 6.656 1.00 0.00 H new ATOM 736 N VAL A 50 -3.842 -2.216 7.007 1.00 0.00 N ATOM 737 CA VAL A 50 -4.128 -3.642 7.223 1.00 0.00 C ATOM 738 C VAL A 50 -5.398 -4.009 6.466 1.00 0.00 C ATOM 739 O VAL A 50 -6.355 -3.239 6.469 1.00 0.00 O ATOM 740 CB VAL A 50 -4.237 -3.970 8.726 1.00 0.00 C ATOM 741 CG1 VAL A 50 -4.434 -5.482 8.930 1.00 0.00 C ATOM 742 CG2 VAL A 50 -2.954 -3.558 9.459 1.00 0.00 C ATOM 0 H VAL A 50 -4.618 -1.599 7.246 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.303 -4.242 6.839 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.090 -3.421 9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.509 -5.699 9.996 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.348 -5.801 8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.584 -6.020 8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.048 -3.796 10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.106 -4.098 9.039 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.796 -2.486 9.341 1.00 0.00 H new ATOM 752 N LEU A 51 -5.401 -5.150 5.774 1.00 0.00 N ATOM 753 CA LEU A 51 -6.454 -5.518 4.835 1.00 0.00 C ATOM 754 C LEU A 51 -6.857 -6.973 5.003 1.00 0.00 C ATOM 755 O LEU A 51 -6.013 -7.836 5.265 1.00 0.00 O ATOM 756 CB LEU A 51 -5.965 -5.242 3.406 1.00 0.00 C ATOM 757 CG LEU A 51 -5.881 -3.731 3.124 1.00 0.00 C ATOM 758 CD1 LEU A 51 -5.078 -3.473 1.858 1.00 0.00 C ATOM 759 CD2 LEU A 51 -7.287 -3.143 2.995 1.00 0.00 C ATOM 0 H LEU A 51 -4.663 -5.850 5.853 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.341 -4.917 5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.985 -5.696 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.642 -5.710 2.691 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.374 -3.245 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.027 -2.400 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.070 -3.868 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.561 -3.965 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.217 -2.074 2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.812 -3.632 2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.835 -3.304 3.923 1.00 0.00 H new ATOM 771 N TYR A 52 -8.154 -7.219 4.806 1.00 0.00 N ATOM 772 CA TYR A 52 -8.861 -8.453 5.131 1.00 0.00 C ATOM 773 C TYR A 52 -9.871 -8.776 4.015 1.00 0.00 C ATOM 774 O TYR A 52 -10.382 -7.838 3.387 1.00 0.00 O ATOM 775 CB TYR A 52 -9.641 -8.267 6.438 1.00 0.00 C ATOM 776 CG TYR A 52 -8.898 -7.763 7.662 1.00 0.00 C ATOM 777 CD1 TYR A 52 -8.491 -6.421 7.807 1.00 0.00 C ATOM 778 CD2 TYR A 52 -8.712 -8.651 8.727 1.00 0.00 C ATOM 779 CE1 TYR A 52 -7.872 -5.988 8.992 1.00 0.00 C ATOM 780 CE2 TYR A 52 -8.045 -8.249 9.893 1.00 0.00 C ATOM 781 CZ TYR A 52 -7.617 -6.907 10.037 1.00 0.00 C ATOM 782 OH TYR A 52 -6.965 -6.498 11.163 1.00 0.00 O ATOM 0 H TYR A 52 -8.771 -6.521 4.392 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.136 -9.260 5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.459 -7.575 6.239 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.090 -9.226 6.695 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.656 -5.721 7.002 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.088 -9.661 8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.590 -4.952 9.105 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.858 -8.963 10.681 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.873 -7.254 11.780 1.00 0.00 H new ATOM 792 N PRO A 53 -10.195 -10.055 3.753 1.00 0.00 N ATOM 793 CA PRO A 53 -11.127 -10.427 2.698 1.00 0.00 C ATOM 794 C PRO A 53 -12.578 -10.049 3.015 1.00 0.00 C ATOM 795 O PRO A 53 -12.993 -9.858 4.161 1.00 0.00 O ATOM 796 CB PRO A 53 -10.955 -11.933 2.504 1.00 0.00 C ATOM 797 CG PRO A 53 -10.449 -12.428 3.850 1.00 0.00 C ATOM 798 CD PRO A 53 -9.661 -11.239 4.405 1.00 0.00 C ATOM 0 HA PRO A 53 -10.906 -9.877 1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.897 -12.410 2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.245 -12.153 1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.272 -12.705 4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.818 -13.310 3.740 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.772 -11.170 5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.596 -11.349 4.200 1.00 0.00 H new ATOM 896 N VAL A 61 -11.097 -13.645 9.981 1.00 0.00 N ATOM 897 CA VAL A 61 -10.565 -13.906 8.642 1.00 0.00 C ATOM 898 C VAL A 61 -9.575 -15.074 8.673 1.00 0.00 C ATOM 899 O VAL A 61 -9.584 -15.893 9.597 1.00 0.00 O ATOM 900 CB VAL A 61 -10.143 -12.572 7.977 1.00 0.00 C ATOM 901 CG1 VAL A 61 -11.172 -11.469 8.263 1.00 0.00 C ATOM 902 CG2 VAL A 61 -8.738 -12.051 8.251 1.00 0.00 C ATOM 0 HA VAL A 61 -11.322 -14.283 7.954 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.116 -12.837 6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.854 -10.542 7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -12.143 -11.766 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.250 -11.315 9.339 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.588 -11.111 7.719 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.613 -11.886 9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.006 -12.782 7.909 1.00 0.00 H new ATOM 912 N TYR A 62 -8.848 -15.259 7.577 1.00 0.00 N ATOM 913 CA TYR A 62 -7.996 -16.409 7.327 1.00 0.00 C ATOM 914 C TYR A 62 -6.705 -15.823 6.789 1.00 0.00 C ATOM 915 O TYR A 62 -5.734 -15.642 7.525 1.00 0.00 O ATOM 916 CB TYR A 62 -8.686 -17.381 6.355 1.00 0.00 C ATOM 917 CG TYR A 62 -9.781 -18.215 6.995 1.00 0.00 C ATOM 918 CD1 TYR A 62 -11.005 -17.638 7.386 1.00 0.00 C ATOM 919 CD2 TYR A 62 -9.547 -19.575 7.253 1.00 0.00 C ATOM 920 CE1 TYR A 62 -11.957 -18.388 8.095 1.00 0.00 C ATOM 921 CE2 TYR A 62 -10.517 -20.350 7.906 1.00 0.00 C ATOM 922 CZ TYR A 62 -11.709 -19.753 8.363 1.00 0.00 C ATOM 923 OH TYR A 62 -12.627 -20.537 8.989 1.00 0.00 O ATOM 0 H TYR A 62 -8.838 -14.585 6.811 1.00 0.00 H new ATOM 0 HA TYR A 62 -7.795 -17.005 8.217 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.112 -16.812 5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.936 -18.048 5.930 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.213 -16.608 7.138 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.615 -20.027 6.947 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -12.872 -17.925 8.433 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -10.350 -21.406 8.059 1.00 0.00 H new ATOM 0 HH TYR A 62 -12.272 -21.446 9.082 1.00 0.00 H new ATOM 933 N VAL A 63 -6.750 -15.393 5.533 1.00 0.00 N ATOM 934 CA VAL A 63 -5.765 -14.503 4.970 1.00 0.00 C ATOM 935 C VAL A 63 -6.072 -13.096 5.480 1.00 0.00 C ATOM 936 O VAL A 63 -7.233 -12.721 5.636 1.00 0.00 O ATOM 937 CB VAL A 63 -5.804 -14.604 3.435 1.00 0.00 C ATOM 938 CG1 VAL A 63 -5.220 -15.931 2.938 1.00 0.00 C ATOM 939 CG2 VAL A 63 -7.218 -14.465 2.867 1.00 0.00 C ATOM 0 H VAL A 63 -7.484 -15.661 4.877 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.752 -14.768 5.274 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.196 -13.771 3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.266 -15.964 1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.182 -16.015 3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.796 -16.759 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.183 -14.544 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.851 -15.256 3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.629 -13.495 3.147 1.00 0.00 H new ATOM 949 N GLN A 64 -5.023 -12.318 5.699 1.00 0.00 N ATOM 950 CA GLN A 64 -5.000 -10.875 5.919 1.00 0.00 C ATOM 951 C GLN A 64 -3.567 -10.445 5.611 1.00 0.00 C ATOM 952 O GLN A 64 -2.654 -11.285 5.663 1.00 0.00 O ATOM 953 CB GLN A 64 -5.398 -10.490 7.362 1.00 0.00 C ATOM 954 CG GLN A 64 -4.475 -11.028 8.467 1.00 0.00 C ATOM 955 CD GLN A 64 -4.207 -10.006 9.564 1.00 0.00 C ATOM 956 OE1 GLN A 64 -4.688 -10.133 10.683 1.00 0.00 O ATOM 957 NE2 GLN A 64 -3.341 -9.039 9.287 1.00 0.00 N ATOM 0 H GLN A 64 -4.083 -12.712 5.731 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.729 -10.373 5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.428 -9.403 7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.410 -10.850 7.550 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.925 -11.918 8.908 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.528 -11.336 8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.955 -8.954 8.347 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.062 -8.381 10.014 1.00 0.00 H new ATOM 966 N VAL A 65 -3.318 -9.175 5.319 1.00 0.00 N ATOM 967 CA VAL A 65 -1.956 -8.713 5.094 1.00 0.00 C ATOM 968 C VAL A 65 -1.839 -7.271 5.570 1.00 0.00 C ATOM 969 O VAL A 65 -2.826 -6.531 5.588 1.00 0.00 O ATOM 970 CB VAL A 65 -1.576 -8.968 3.615 1.00 0.00 C ATOM 971 CG1 VAL A 65 -2.185 -7.998 2.602 1.00 0.00 C ATOM 972 CG2 VAL A 65 -0.070 -9.012 3.384 1.00 0.00 C ATOM 0 H VAL A 65 -4.034 -8.453 5.233 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.222 -9.269 5.678 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.015 -9.949 