USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 875 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 58 THR OG1 : rot -54:sc= 1.33 USER MOD Set 1.2: A 67 HIS : no HD1:sc= -2.22 K(o=-0.88,f=-11!) USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 34 MET CE :methyl -125:sc= -2.13 (180deg=-5.59!) USER MOD Set 3.1: A 22 TYR OH : rot 165:sc= 0.927 USER MOD Set 3.2: A 48 LYS NZ :NH3+ -159:sc= 0.509 (180deg=-0.837) USER MOD Single : A 14 ASN : amide:sc= -0.244 K(o=-0.24,f=-0.85) USER MOD Single : A 16 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-7.2!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.949 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 31:sc= 0.0206 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0159) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -60:sc= -2.62! USER MOD Single : A 71 ASN :FLIP amide:sc= -0.287 F(o=-1.9,f=-0.29) USER MOD Single : A 76 HIS :FLIP no HE2:sc= -0.139 F(o=-0.95,f=-0.14) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -150:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 0:sc= -2.32 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.204 X(o=-0.2,f=0.02) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 154:sc= -1.24 (180deg=-1.5) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -3.479 -9.437 -9.355 1.00 0.00 N ATOM 151 CA ASN A 14 -2.610 -8.504 -8.647 1.00 0.00 C ATOM 152 C ASN A 14 -2.322 -7.273 -9.500 1.00 0.00 C ATOM 153 O ASN A 14 -1.221 -7.092 -10.021 1.00 0.00 O ATOM 154 CB ASN A 14 -1.297 -9.190 -8.262 1.00 0.00 C ATOM 155 CG ASN A 14 -1.495 -10.644 -7.879 1.00 0.00 C ATOM 156 OD1 ASN A 14 -2.545 -11.023 -7.360 1.00 0.00 O ATOM 157 ND2 ASN A 14 -0.484 -11.466 -8.133 1.00 0.00 N ATOM 0 HA ASN A 14 -3.125 -8.183 -7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.600 -9.129 -9.098 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.842 -8.656 -7.428 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.559 -12.455 -7.897 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.368 -11.108 -8.565 1.00 0.00 H new ATOM 164 N PRO A 15 -3.334 -6.405 -9.647 1.00 0.00 N ATOM 165 CA PRO A 15 -3.214 -5.175 -10.436 1.00 0.00 C ATOM 166 C PRO A 15 -2.301 -4.149 -9.774 1.00 0.00 C ATOM 167 O PRO A 15 -1.457 -3.539 -10.431 1.00 0.00 O ATOM 168 CB PRO A 15 -4.651 -4.652 -10.497 1.00 0.00 C ATOM 169 CG PRO A 15 -5.312 -5.216 -9.288 1.00 0.00 C ATOM 170 CD PRO A 15 -4.673 -6.558 -9.055 1.00 0.00 C ATOM 0 HA PRO A 15 -2.771 -5.360 -11.415 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.676 -3.562 -10.490 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.152 -4.976 -11.409 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.173 -4.563 -8.427 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.386 -5.317 -9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.618 -6.798 -7.993 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.235 -7.359 -9.534 1.00 0.00 H new ATOM 178 N HIS A 16 -2.475 -3.963 -8.469 1.00 0.00 N ATOM 179 CA HIS A 16 -1.665 -3.011 -7.718 1.00 0.00 C ATOM 180 C HIS A 16 -0.179 -3.233 -7.984 1.00 0.00 C ATOM 181 O HIS A 16 0.579 -2.279 -8.155 1.00 0.00 O ATOM 182 CB HIS A 16 -1.951 -3.135 -6.221 1.00 0.00 C ATOM 183 CG HIS A 16 -2.112 -4.550 -5.757 1.00 0.00 C ATOM 184 ND1 HIS A 16 -1.061 -5.440 -5.677 1.00 0.00 N ATOM 185 CD2 HIS A 16 -3.209 -5.228 -5.346 1.00 0.00 C ATOM 186 CE1 HIS A 16 -1.506 -6.604 -5.238 1.00 0.00 C ATOM 187 NE2 HIS A 16 -2.806 -6.502 -5.029 1.00 