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.855 -8.266 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.272 -8.053 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.862 -6.982 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.131 -9.194 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.371 -8.060 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.366 -9.814 3.980 1.00 0.00 H new ATOM 982 N GLU A 66 -0.634 -6.883 5.971 1.00 0.00 N ATOM 983 CA GLU A 66 -0.261 -5.487 6.037 1.00 0.00 C ATOM 984 C GLU A 66 0.193 -5.077 4.649 1.00 0.00 C ATOM 985 O GLU A 66 0.908 -5.809 3.964 1.00 0.00 O ATOM 986 CB GLU A 66 0.910 -5.272 6.986 1.00 0.00 C ATOM 987 CG GLU A 66 0.507 -5.358 8.459 1.00 0.00 C ATOM 988 CD GLU A 66 1.715 -5.502 9.387 1.00 0.00 C ATOM 989 OE1 GLU A 66 2.877 -5.543 8.915 1.00 0.00 O ATOM 990 OE2 GLU A 66 1.518 -5.544 10.624 1.00 0.00 O ATOM 0 H GLU A 66 0.103 -7.527 6.257 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.112 -4.906 6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.679 -6.017 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.353 -4.295 6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.053 -4.464 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.160 -6.208 8.601 1.00 0.00 H new ATOM 997 N LEU A 67 -0.174 -3.867 4.268 1.00 0.00 N ATOM 998 CA LEU A 67 0.252 -3.205 3.067 1.00 0.00 C ATOM 999 C LEU A 67 1.131 -2.057 3.557 1.00 0.00 C ATOM 1000 O LEU A 67 0.674 -1.225 4.344 1.00 0.00 O ATOM 1001 CB LEU A 67 -1.034 -2.805 2.329 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.769 -1.839 1.172 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.498 -2.279 -0.104 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.204 -0.424 1.550 1.00 0.00 C ATOM 0 H LEU A 67 -0.811 -3.297 4.824 1.00 0.00 H new ATOM 0 HA LEU A 67 0.839 -3.785 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.523 -3.701 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.725 -2.342 3.034 1.00 0.00 H new ATOM 0 HG LEU A 67 0.303 -1.848 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.288 -1.571 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.153 -3.271 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.572 -2.308 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.009 0.251 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.270 -0.420 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.644 -0.093 2.424 1.00 0.00 H new ATOM 1016 N ARG A 68 2.413 -2.051 3.180 1.00 0.00 N ATOM 1017 CA ARG A 68 3.323 -0.957 3.489 1.00 0.00 C ATOM 1018 C ARG A 68 3.359 -0.109 2.236 1.00 0.00 C ATOM 1019 O ARG A 68 3.487 -0.646 1.131 1.00 0.00 O ATOM 1020 CB ARG A 68 4.745 -1.444 3.839 1.00 0.00 C ATOM 1021 CG ARG A 68 5.536 -0.355 4.591 1.00 0.00 C ATOM 1022 CD ARG A 68 5.651 -0.624 6.104 1.00 0.00 C ATOM 1023 NE ARG A 68 6.944 -1.249 6.448 1.00 0.00 N ATOM 1024 CZ ARG A 68 7.217 -2.119 7.431 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.256 -2.742 8.107 1.00 0.00 N ATOM 1026 NH2 ARG A 68 8.482 -2.384 7.735 1.00 0.00 N ATOM 0 H ARG A 68 2.845 -2.809 2.651 1.00 0.00 H new ATOM 0 HA ARG A 68 2.977 -0.411 4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.684 -2.343 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.274 -1.717 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.536 -0.282 4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.052 0.609 4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.542 0.313 6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.836 -1.274 6.422 1.00 0.00 H new ATOM 0 HE ARG A 68 7.734 -0.984 5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.277 -2.564 7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.498 -3.398 8.849 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.236 -1.927 7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.700 -3.044 8.481 1.00 0.00 H new ATOM 1040 N VAL A 69 3.281 1.202 2.392 1.00 0.00 N ATOM 1041 CA VAL A 69 3.489 2.142 1.305 1.00 0.00 C ATOM 1042 C VAL A 69 4.533 3.131 1.795 1.00 0.00 C ATOM 1043 O VAL A 69 4.516 3.549 2.953 1.00 0.00 O ATOM 1044 CB VAL A 69 2.156 2.789 0.879 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.355 3.916 -0.135 1.00 0.00 C ATOM 1046 CG2 VAL A 69 1.250 1.738 0.234 1.00 0.00 C ATOM 0 H VAL A 69 3.070 1.647 3.285 1.00 0.00 H new ATOM 0 HA VAL A 69 3.855 1.659 0.399 1.00 0.00 H new ATOM 0 HB VAL A 69 1.706 3.202 1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.387 4.339 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.982 4.693 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.838 3.520 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.310 2.202 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.744 1.321 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.050 0.941 0.950 1.00 0.00 H new ATOM 1056 N LYS A 70 5.472 3.453 0.906 1.00 0.00 N ATOM 1057 CA LYS A 70 6.448 4.511 1.119 1.00 0.00 C ATOM 1058 C LYS A 70 5.943 5.804 0.493 1.00 0.00 C ATOM 1059 O LYS A 70 5.907 6.821 1.167 1.00 0.00 O ATOM 1060 CB LYS A 70 7.788 4.053 0.536 1.00 0.00 C ATOM 1061 CG LYS A 70 8.924 5.065 0.700 1.00 0.00 C ATOM 1062 CD LYS A 70 10.282 4.364 0.572 1.00 0.00 C ATOM 1063 CE LYS A 70 11.434 5.350 0.340 1.00 0.00 C ATOM 1064 NZ LYS A 70 12.622 5.013 1.153 1.00 0.00 N ATOM 0 H LYS A 70 5.574 2.979 0.009 1.00 0.00 H new ATOM 0 HA LYS A 70 6.592 4.711 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.078 3.118 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.656 3.841 -0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.837 5.846 -0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.849 5.553 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.477 3.789 1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.244 3.654 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.705 5.349 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.102 6.359 0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.377 5.703 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.371 5.038 2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.955 4.060 0.903 1.00 0.00 H new ATOM 1078 N CYS A 71 5.574 5.730 -0.791 1.00 0.00 N ATOM 1079 CA CYS A 71 5.414 6.836 -1.726 1.00 0.00 C ATOM 1080 C CYS A 71 6.695 7.686 -1.834 1.00 0.00 C ATOM 1081 O CYS A 71 7.098 8.341 -0.877 1.00 0.00 O ATOM 1082 CB CYS A 71 4.173 7.664 -1.397 1.00 0.00 C ATOM 1083 SG CYS A 71 2.695 6.708 -1.826 1.00 0.00 S ATOM 0 H CYS A 71 5.367 4.832 -1.228 1.00 0.00 H new ATOM 0 HA CYS A 71 5.252 6.414 -2.718 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.161 7.920 -0.338 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.189 8.602 -1.952 1.00 0.00 H new ATOM 0 HG CYS A 71 2.021 7.338 -2.742 1.00 0.00 H new ATOM 1089 N PRO A 72 7.386 7.693 -2.986 1.00 0.00 N ATOM 1090 CA PRO A 72 8.542 8.560 -3.173 1.00 0.00 C ATOM 1091 C PRO A 72 8.166 10.045 -3.058 1.00 0.00 C ATOM 1092 O PRO A 72 6.989 10.408 -3.169 1.00 0.00 O ATOM 1093 CB PRO A 72 9.113 8.206 -4.550 1.00 0.00 C ATOM 1094 CG PRO A 72 7.977 7.499 -5.277 1.00 0.00 C ATOM 1095 CD PRO A 72 7.172 6.862 -4.156 1.00 0.00 C ATOM 0 HA PRO A 72 9.288 8.402 -2.394 1.00 0.00 H new ATOM 0 HB2 PRO A 72 9.430 9.100 -5.088 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.987 7.561 -4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.374 8.200 -5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.353 6.751 -5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.114 6.816 -4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.500 5.839 -3.973 1.00 0.00 H new ATOM 1103 N PRO A 73 9.158 10.947 -2.933 1.00 0.00 N ATOM 1104 CA PRO A 73 8.913 12.386 -2.848 1.00 0.00 C ATOM 1105 C PRO A 73 8.345 12.974 -4.155 1.00 0.00 C ATOM 1106 O PRO A 73 8.088 14.180 -4.218 1.00 0.00 O ATOM 1107 CB PRO A 73 10.256 13.004 -2.438 1.00 0.00 C ATOM 1108 CG PRO A 73 11.291 12.014 -2.971 1.00 0.00 C ATOM 1109 CD PRO A 73 10.587 10.661 -2.865 1.00 0.00 C ATOM 0 HA PRO A 73 8.139 12.615 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.390 13.995 -2.872 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.331 13.117 -1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.569 12.241 -4.000 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.207 12.036 -2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.891 9.998 -3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.841 10.161 -1.931 1.00 0.00 H new ATOM 1117 N THR A 74 8.130 12.152 -5.184 1.00 0.00 N ATOM 1118 CA THR A 74 7.501 12.503 -6.446 1.00 0.00 C ATOM 1119 C THR A 74 6.174 11.766 -6.670 1.00 0.00 C ATOM 1120 O THR A 74 5.524 12.017 -7.674 1.00 0.00 O ATOM 1121 CB THR A 74 8.492 12.212 -7.584 1.00 0.00 C ATOM 1122 OG1 THR A 74 8.994 10.894 -7.459 1.00 0.00 O ATOM 1123 CG2 THR A 74 9.696 13.154 -7.537 1.00 0.00 C ATOM 0 H THR A 74 8.408 11.171 -5.151 1.00 0.00 H new ATOM 0 HA THR A 74 7.253 13.564 -6.425 1.00 0.00 H new ATOM 0 HB THR A 74 7.951 12.349 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.624 10.713 -8.188 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.375 12.918 -8.357 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.355 14.185 -7.633 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.217 13.031 -6.588 1.00 0.00 H new ATOM 1131 N TYR A 75 5.737 10.847 -5.803 1.00 0.00 N ATOM 1132 CA TYR A 75 4.455 10.171 -6.014 1.00 0.00 C ATOM 1133 C TYR A 75 3.328 11.221 -5.999 1.00 0.00 C ATOM 1134 O TYR A 75 3.349 12.078 -5.107 1.00 0.00 O ATOM 1135 CB TYR A 75 4.265 9.095 -4.940 1.00 0.00 C ATOM 1136 CG TYR A 75 2.832 8.669 -4.699 1.00 0.00 C ATOM 1137 CD1 TYR A 75 2.016 9.404 -3.817 1.00 0.00 C ATOM 1138 CD2 TYR A 75 2.308 7.541 -5.353 1.00 0.00 C ATOM 1139 CE1 TYR A 75 0.684 9.020 -3.591 1.00 0.00 C ATOM 1140 CE2 TYR A 75 0.974 7.160 -5.138 1.00 0.00 C ATOM 1141 CZ TYR A 75 0.152 7.889 -4.250 1.00 0.00 C ATOM 1142 OH TYR A 75 -1.133 7.497 -4.039 1.00 0.00 O ATOM 0 H TYR A 75 6.241 10.559 -4.964 1.00 0.00 H new ATOM 0 HA TYR A 75 4.433 9.671 -6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.846 8.217 -5.222 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.680 9.464 -4.002 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.418 10.269 -3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.932 6.967 -6.022 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.066 9.590 -2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.573 6.302 -5.656 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.407 7.748 -3.132 1.00 0.00 H new ATOM 1152 N PRO A 76 2.330 11.165 -6.904 1.00 0.00 N ATOM 1153 CA PRO A 76 2.021 10.061 -7.814 1.00 0.00 C ATOM 1154 C PRO A 76 2.549 10.242 -9.259 1.00 0.00 C ATOM 1155 O PRO A 76 2.044 9.580 -10.166 1.00 0.00 O ATOM 1156 CB PRO A 76 0.492 9.966 -7.718 1.00 0.00 C ATOM 1157 CG PRO A 76 0.076 11.431 -7.690 1.00 0.00 C ATOM 1158 CD PRO A 76 1.178 12.061 -6.836 1.00 0.00 C ATOM 0 HA PRO A 76 2.527 9.138 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.063 9.438 -8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.173 9.436 -6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.038 11.863 -8.690 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.911 11.566 -7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.437 13.052 -7.209 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.845 12.185 -5.806 1.00 0.00 H new ATOM 1166 N ASP A 77 3.550 11.102 -9.513 1.00 0.00 N ATOM 1167 CA ASP A 77 4.237 11.220 -10.821 1.00 0.00 C ATOM 1168 C ASP A 77 5.028 9.961 -11.197 1.00 0.00 C ATOM 1169 O ASP A 77 5.253 9.685 -12.378 1.00 0.00 O ATOM 1170 CB ASP A 77 5.120 12.477 -10.866 1.00 0.00 C ATOM 1171 CG ASP A 77 6.217 12.434 -11.926 1.00 0.00 C ATOM 1172 OD1 ASP A 77 5.945 12.707 -13.115 1.00 0.00 O ATOM 1173 OD2 ASP A 77 7.396 12.216 -11.566 1.00 0.00 O ATOM 0 H ASP A 77 3.913 11.745 -8.810 1.00 0.00 H new ATOM 0 HA ASP A 77 3.458 11.323 -11.577 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.487 13.345 -11.049 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.581 12.619 -9.888 1.00 0.00 H new ATOM 1178 N VAL A 78 5.391 9.148 -10.211 1.00 0.00 N ATOM 1179 CA VAL A 78 5.954 7.824 -10.422 1.00 0.00 C ATOM 1180 C VAL A 78 5.151 6.848 -9.581 1.00 0.00 C ATOM 1181 O VAL A 78 4.563 7.223 -8.555 1.00 0.00 O ATOM 1182 CB VAL A 78 7.466 7.807 -10.113 1.00 0.00 C ATOM 1183 CG1 VAL A 78 8.236 8.810 -10.983 1.00 0.00 C ATOM 1184 CG2 VAL A 78 7.770 8.084 -8.636 1.00 0.00 C ATOM 0 H VAL A 78 5.300 9.397 -9.226 1.00 0.00 H new ATOM 0 HA VAL A 78 5.880 7.526 -11.468 1.00 0.00 H new ATOM 0 HB VAL A 78 7.800 6.796 -10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.297 8.768 -10.735 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.099 8.560 -12.035 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.860 9.816 -10.798 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.848 8.060 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.384 9.066 -8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.294 7.323 -8.018 1.00 0.00 H new ATOM 1194 N VAL A 79 5.141 5.589 -10.010 1.00 0.00 N ATOM 1195 CA VAL A 79 4.482 4.540 -9.256 1.00 0.00 C ATOM 1196 C VAL A 79 5.160 4.407 -7.886 1.00 0.00 C ATOM 1197 O VAL A 79 6.391 4.473 -7.804 1.00 0.00 O ATOM 1198 CB VAL A 79 4.434 3.218 -10.039 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.403 3.331 -11.158 1.00 0.00 C ATOM 1200 CG2 VAL A 79 5.752 2.789 -10.680 1.00 0.00 C ATOM 0 H VAL A 79 5.582 5.276 -10.875 1.00 0.00 H new ATOM 0 HA VAL A 79 3.439 4.809 -9.092 1.00 0.00 H new ATOM 0 HB VAL A 79 4.181 2.463 -9.295 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.367 2.395 -11.715 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.422 3.537 -10.730 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.683 4.142 -11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.610 1.846 -11.207 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.079 3.553 -11.385 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.509 2.661 -9.906 1.00 0.00 H new ATOM 1210 N PRO A 80 4.389 4.257 -6.799 1.00 0.00 N ATOM 1211 CA PRO A 80 4.931 4.129 -5.461 1.00 0.00 C ATOM 1212 C PRO A 80 5.607 2.775 -5.259 1.00 0.00 C ATOM 1213 O PRO A 80 5.461 1.833 -6.046 1.00 0.00 O ATOM 1214 CB PRO A 80 3.751 4.341 -4.505 1.00 0.00 C ATOM 1215 CG PRO A 80 2.532 3.971 -5.346 1.00 0.00 C ATOM 1216 CD PRO A 80 2.942 4.228 -6.785 1.00 0.00 C ATOM 0 HA PRO A 80 5.713 4.865 -5.274 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.834 3.709 -3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.699 5.372 -4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.254 2.928 -5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.667 4.574 -5.070 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.563 3.446 -7.442 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.531 5.172 -7.143 1.00 0.00 H new ATOM 1224 N GLU A 81 6.346 2.680 -4.157 1.00 0.00 N ATOM 1225 CA GLU A 81 6.923 1.432 -3.693 1.00 0.00 C ATOM 1226 C GLU A 81 5.870 0.671 -2.895 1.00 0.00 C ATOM 1227 O GLU A 81 4.969 1.268 -2.293 1.00 0.00 O ATOM 1228 CB GLU A 81 8.145 1.704 -2.812 1.00 0.00 C ATOM 1229 CG GLU A 81 9.204 2.537 -3.547 1.00 0.00 C ATOM 1230 CD GLU A 81 10.516 2.664 -2.772 1.00 0.00 C ATOM 1231 OE1 GLU A 81 11.036 1.636 -2.268 1.00 0.00 O ATOM 1232 OE2 GLU A 81 11.053 3.781 -2.661 1.00 0.00 O ATOM 0 H GLU A 81 6.560 3.478 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 81 7.242 0.839 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.832 2.228 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.583 0.757 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.405 2.083 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.805 3.533 -3.738 1.00 0.00 H new ATOM 1239 N ILE A 82 6.011 -0.648 -2.876 1.00 0.00 N ATOM 1240 CA ILE A 82 5.059 -1.601 -2.316 1.00 0.00 C ATOM 1241 C ILE A 82 5.877 -2.603 -1.497 1.00 0.00 C ATOM 1242 O ILE A 82 6.881 -3.119 -1.997 1.00 0.00 O ATOM 1243 CB ILE A 82 4.281 -2.269 -3.488 1.00 0.00 C ATOM 1244 CG1 ILE A 82 3.302 -1.278 -4.169 1.00 0.00 C ATOM 1245 CG2 ILE A 82 3.498 -3.522 -3.051 1.00 0.00 C ATOM 1246 CD1 ILE A 82 2.898 -1.659 -5.594 1.00 0.00 C ATOM 0 H ILE A 82 6.833 -1.106 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 82 4.317 -1.137 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 82 5.046 -2.574 -4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.402 -1.200 -3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.761 -0.290 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.976 -3.943 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.190 -4.262 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.773 -3.249 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.213 -0.910 -5.990 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.787 -1.707 -6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.406 -2.632 -5.585 1.00 0.00 H new ATOM 1258 N ASP A 83 5.445 -2.937 -0.280 1.00 0.00 N ATOM 1259 CA ASP A 83 5.788 -4.220 0.337 1.00 0.00 C ATOM 1260 C ASP A 83 4.548 -4.778 1.023 1.00 0.00 C ATOM 1261 O ASP A 83 3.691 -4.005 1.461 1.00 0.00 O ATOM 1262 CB ASP A 83 6.976 -4.160 1.319 1.00 0.00 C ATOM 1263 CG ASP A 83 8.127 -5.068 0.860 1.00 0.00 C ATOM 1264 OD1 ASP A 83 7.890 -6.274 0.598 1.00 0.00 O ATOM 1265 OD2 ASP A 83 9.296 -4.623 0.754 1.00 0.00 O ATOM 0 H ASP A 83 4.857 -2.337 0.298 1.00 0.00 H new ATOM 0 HA ASP A 83 6.123 -4.880 -0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.331 -3.133 1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.645 -4.463 2.312 1.00 0.00 H new ATOM 1270 N LEU A 84 4.473 -6.108 1.119 1.00 0.00 N ATOM 1271 CA LEU A 84 3.439 -6.845 1.844 1.00 0.00 C ATOM 1272 C LEU A 84 4.155 -7.587 2.967 1.00 0.00 C ATOM 1273 O LEU A 84 5.217 -8.185 2.743 1.00 0.00 O ATOM 1274 CB LEU A 84 2.685 -7.850 0.941 1.00 0.00 C ATOM 1275 CG LEU A 84 1.623 -7.329 -0.063 1.00 0.00 C ATOM 1276 CD1 LEU A 84 1.662 -5.829 -0.371 1.00 0.00 C ATOM 1277 CD2 LEU A 84 1.715 -8.097 -1.390 1.00 0.00 C ATOM 0 H LEU A 84 5.157 -6.722 0.677 1.00 0.00 H new ATOM 0 HA LEU A 84 2.685 -6.153 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.433 -8.400 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.191 -8.569 1.594 1.00 0.00 H new ATOM 0 HG LEU A 84 0.678 -7.505 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.875 -5.583 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.508 -5.265 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.631 -5.570 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.963 -7.719 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.707 -7.961 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.541 -9.158 -1.209 1.00 0.00 H new ATOM 1289 N LYS A 85 3.599 -7.550 4.174 1.00 0.00 N ATOM 1290 CA LYS A 85 4.119 -8.205 5.375 1.00 0.00 C ATOM 1291 C LYS A 85 2.933 -8.705 6.185 1.00 0.00 C ATOM 1292 O LYS A 85 1.783 -8.394 5.876 1.00 0.00 O ATOM 1293 CB LYS A 85 4.965 -7.226 6.222 1.00 0.00 C ATOM 1294 CG LYS A 85 6.229 -6.684 5.526 1.00 0.00 C ATOM 1295 CD LYS A 85 7.347 -7.737 5.463 1.00 0.00 C ATOM 1296 CE LYS A 85 8.343 -7.409 4.343 1.00 0.00 C ATOM 1297 NZ LYS A 85 8.015 -8.128 3.092 1.00 0.00 N ATOM 0 H LYS A 85 2.734 -7.040 4.352 1.00 0.00 H new ATOM 0 HA LYS A 85 4.767 -9.033 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.337 -6.383 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.263 -7.729 7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.977 -6.362 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.589 -5.805 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.869 -7.777 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.915 -8.723 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.341 -6.335 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.351 -7.675 4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.339 -7.570 2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.489 -9.054 3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.986 -8.266 3.031 1.00 0.00 H new ATOM 1311 N ASN A 86 3.187 -9.460 7.255 1.00 0.00 N ATOM 1312 CA ASN A 86 2.141 -10.070 8.081 1.00 0.00 C ATOM 1313 C ASN A 86 1.115 -10.841 7.235 1.00 0.00 C ATOM 1314 O ASN A 86 -0.068 -10.879 7.582 1.00 0.00 O ATOM 1315 CB ASN A 86 1.479 -9.011 8.989 1.00 0.00 C ATOM 1316 CG ASN A 86 2.277 -8.814 10.255 1.00 0.00 C ATOM 1317 OD1 ASN A 86 1.934 -9.400 11.280 1.00 0.00 O ATOM 1318 ND2 ASN A 86 3.326 -8.013 10.212 1.00 0.00 N ATOM 0 H ASN A 86 4.132 -9.668 7.576 1.00 0.00 H new ATOM 0 HA ASN A 86 2.612 -10.809 8.729 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.399 -8.065 8.453 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.465 -9.322 9.238 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.887 -7.861 11.051 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.576 -7.546 9.340 1.00 0.00 H new ATOM 1325 N ALA A 87 1.540 -11.422 6.108 1.00 0.00 N ATOM 1326 CA ALA A 87 0.646 -12.098 5.185 1.00 0.00 C ATOM 1327 C ALA A 87 0.239 -13.447 5.759 1.00 0.00 C ATOM 1328 O ALA A 87 0.859 -14.477 5.494 1.00 0.00 O ATOM 1329 CB ALA A 87 1.275 -12.234 3.807 1.00 0.00 C ATOM 0 H ALA A 87 2.518 -11.432 5.817 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.253 -11.495 5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.581 -12.744 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.499 -11.244 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.196 -12.812 3.883 1.00 0.00 H new ATOM 1335 N LYS A 88 -0.823 -13.427 6.551 1.00 0.00 N ATOM 1336 CA LYS A 88 -1.390 -14.630 7.148 1.00 0.00 C ATOM 1337 C LYS A 88 -2.035 -15.444 6.029 1.00 0.00 C ATOM 1338 O LYS A 88 -2.376 -14.888 4.973 1.00 0.00 O ATOM 1339 CB LYS A 88 -2.388 -14.263 8.259 1.00 0.00 C ATOM 1340 CG LYS A 88 -1.767 -14.202 9.667 1.00 0.00 C ATOM 1341 CD LYS A 88 -0.729 -13.119 10.012 1.00 0.00 C ATOM 1342 CE LYS A 88 -1.389 -11.781 10.374 1.00 0.00 C ATOM 1343 NZ LYS A 88 -0.707 -11.064 11.480 1.00 0.00 N ATOM 0 H LYS A 88 -1.319 -12.571 6.800 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.616 -15.232 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.833 -13.295 8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.197 -14.993 8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.587 -14.100 10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.300 -15.169 9.856 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.116 -13.458 10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.060 -12.975 9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.403 -11.142 9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.427 -11.961 10.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.336 -10.325 11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.473 -11.737 12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.167 -10.627 11.124 1.00 0.00 H new ATOM 1357 N GLY A 89 -2.181 -16.752 6.239 1.00 0.00 N ATOM 1358 CA GLY A 89 -2.582 -17.704 5.212 1.00 0.00 C ATOM 1359 C GLY A 89 -1.435 -17.930 4.218 1.00 0.00 C ATOM 1360 O GLY A 89 -0.854 -19.015 4.156 1.00 0.00 O ATOM 0 H GLY A 89 -2.020 -17.185 7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.864 -18.650 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.461 -17.332 4.685 1.00 0.00 H new ATOM 1364 N LEU A 90 -1.063 -16.897 3.465 1.00 0.00 N ATOM 1365 CA LEU A 90 -0.138 -16.986 2.338 1.00 0.00 C ATOM 1366 C LEU A 90 1.293 -17.249 2.808 1.00 0.00 C ATOM 1367 O LEU A 90 2.022 -17.946 2.123 1.00 0.00 O ATOM 1368 CB LEU A 90 -0.162 -15.688 1.511 1.00 0.00 C ATOM 1369 CG LEU A 90 -1.580 -15.205 1.136 1.00 0.00 C ATOM 1370 CD1 LEU A 90 -1.552 -13.696 0.966 1.00 0.00 C ATOM 1371 CD2 LEU A 90 -2.082 -15.838 -0.155 1.00 0.00 C ATOM 0 H LEU A 90 -1.406 -15.950 3.626 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.466 -17.822 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.341 -14.902 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.411 -15.842 0.597 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.258 -15.501 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.548 -13.341 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.238 -13.230 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.850 -13.432 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.083 -15.467 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.410 -15.579 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.113 -16.922 -0.041 1.00 0.00 H new ATOM 1383 N SER A 91 1.724 -16.670 3.934 1.00 0.00 N ATOM 1384 CA SER A 91 3.084 -16.731 4.468 1.00 0.00 C ATOM 1385 C SER A 91 4.145 -16.648 3.355 1.00 0.00 C ATOM 1386 O SER A 91 4.920 -17.580 3.129 1.00 0.00 O ATOM 1387 CB SER A 91 3.215 -17.962 5.376 1.00 0.00 C ATOM 1388 OG SER A 91 4.351 -17.855 6.223 1.00 0.00 O ATOM 0 H SER A 91 1.101 -16.120 4.525 1.00 0.00 H new ATOM 0 HA SER A 91 3.277 -15.853 5.085 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.315 -18.068 5.982 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.296 -18.861 4.765 1.00 0.00 H new ATOM 0 HG SER A 91 4.411 -18.651 6.792 1.00 0.00 H new ATOM 1394 N ASN A 92 4.181 -15.501 2.665 1.00 0.00 N ATOM 1395 CA ASN A 92 5.144 -15.138 1.615 1.00 0.00 C ATOM 1396 C ASN A 92 4.997 -15.941 0.313 1.00 0.00 C ATOM 1397 O ASN A 92 5.807 -15.728 -0.589 1.00 0.00 O ATOM 1398 CB ASN A 92 6.601 -15.167 2.116 1.00 0.00 C ATOM 1399 CG ASN A 92 6.850 -14.348 3.371 1.00 0.00 C ATOM 1400 OD1 ASN A 92 6.896 -14.915 4.461 1.00 0.00 O ATOM 1401 ND2 ASN A 92 7.013 -13.038 3.265 1.00 0.00 N ATOM 0 H ASN A 92 3.501 -14.759 2.833 1.00 0.00 H new ATOM 0 HA ASN A 92 4.889 -14.108 1.364 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.885 -16.201 2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.252 -14.801 1.323 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.181 -12.476 4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.970 -12.591 2.349 1.00 0.00 H new ATOM 1408 N GLU A 93 3.992 -16.815 0.183 1.00 0.00 N ATOM 1409 CA GLU A 93 3.702 -17.598 -1.022 1.00 0.00 C ATOM 1410 C GLU A 93 3.109 -16.677 -2.105 1.00 0.00 C ATOM 1411 O GLU A 93 3.820 -15.830 -2.648 1.00 0.00 O ATOM 1412 CB GLU A 93 2.790 -18.769 -0.611 1.00 0.00 C ATOM 1413 CG GLU A 93 2.575 -19.861 -1.661 1.00 0.00 C ATOM 1414 CD GLU A 93 1.442 -20.807 -1.236 1.00 0.00 C ATOM 1415 OE1 GLU A 93 1.358 -21.201 -0.048 1.00 0.00 O ATOM 1416 OE2 GLU A 93 0.612 -21.165 -2.098 1.00 0.00 O ATOM 0 H GLU A 93 3.336 -17.002 0.941 1.00 0.00 H new ATOM 0 HA GLU A 93 4.600 -18.026 -1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.209 -19.231 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.817 -18.364 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.335 -19.406 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.496 -20.427 -1.798 1.00 0.00 H new ATOM 1423 N SER A 94 1.794 -16.714 -2.355 1.00 0.00 N ATOM 1424 CA SER A 94 1.101 -15.865 -3.326 1.00 0.00 C ATOM 1425 C SER A 94 1.106 -14.365 -2.984 1.00 0.00 C ATOM 1426 O SER A 94 0.452 -13.551 -3.635 1.00 0.00 O ATOM 1427 CB SER A 94 -0.303 -16.410 -3.565 1.00 0.00 C ATOM 1428 OG SER A 94 -0.247 -17.766 -3.941 1.00 0.00 O ATOM 0 H SER A 94 1.166 -17.356 -1.871 1.00 0.00 H new ATOM 0 HA SER A 94 1.668 -15.913 -4.256 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.901 -16.302 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.797 -15.830 -4.345 1.00 0.00 H new ATOM 0 HG SER A 94 -1.082 -18.016 -4.389 1.00 0.00 H new ATOM 1434 N VAL A 95 1.872 -13.960 -1.978 1.00 0.00 N ATOM 1435 CA VAL A 95 2.318 -12.589 -1.756 1.00 0.00 C ATOM 1436 C VAL A 95 3.109 -12.128 -2.965 1.00 0.00 C ATOM 1437 O VAL A 95 2.900 -11.008 -3.418 1.00 0.00 O ATOM 1438 CB VAL A 95 3.196 -12.539 -0.494 1.00 0.00 C ATOM 1439 CG1 VAL A 95 3.493 -11.115 -0.021 1.00 0.00 C ATOM 1440 CG2 VAL A 95 2.483 -13.291 0.624 1.00 0.00 C ATOM 0 H VAL A 95 2.214 -14.604 -1.265 1.00 0.00 H new ATOM 0 HA VAL A 95 1.460 -11.931 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 95 4.152 -12.998 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.116 -11.151 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.017 -10.572 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.557 -10.606 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.093 -13.265 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.520 -12.820 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.325 -14.327 0.323 1.00 0.00 H new ATOM 1450 N ASN A 96 3.966 -13.005 -3.506 1.00 0.00 N ATOM 1451 CA ASN A 96 4.746 -12.727 -4.703 1.00 0.00 C ATOM 1452 C ASN A 96 3.825 -12.252 -5.810 1.00 0.00 C ATOM 1453 O ASN A 96 4.148 -11.275 -6.478 1.00 0.00 O ATOM 1454 CB ASN A 96 5.492 -13.979 -5.183 1.00 0.00 C ATOM 1455 CG ASN A 96 6.577 -14.422 -4.223 1.00 0.00 C ATOM 1456 OD1 ASN A 96 7.443 -13.637 -3.844 1.00 0.00 O ATOM 1457 ND2 ASN A 96 6.534 -15.659 -3.770 1.00 0.00 N ATOM 0 H ASN A 96 4.133 -13.933 -3.116 1.00 0.00 H new ATOM 0 HA ASN A 96 5.476 -11.956 -4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.778 -14.792 -5.317 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.936 -13.780 -6.158 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.227 -15.979 -3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.808 -16.297 -4.096 1.00 0.00 H new ATOM 1464 N LEU A 97 2.670 -12.909 -5.970 1.00 0.00 N ATOM 1465 CA LEU A 97 1.753 -12.590 -7.044 1.00 0.00 C ATOM 1466 C LEU A 97 1.219 -11.188 -6.863 1.00 0.00 C ATOM 1467 O LEU A 97 1.347 -10.346 -7.750 1.00 0.00 O ATOM 1468 CB LEU A 97 0.651 -13.638 -7.043 1.00 0.00 C ATOM 1469 CG LEU A 97 -0.403 -13.406 -8.129 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -1.045 -14.766 -8.325 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -1.467 -12.383 -7.730 1.00 0.00 C ATOM 0 H LEU A 97 2.357 -13.665 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 97 2.252 -12.611 -8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.096 -14.623 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.164 -13.643 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 97 0.058 -13.000 -9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.818 -14.697 -9.090 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.287 -15.484 -8.639 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.492 -15.096 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.183 -12.266 -8.544 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.987 -12.729 -6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.991 -11.424 -7.525 1.00 0.00 H new ATOM 1483 N LEU A 98 0.585 -10.960 -5.715 1.00 0.00 N ATOM 1484 CA LEU A 98 -0.155 -9.741 -5.472 1.00 0.00 C ATOM 1485 C LEU A 98 0.777 -8.545 -5.469 1.00 0.00 C ATOM 1486 O LEU A 98 0.374 -7.475 -5.904 1.00 0.00 O ATOM 1487 CB LEU A 98 -0.845 -9.870 -4.113 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.663 -8.640 -3.692 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.769 -8.326 -4.700 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.259 -8.888 -2.306 1.00 0.00 C ATOM 0 H LEU A 98 0.574 -11.617 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.892 -9.590 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.504 -10.738 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.088 -10.064 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.000 -7.775 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.326 -7.450 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.326 -8.126 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.445 -9.178 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.841 -8.019 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.906 -9.765 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.455 -9.057 -1.589 1.00 0.00 H new ATOM 1502 N LYS A 99 2.012 -8.701 -4.993 1.00 0.00 N ATOM 1503 CA LYS A 99 2.966 -7.608 -5.011 1.00 0.00 C ATOM 1504 C LYS A 99 3.200 -7.172 -6.452 1.00 0.00 C ATOM 1505 O LYS A 99 3.023 -5.994 -6.748 1.00 0.00 O ATOM 1506 CB LYS A 99 4.239 -8.018 -4.263 1.00 0.00 C ATOM 1507 CG LYS A 99 4.757 -6.852 -3.422 1.00 0.00 C ATOM 1508 CD LYS A 99 5.729 -7.335 -2.340 1.00 0.00 C ATOM 1509 CE LYS A 99 7.148 -7.397 -2.885 1.00 0.00 C ATOM 1510 NZ LYS A 99 8.112 -7.759 -1.838 1.00 0.00 N ATOM 0 H LYS A 99 2.368 -9.570 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 99 2.578 -6.737 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.032 -8.875 -3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.003 -8.330 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.257 -6.130 -4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.918 -6.336 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.692 -6.662 -1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.426 -8.320 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.197 -8.126 -3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.418 -6.431 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.079 -7.596 -2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.944 -7.175 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.997 -8.763 -1.592 1.00 0.00 H new ATOM 1524 N SER A 100 3.480 -8.115 -7.351 1.00 0.00 N ATOM 1525 CA SER A 100 3.647 -7.849 -8.772 1.00 0.00 C ATOM 1526 C SER A 100 2.392 -7.216 -9.401 1.00 0.00 C ATOM 1527 O SER A 100 2.498 -6.427 -10.342 1.00 0.00 O ATOM 1528 CB SER A 100 4.034 -9.166 -9.459 1.00 0.00 C ATOM 1529 OG SER A 100 5.163 -9.703 -8.789 1.00 0.00 O ATOM 0 H SER A 100 3.598 -9.098 -7.105 1.00 0.00 H new ATOM 0 HA SER A 100 4.439 -7.113 -8.913 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.203 -9.870 -9.426 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.263 -8.993 -10.510 1.00 0.00 H new ATOM 0 HG SER A 100 4.864 -10.267 -8.046 1.00 0.00 H new ATOM 1535 N HIS A 101 1.198 -7.533 -8.890 1.00 0.00 N ATOM 1536 CA HIS A 101 -0.069 -7.008 -9.400 1.00 0.00 C ATOM 1537 C HIS A 101 -0.291 -5.574 -8.914 1.00 0.00 C ATOM 1538 O HIS A 101 -0.692 -4.702 -9.678 1.00 0.00 O ATOM 1539 CB HIS A 101 -1.228 -7.925 -8.977 1.00 0.00 C ATOM 1540 CG HIS A 101 -1.311 -9.221 -9.748 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -0.276 -9.848 -10.381 1.00 0.00 N flip ATOM 1542 CD2 HIS A 101 -2.431 -10.000 -9.937 1.00 0.00 C flip ATOM 1543 CE1 HIS A 101 -0.759 -11.016 -10.975 1.00 0.00 C flip ATOM 1544 NE2 HIS A 101 -2.071 -11.061 -10.680 1.00 0.00 N flip ATOM 0 H HIS A 101 1.085 -8.169 -8.101 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.031 -6.987 -10.489 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.126 -8.153 -7.916 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.166 -7.384 -9.098 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.421 -9.795 -9.557 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -0.196 -11.735 -11.552 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -2.707 -11.800 -10.980 1.00 0.00 H new ATOM 1552 N LEU A 102 0.017 -5.277 -7.657 1.00 0.00 N ATOM 1553 CA LEU A 102 -0.006 -3.915 -7.135 1.00 0.00 C ATOM 1554 C LEU A 102 1.012 -3.065 -7.882 1.00 0.00 C ATOM 1555 O LEU A 102 0.719 -1.920 -8.222 1.00 0.00 O ATOM 1556 CB LEU A 102 0.220 -3.957 -5.622 1.00 0.00 C ATOM 1557 CG LEU A 102 -0.936 -4.669 -4.899 1.00 0.00 C ATOM 1558 CD1 LEU A 102 -0.522 -4.977 -3.465 1.00 0.00 C ATOM 1559 CD2 LEU A 102 -2.224 -3.845 -4.911 1.00 0.00 C ATOM 0 H LEU A 102 0.291 -5.977 -6.968 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.976 -3.446 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.157 -4.471 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.319 -2.941 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.145 -5.595 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.340 -5.482 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.356 -5.622 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.286 -4.048 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.010 -4.391 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.051 -2.892 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.531 -3.665 -5.941 1.00 0.00 H new ATOM 1571 N GLU A 103 2.174 -3.637 -8.195 1.00 0.00 N ATOM 1572 CA GLU A 103 3.205 -2.973 -8.971 1.00 0.00 C ATOM 1573 C GLU A 103 2.755 -2.676 -10.408 1.00 0.00 C ATOM 1574 O GLU A 103 3.298 -1.737 -10.991 1.00 0.00 O ATOM 1575 CB GLU A 103 4.494 -3.808 -8.949 1.00 0.00 C ATOM 1576 CG GLU A 103 5.249 -3.707 -7.614 1.00 0.00 C ATOM 1577 CD GLU A 103 6.607 -4.413 -7.676 1.00 0.00 C ATOM 1578 OE1 GLU A 103 6.687 -5.660 -7.669 1.00 0.00 O ATOM 1579 OE2 GLU A 103 7.635 -3.699 -7.775 1.00 0.00 O ATOM 0 H GLU A 103 2.423 -4.585 -7.911 1.00 0.00 H new ATOM 0 HA GLU A 103 3.402 -2.006 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.248 -4.852 -9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.148 -3.479 -9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.396 -2.658 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.646 -4.148 -6.820 1.00 0.00 H new ATOM 1586 N GLU A 104 1.770 -3.402 -10.960 1.00 0.00 N ATOM 1587 CA GLU A 104 1.250 -3.191 -12.309 1.00 0.00 C ATOM 1588 C GLU A 104 0.089 -2.204 -12.315 1.00 0.00 C ATOM 1589 O GLU A 104 0.038 -1.265 -13.105 1.00 0.00 O ATOM 1590 CB GLU A 104 0.920 -4.518 -13.000 1.00 0.00 C ATOM 1591 CG GLU A 104 -0.507 -5.027 -12.908 1.00 0.00 C ATOM 1592 CD GLU A 104 -0.833 -6.187 -13.836 1.00 0.00 C ATOM 1593 OE1 GLU A 104 -1.274 -5.931 -14.983 1.00 0.00 O ATOM 1594 OE2 GLU A 104 -0.838 -7.346 -13.364 1.00 0.00 O ATOM 0 H GLU A 104 1.308 -4.166 -10.467 1.00 0.00 H new ATOM 0 HA GLU A 104 2.039 -2.730 -12.904 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.173 -4.418 -14.056 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.576 -5.284 -12.586 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.702 -5.336 -11.881 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.186 -4.203 -13.127 1.00 0.00 H new ATOM 1601 N LEU A 105 -0.853 -2.433 -11.413 1.00 0.00 N ATOM 1602 CA LEU A 105 -2.009 -1.588 -11.133 1.00 0.00 C ATOM 1603 C LEU A 105 -1.541 -0.161 -10.929 1.00 0.00 C ATOM 1604 O LEU A 105 -2.134 0.770 -11.470 1.00 0.00 O ATOM 1605 CB LEU A 105 -2.737 -2.117 -9.891 1.00 0.00 C ATOM 1606 CG LEU A 105 -3.859 -1.186 -9.396 1.00 0.00 C ATOM 1607 CD1 LEU A 105 -4.965 -1.009 -10.442 1.00 0.00 C ATOM 1608 CD2 LEU A 105 -4.455 -1.778 -8.125 1.00 0.00 C ATOM 0 H LEU A 105 -0.832 -3.263 -10.820 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.706 -1.607 -11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.160 -3.096 -10.117 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.013 -2.260 -9.088 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.429 -0.203 -9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.735 -0.345 -10.049 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.542 -0.578 -11.349 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.406 -1.979 -10.673 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.252 -1.130 -7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.861 -2.767 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.679 -1.862 -7.364 1.00 0.00 H new ATOM 1620 N ALA A 106 -0.437 0.008 -10.205 1.00 0.00 N ATOM 1621 CA ALA A 106 0.153 1.295 -9.973 1.00 0.00 C ATOM 1622 C ALA A 106 0.423 2.020 -11.297 1.00 0.00 C ATOM 1623 O ALA A 106 0.110 3.201 -11.385 1.00 0.00 O ATOM 1624 CB ALA A 106 1.401 1.088 -9.117 1.00 0.00 C ATOM 0 H ALA A 106 0.067 -0.762 -9.765 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.528 1.950 -9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.873 2.051 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.121 0.624 -8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.101 0.441 -9.645 1.00 0.00 H new ATOM 1630 N LYS A 107 0.937 1.356 -12.348 1.00 0.00 N ATOM 1631 CA LYS A 107 1.171 2.021 -13.639 1.00 0.00 C ATOM 1632 C LYS A 107 -0.144 2.525 -14.222 1.00 0.00 C ATOM 1633 O LYS A 107 -0.191 3.627 -14.753 1.00 0.00 O ATOM 1634 CB LYS A 107 1.820 1.109 -14.694 1.00 0.00 C ATOM 1635 CG LYS A 107 3.341 0.985 -14.574 1.00 0.00 C ATOM 1636 CD LYS A 107 3.771 -0.057 -13.535 1.00 0.00 C ATOM 1637 CE LYS A 107 4.685 -1.139 -14.118 1.00 0.00 C ATOM 1638 NZ LYS A 107 5.940 -0.591 -14.677 1.00 0.00 N ATOM 0 H LYS A 107 1.195 0.369 -12.328 1.00 0.00 H new ATOM 0 HA LYS A 107 1.858 2.839 -13.421 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.380 0.115 -14.617 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.576 1.490 -15.686 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.757 0.716 -15.545 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.760 1.955 -14.305 1.00 0.00 H new ATOM 0 HD2 LYS A 107 4.287 0.445 -12.717 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.884 -0.528 -13.111 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.925 -1.863 -13.339 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.149 -1.678 -14.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.633 -1.358 -14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.748 -0.158 -15.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.323 0.129 -14.031 1.00 0.00 H new ATOM 1652 N LYS A 108 -1.219 1.741 -14.139 1.00 0.00 N ATOM 1653 CA LYS A 108 -2.489 2.087 -14.760 1.00 0.00 C ATOM 1654 C LYS A 108 -3.069 3.282 -14.016 1.00 0.00 C ATOM 1655 O LYS A 108 -3.599 4.204 -14.640 1.00 0.00 O ATOM 1656 CB LYS A 108 -3.434 0.874 -14.724 1.00 0.00 C ATOM 1657 CG LYS A 108 -2.924 -0.291 -15.595 1.00 0.00 C ATOM 1658 CD LYS A 108 -3.647 -1.613 -15.307 1.00 0.00 C ATOM 1659 CE LYS A 108 -5.125 -1.581 -15.703 1.00 0.00 C ATOM 1660 NZ LYS A 108 -5.804 -2.839 -15.335 1.00 0.00 N ATOM 0 H LYS A 108 -1.230 0.852 -13.640 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.352 2.356 -15.807 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.545 0.533 -13.695 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.423 1.176 -15.068 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.052 -0.035 -16.647 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.855 -0.423 -15.427 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.149 -2.419 -15.846 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.565 -1.842 -14.244 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.618 -0.742 -15.212 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.213 -1.418 -16.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.804 -2.789 -15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.347 -3.636 -15.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.740 -2.980 -14.307 1.00 0.00 H new ATOM 1674 N GLN A 109 -2.912 3.296 -12.692 1.00 0.00 N ATOM 1675 CA GLN A 109 -3.463 4.316 -11.820 1.00 0.00 C ATOM 1676 C GLN A 109 -2.569 5.560 -11.741 1.00 0.00 C ATOM 1677 O GLN A 109 -2.970 6.579 -11.174 1.00 0.00 O ATOM 1678 CB GLN A 109 -3.724 3.721 -10.425 1.00 0.00 C ATOM 1679 CG GLN A 109 -4.719 2.540 -10.472 1.00 0.00 C ATOM 1680 CD GLN A 109 -6.172 2.919 -10.766 1.00 0.00 C ATOM 1681 OE1 GLN A 109 -6.872 2.207 -11.485 1.00 0.00 O ATOM 1682 NE2 GLN A 109 -6.671 4.014 -10.229 1.00 0.00 N ATOM 0 H GLN A 109 -2.386 2.580 -12.192 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.410 4.649 -12.246 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.782 3.383 -9.994 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.115 4.498 -9.768 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.384 1.835 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.683 2.018 -9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.087 4.602 -9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.641 4.274 -10.409 1.00 0.00 H new ATOM 1691 N CYS A 110 -1.350 5.466 -12.280 1.00 0.00 N ATOM 1692 CA CYS A 110 -0.347 6.507 -12.272 1.00 0.00 C ATOM 1693 C CYS A 110 -0.910 7.712 -13.011 1.00 0.00 C ATOM 1694 O CYS A 110 -1.380 7.587 -14.145 1.00 0.00 O ATOM 1695 CB CYS A 110 0.926 5.977 -12.942 1.00 0.00 C ATOM 1696 SG CYS A 110 2.290 7.173 -12.891 1.00 0.00 S ATOM 0 H CYS A 110 -1.032 4.620 -12.752 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.091 6.807 -11.256 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.236 5.056 -12.448 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.708 5.724 -13.980 1.00 0.00 H new ATOM 0 HG CYS A 110 2.116 7.988 -11.893 1.00 0.00 H new ATOM 1702 N GLY A 111 -0.849 8.863 -12.355 1.00 0.00 N ATOM 1703 CA GLY A 111 -1.547 10.074 -12.740 1.00 0.00 C ATOM 1704 C GLY A 111 -1.960 10.818 -11.480 1.00 0.00 C ATOM 1705 O GLY A 111 -1.803 12.035 -11.374 1.00 0.00 O ATOM 0 H GLY A 111 -0.290 8.979 -11.509 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.903 10.702 -13.356 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.424 9.831 -13.340 1.00 0.00 H new ATOM 1709 N GLU A 112 -2.472 10.072 -10.507 1.00 0.00 N ATOM 1710 CA GLU A 112 -3.127 10.579 -9.317 1.00 0.00 C ATOM 1711 C GLU A 112 -3.053 9.506 -8.227 1.00 0.00 C ATOM 1712 O GLU A 112 -2.331 8.515 -8.373 1.00 0.00 O ATOM 1713 CB GLU A 112 -4.561 10.998 -9.682 1.00 0.00 C ATOM 1714 CG GLU A 112 -5.417 9.838 -10.214 1.00 0.00 C ATOM 1715 CD GLU A 112 -6.563 10.337 -11.089 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -6.301 10.951 -12.153 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -7.742 10.130 -10.713 1.00 0.00 O ATOM 0 H GLU A 112 -2.438 9.053 -10.532 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.634 11.467 -8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.043 11.422 -8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.521 11.786 -10.434 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.790 9.157 -10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.820 9.269 -9.376 1.00 0.00 H new ATOM 1724 N VAL A 113 -3.754 9.727 -7.117 1.00 0.00 N ATOM 1725 CA VAL A 113 -3.741 8.839 -5.963 1.00 0.00 C ATOM 1726 C VAL A 113 -4.122 7.410 -6.353 1.00 0.00 C ATOM 1727 O VAL A 113 -4.908 7.203 -7.280 1.00 0.00 O ATOM 1728 CB VAL A 113 -4.705 9.371 -4.878 1.00 0.00 C ATOM 1729 CG1 VAL A 113 -4.137 10.632 -4.228 1.00 0.00 C ATOM 1730 CG2 VAL A 113 -6.121 9.690 -5.396 1.00 0.00 C ATOM 0 H VAL A 113 -4.356 10.542 -6.995 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.726 8.816 -5.565 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.795 8.560 -4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.829 10.992 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.177 10.402 -3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.999 11.402 -4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.735 10.058 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.061 10.452 -6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.570 8.786 -5.808 1.00 0.00 H new ATOM 1740 N MET A 114 -3.597 6.416 -5.636 1.00 0.00 N ATOM 1741 CA MET A 114 -3.872 5.012 -5.927 1.00 0.00 C ATOM 1742 C MET A 114 -3.930 4.139 -4.674 1.00 0.00 C ATOM 1743 O MET A 114 -4.307 2.978 -4.815 1.00 0.00 O ATOM 1744 CB MET A 114 -2.863 4.470 -6.947 1.00 0.00 C ATOM 1745 CG MET A 114 -1.439 4.382 -6.405 1.00 0.00 C ATOM 1746 SD MET A 114 -0.197 3.953 -7.649 1.00 0.00 S ATOM 1747 CE MET A 114 -0.278 5.380 -8.767 1.00 0.00 C ATOM 0 H MET A 114 -2.973 6.562 -4.842 1.00 0.00 H new ATOM 0 HA MET A 114 -4.869 4.966 -6.364 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.182 3.479 -7.271 1.00 0.00 H new ATOM 0 HB3 MET A 114 -2.869 5.111 -7.829 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.173 5.339 -5.957 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.411 3.639 -5.608 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.721 5.794 -8.901 1.00 0.00 H new ATOM 0 HE2 MET A 114 -0.673 5.064 -9.733 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.931 6.141 -8.339 1.00 0.00 H new ATOM 1757 N ILE A 115 -3.612 4.626 -3.460 1.00 0.00 N ATOM 1758 CA ILE A 115 -3.548 3.746 -2.282 1.00 0.00 C ATOM 1759 C ILE A 115 -4.931 3.116 -2.039 1.00 0.00 C ATOM 1760 O ILE A 115 -5.027 1.942 -1.681 1.00 0.00 O ATOM 1761 CB ILE A 115 -3.038 4.512 -1.020 1.00 0.00 C ATOM 1762 CG1 ILE A 115 -1.607 5.070 -1.206 1.00 0.00 C ATOM 1763 CG2 ILE A 115 -3.043 3.622 0.237 1.00 0.00 C ATOM 1764 CD1 ILE A 115 -1.112 5.999 -0.083 1.00 0.00 C ATOM 0 H ILE A 115 -3.399 5.606 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.828 2.951 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.734 5.340 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.916 4.231 -1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.567 5.614 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.681 4.195 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.058 3.278 0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -2.393 2.762 0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.100 6.335 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -1.773 6.862 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.112 5.458 0.863 1.00 0.00 H new ATOM 1776 N PHE A 116 -6.008 3.865 -2.283 1.00 0.00 N ATOM 1777 CA PHE A 116 -7.373 3.374 -2.149 1.00 0.00 C ATOM 1778 C PHE A 116 -7.641 2.198 -3.101 1.00 0.00 C ATOM 1779 O PHE A 116 -8.379 1.272 -2.747 1.00 0.00 O ATOM 1780 CB PHE A 116 -8.351 4.515 -2.446 1.00 0.00 C ATOM 1781 CG PHE A 116 -8.653 5.466 -1.303 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -7.726 6.439 -0.872 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -9.921 5.407 -0.700 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -8.076 7.342 0.153 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -10.277 6.318 0.300 1.00 0.00 C ATOM 1786 CZ PHE A 116 -9.356 7.284 0.736 1.00 0.00 C ATOM 0 H PHE A 116 -5.952 4.839 -2.582 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.513 3.017 -1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -7.953 5.097 -3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.291 4.079 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -6.748 6.492 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -10.627 4.651 -1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.362 8.078 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -11.263 6.278 0.738 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.629 7.980 1.516 1.00 0.00 H new ATOM 1796 N GLU A 117 -7.064 2.230 -4.304 1.00 0.00 N ATOM 1797 CA GLU A 117 -7.219 1.184 -5.306 1.00 0.00 C ATOM 1798 C GLU A 117 -6.362 -0.022 -4.926 1.00 0.00 C ATOM 1799 O GLU A 117 -6.829 -1.156 -4.972 1.00 0.00 O ATOM 1800 CB GLU A 117 -6.816 1.697 -6.703 1.00 0.00 C ATOM 1801 CG GLU A 117 -7.857 1.403 -7.797 1.00 0.00 C ATOM 1802 CD GLU A 117 -8.358 -0.044 -7.912 1.00 0.00 C ATOM 1803 OE1 GLU A 117 -9.114 -0.486 -7.019 1.00 0.00 O ATOM 1804 OE2 GLU A 117 -8.122 -0.684 -8.961 1.00 0.00 O ATOM 0 H GLU A 117 -6.467 2.998 -4.610 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.268 0.889 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.652 2.773 -6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.867 1.243 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.719 2.047 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.430 1.691 -8.757 1.00 0.00 H new ATOM 1811 N LEU A 118 -5.115 0.212 -4.497 1.00 0.00 N ATOM 1812 CA LEU A 118 -4.184 -0.841 -4.106 1.00 0.00 C ATOM 1813 C LEU A 118 -4.857 -1.719 -3.053 1.00 0.00 C ATOM 1814 O LEU A 118 -4.949 -2.939 -3.200 1.00 0.00 O ATOM 1815 CB LEU A 118 -2.874 -0.245 -3.557 1.00 0.00 C ATOM 1816 CG LEU A 118 -2.025 0.651 -4.491 1.00 0.00 C ATOM 1817 CD1 LEU A 118 -0.552 0.334 -4.271 1.00 0.00 C ATOM 1818 CD2 LEU A 118 -2.297 0.559 -5.993 1.00 0.00 C ATOM 0 H LEU A 118 -4.725 1.151 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.928 -1.440 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.121 0.339 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.245 -1.072 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.313 1.664 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.056 0.960 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.289 0.531 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.368 -0.716 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.632 1.239 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.120 -0.461 -6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.333 0.834 -6.193 1.00 0.00 H new ATOM 1830 N ALA A 119 -5.395 -1.070 -2.022 1.00 0.00 N ATOM 1831 CA ALA A 119 -6.224 -1.694 -1.005 1.00 0.00 C ATOM 1832 C ALA A 119 -7.362 -2.536 -1.587 1.00 0.00 C ATOM 1833 O ALA A 119 -7.580 -3.661 -1.129 1.00 0.00 O ATOM 1834 CB ALA A 119 -6.793 -0.634 -0.058 1.00 0.00 C ATOM 0 H ALA A 119 -5.260 -0.070 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.575 -2.375 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -7.412 -1.117 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.974 -0.103 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.398 0.073 -0.625 1.00 0.00 H new ATOM 1840 N HIS A 120 -8.130 -2.002 -2.538 1.00 0.00 N ATOM 1841 CA HIS A 120 -9.265 -2.700 -3.138 1.00 0.00 C ATOM 1842 C HIS A 120 -8.784 -3.953 -3.863 1.00 0.00 C ATOM 1843 O HIS A 120 -9.402 -5.012 -3.746 1.00 0.00 O ATOM 1844 CB HIS A 120 -10.032 -1.770 -4.094 1.00 0.00 C ATOM 1845 CG HIS A 120 -11.476 -1.478 -3.750 1.00 0.00 C ATOM 1846 ND1 HIS A 120 -12.358 -0.888 -4.619 1.00 0.00 N ATOM 1847 CD2 HIS A 120 -12.144 -1.674 -2.568 1.00 0.00 C ATOM 1848 CE1 HIS A 120 -13.517 -0.700 -3.976 1.00 0.00 C ATOM 1849 NE2 HIS A 120 -13.454 -1.192 -2.722 1.00 0.00 N ATOM 0 H HIS A 120 -7.980 -1.066 -2.915 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.950 -3.001 -2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.497 -0.822 -4.147 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.003 -2.209 -5.091 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -11.734 -2.121 -1.675 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.385 -0.220 -4.403 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -14.202 -1.210 -2.029 1.00 0.00 H new ATOM 1857 N HIS A 121 -7.670 -3.854 -4.578 1.00 0.00 N ATOM 1858 CA HIS A 121 -7.070 -4.953 -5.303 1.00 0.00 C ATOM 1859 C HIS A 121 -6.652 -6.074 -4.338 1.00 0.00 C ATOM 1860 O HIS A 121 -6.934 -7.248 -4.581 1.00 0.00 O ATOM 1861 CB HIS A 121 -5.901 -4.384 -6.110 1.00 0.00 C ATOM 1862 CG HIS A 121 -5.493 -5.277 -7.240 1.00 0.00 C ATOM 1863 ND1 HIS A 121 -5.930 -5.174 -8.541 1.00 0.00 N ATOM 1864 CD2 HIS A 121 -4.611 -6.316 -7.164 1.00 0.00 C ATOM 1865 CE1 HIS A 121 -5.303 -6.125 -9.246 1.00 0.00 C ATOM 1866 NE2 HIS A 121 -4.546 -6.892 -8.438 1.00 0.00 N ATOM 0 H HIS A 121 -7.150 -2.981 -4.668 1.00 0.00 H new ATOM 0 HA HIS A 121 -7.780 -5.413 -5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.179 -3.407 -6.506 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.049 -4.229 -5.448 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -6.605 -4.500 -8.901 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.066 -6.633 -6.287 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -5.392 -6.258 -10.314 1.00 0.00 H new ATOM 1874 N VAL A 122 -6.025 -5.724 -3.210 1.00 0.00 N ATOM 1875 CA VAL A 122 -5.689 -6.664 -2.142 1.00 0.00 C ATOM 1876 C VAL A 122 -6.954 -7.339 -1.610 1.00 0.00 C ATOM 1877 O VAL A 122 -6.934 -8.552 -1.430 1.00 0.00 O ATOM 1878 CB VAL A 122 -4.915 -5.927 -1.029 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -4.684 -6.798 0.213 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -3.570 -5.376 -1.524 1.00 0.00 C ATOM 0 H VAL A 122 -5.734 -4.766 -3.013 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.045 -7.451 -2.534 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.554 -5.091 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.135 -6.226 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.645 -7.106 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.108 -7.681 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.062 -4.866 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.949 -6.198 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.743 -4.672 -2.338 1.00 0.00 H new ATOM 1890 N GLN A 123 -8.044 -6.611 -1.349 1.00 0.00 N ATOM 1891 CA GLN A 123 -9.282 -7.210 -0.837 1.00 0.00 C ATOM 1892 C GLN A 123 -9.789 -8.289 -1.797 1.00 0.00 C ATOM 1893 O GLN A 123 -10.110 -9.404 -1.377 1.00 0.00 O ATOM 1894 CB GLN A 123 -10.340 -6.118 -0.632 1.00 0.00 C ATOM 1895 CG GLN A 123 -10.042 -5.207 0.557 1.00 0.00 C ATOM 1896 CD GLN A 123 -10.762 -3.876 0.381 1.00 0.00 C ATOM 1897 OE1 GLN A 123 -9.987 -2.831 0.184 1.00 0.00 O flip ATOM 1898 NE2 GLN A 123 -11.988 -3.778 0.361 1.00 0.00 N flip ATOM 0 H GLN A 123 -8.095 -5.601 -1.484 1.00 0.00 H new ATOM 0 HA GLN A 123 -9.080 -7.683 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -10.409 -5.513 -1.536 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -11.313 -6.587 -0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -10.363 -5.685 1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.968 -5.042 0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -12.568 -4.602 0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -12.424 -2.872 0.189 1.00 0.00 H new ATOM 1907 N SER A 124 -9.791 -7.975 -3.094 1.00 0.00 N ATOM 1908 CA SER A 124 -10.195 -8.888 -4.151 1.00 0.00 C ATOM 1909 C SER A 124 -9.328 -10.148 -4.191 1.00 0.00 C ATOM 1910 O SER A 124 -9.865 -11.243 -4.392 1.00 0.00 O ATOM 1911 CB SER A 124 -10.144 -8.144 -5.489 1.00 0.00 C ATOM 1912 OG SER A 124 -11.424 -7.619 -5.792 1.00 0.00 O ATOM 0 H SER A 124 -9.505 -7.059 -3.440 1.00 0.00 H new ATOM 0 HA SER A 124 -11.212 -9.224 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.412 -7.338 -5.440 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.821 -8.821 -6.280 1.00 0.00 H new ATOM 0 HG SER A 124 -11.388 -7.142 -6.647 1.00 0.00 H new ATOM 1918 N PHE A 125 -8.010 -10.017 -4.010 1.00 0.00 N ATOM 1919 CA PHE A 125 -7.088 -11.132 -3.975 1.00 0.00 C ATOM 1920 C PHE A 125 -7.313 -11.946 -2.699 1.00 0.00 C ATOM 1921 O PHE A 125 -7.263 -13.174 -2.714 1.00 0.00 O ATOM 1922 CB PHE A 125 -5.669 -10.558 -3.997 1.00 0.00 C ATOM 1923 CG PHE A 125 -4.627 -11.628 -3.810 1.00 0.00 C ATOM 1924 CD1 PHE A 125 -4.338 -12.040 -2.504 1.00 0.00 C ATOM 1925 CD2 PHE A 125 -4.070 -12.298 -4.908 1.00 0.00 C ATOM 1926 CE1 PHE A 125 -3.580 -13.203 -2.295 1.00 0.00 C ATOM 1927 CE2 PHE A 125 -3.245 -13.417 -4.700 1.00 0.00 C ATOM 1928 CZ PHE A 125 -3.020 -13.884 -3.393 1.00 0.00 C ATOM 0 H PHE A 125 -7.556 -9.112 -3.882 1.00 0.00 H new ATOM 0 HA PHE A 125 -7.241 -11.791 -4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -5.499 -10.047 -4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -5.567 -9.811 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.696 -11.466 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.274 -11.955 -5.912 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.426 -13.575 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.786 -13.916 -5.541 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.417 -14.765 -3.231 1.00 0.00 H new ATOM 1938 N LEU A 126 -7.517 -11.265 -1.568 1.00 0.00 N ATOM 1939 CA LEU A 126 -7.633 -11.915 -0.278 1.00 0.00 C ATOM 1940 C LEU A 126 -8.830 -12.858 -0.334 1.00 0.00 C ATOM 1941 O LEU A 126 -8.678 -14.049 -0.091 1.00 0.00 O ATOM 1942 CB LEU A 126 -7.768 -10.891 0.864 1.00 0.00 C ATOM 1943 CG LEU A 126 -6.450 -10.236 1.307 1.00 0.00 C ATOM 1944 CD1 LEU A 126 -6.749 -9.039 2.208 1.00 0.00 C ATOM 1945 CD2 LEU A 126 -5.600 -11.214 2.120 1.00 0.00 C ATOM 0 H LEU A 126 -7.605 -10.250 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.726 -12.481 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.458 -10.108 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.218 -11.386 1.725 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.913 -9.932 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.813 -8.576 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.348 -8.312 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.300 -9.374 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.673 -10.727 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.152 -11.525 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.369 -12.088 1.511 1.00 0.00 H new ATOM 1957 N SER A 127 -10.005 -12.342 -0.696 1.00 0.00 N ATOM 1958 CA SER A 127 -11.212 -13.136 -0.870 1.00 0.00 C ATOM 1959 C SER A 127 -11.016 -14.302 -1.850 1.00 0.00 C ATOM 1960 O SER A 127 -11.620 -15.349 -1.653 1.00 0.00 O ATOM 1961 CB SER A 127 -12.356 -12.227 -1.307 1.00 0.00 C ATOM 1962 OG SER A 127 -12.996 -11.690 -0.176 1.00 0.00 O ATOM 0 H SER A 127 -10.142 -11.348 -0.878 1.00 0.00 H new ATOM 0 HA SER A 127 -11.459 -13.592 0.089 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.974 -11.423 -1.936 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.071 -12.790 -1.908 1.00 0.00 H new ATOM 0 HG SER A 127 -13.729 -11.105 -0.462 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.160 -14.173 -2.867 1.00 0.00 N ATOM 1969 CA GLU A 128 -9.788 -15.245 -3.773 1.00 0.00 C ATOM 1970 C GLU A 128 -9.214 -16.441 -3.005 1.00 0.00 C ATOM 1971 O GLU A 128 -9.734 -17.547 -3.137 1.00 0.00 O ATOM 1972 CB GLU A 128 -8.790 -14.675 -4.797 1.00 0.00 C ATOM 1973 CG GLU A 128 -9.175 -14.932 -6.255 1.00 0.00 C ATOM 1974 CD GLU A 128 -8.305 -15.989 -6.943 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -8.134 -17.099 -6.392 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -7.808 -15.718 -8.059 1.00 0.00 O ATOM 0 H GLU A 128 -9.697 -13.290 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.665 -15.621 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -8.700 -13.600 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.807 -15.108 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.217 -15.249 -6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -9.104 -13.997 -6.811 1.00 0.00 H new ATOM 1983 N HIS A 129 -8.173 -16.234 -2.192 1.00 0.00 N ATOM 1984 CA HIS A 129 -7.570 -17.297 -1.383 1.00 0.00 C ATOM 1985 C HIS A 129 -8.428 -17.658 -0.156 1.00 0.00 C ATOM 1986 O HIS A 129 -8.272 -18.741 0.401 1.00 0.00 O ATOM 1987 CB HIS A 129 -6.153 -16.882 -0.947 1.00 0.00 C ATOM 1988 CG HIS A 129 -5.070 -17.249 -1.937 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -4.050 -18.146 -1.701 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -4.916 -16.777 -3.216 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -3.307 -18.229 -2.814 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -3.785 -17.403 -3.767 1.00 0.00 N ATOM 0 H HIS A 129 -7.725 -15.325 -2.077 1.00 0.00 H new ATOM 0 HA HIS A 129 -7.513 -18.191 -2.004 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -6.135 -15.804 -0.788 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -5.928 -17.350 0.011 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -5.549 -16.055 -3.710 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -2.445 -18.869 -2.931 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -3.402 -17.261 -4.702 1.00 0.00 H new ATOM 2000 N ASN A 130 -9.315 -16.766 0.290 1.00 0.00 N ATOM 2001 CA ASN A 130 -10.212 -16.997 1.440 1.00 0.00 C ATOM 2002 C ASN A 130 -11.408 -17.864 1.048 1.00 0.00 C ATOM 2003 O ASN A 130 -12.002 -18.522 1.899 1.00 0.00 O ATOM 2004 CB ASN A 130 -10.726 -15.650 1.951 1.00 0.00 C ATOM 2005 CG ASN A 130 -11.709 -15.652 3.119 1.00 0.00 C ATOM 2006 OD1 ASN A 130 -12.692 -14.925 3.065 1.00 0.00 O ATOM 2007 ND2 ASN A 130 -11.444 -16.324 4.228 1.00 0.00 N ATOM 0 H ASN A 130 -9.437 -15.849 -0.139 1.00 0.00 H new ATOM 0 HA ASN A 130 -9.647 -17.516 2.215 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -9.862 -15.053 2.243 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -11.202 -15.136 1.116 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -12.059 -16.236 5.037 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -10.625 -16.930 4.274 1.00 0.00 H new