0.00 N ATOM 0 H HIS A 16 -3.169 -4.459 -7.910 1.00 0.00 H new ATOM 0 HA HIS A 16 -1.929 -2.007 -8.049 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.138 -2.669 -5.664 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.858 -2.579 -5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.214 -4.839 -5.280 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.908 -7.489 -5.077 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.412 -7.248 -4.688 1.00 0.00 H new ATOM 196 N GLU A 17 0.230 -4.497 -8.015 1.00 0.00 N ATOM 197 CA GLU A 17 1.625 -4.843 -8.258 1.00 0.00 C ATOM 198 C GLU A 17 2.271 -3.851 -9.221 1.00 0.00 C ATOM 199 O GLU A 17 3.430 -3.470 -9.052 1.00 0.00 O ATOM 200 CB GLU A 17 1.732 -6.261 -8.822 1.00 0.00 C ATOM 201 CG GLU A 17 2.997 -6.990 -8.401 1.00 0.00 C ATOM 202 CD GLU A 17 3.466 -7.992 -9.438 1.00 0.00 C ATOM 203 OE1 GLU A 17 3.003 -9.151 -9.394 1.00 0.00 O ATOM 204 OE2 GLU A 17 4.296 -7.617 -10.293 1.00 0.00 O ATOM 0 H GLU A 17 -0.385 -5.299 -7.875 1.00 0.00 H new ATOM 0 HA GLU A 17 2.155 -4.798 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.866 -6.838 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.695 -6.214 -9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.788 -6.262 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.818 -7.506 -7.458 1.00 0.00 H new ATOM 211 N SER A 18 1.513 -3.437 -10.232 1.00 0.00 N ATOM 212 CA SER A 18 2.013 -2.493 -11.225 1.00 0.00 C ATOM 213 C SER A 18 1.901 -1.060 -10.716 1.00 0.00 C ATOM 214 O SER A 18 2.816 -0.254 -10.889 1.00 0.00 O ATOM 215 CB SER A 18 1.238 -2.643 -12.536 1.00 0.00 C ATOM 216 OG SER A 18 1.797 -3.664 -13.345 1.00 0.00 O ATOM 0 H SER A 18 0.551 -3.740 -10.385 1.00 0.00 H new ATOM 0 HA SER A 18 3.065 -2.715 -11.405 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.195 -2.875 -12.321 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.249 -1.698 -13.079 1.00 0.00 H new ATOM 0 HG SER A 18 1.283 -3.741 -14.176 1.00 0.00 H new ATOM 222 N LYS A 19 0.773 -0.748 -10.087 1.00 0.00 N ATOM 223 CA LYS A 19 0.540 0.588 -9.550 1.00 0.00 C ATOM 224 C LYS A 19 1.760 1.087 -8.784 1.00 0.00 C ATOM 225 O LYS A 19 2.362 0.365 -7.989 1.00 0.00 O ATOM 226 CB LYS A 19 -0.685 0.584 -8.633 1.00 0.00 C ATOM 227 CG LYS A 19 -1.945 0.063 -9.303 1.00 0.00 C ATOM 228 CD LYS A 19 -2.455 1.028 -10.360 1.00 0.00 C ATOM 229 CE LYS A 19 -3.621 0.437 -11.138 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.012 1.297 -12.289 1.00 0.00 N ATOM 0 H LYS A 19 0.005 -1.402 -9.936 1.00 0.00 H new ATOM 0 HA LYS A 19 0.358 1.262 -10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.470 -0.027 -7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.866 1.598 -8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.741 -0.905 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.718 -0.097 -8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.767 1.958 -9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.647 1.277 -11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.350 -0.554 -11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.475 0.311 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.810 0.860 -12.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.295 2.235 -11.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.205 1.397 -12.937 1.00 0.00 H new ATOM 244 N PRO A 20 2.135 2.352 -9.025 1.00 0.00 N ATOM 245 CA PRO A 20 3.285 2.977 -8.365 1.00 0.00 C ATOM 246 C PRO A 20 3.036 3.229 -6.882 1.00 0.00 C ATOM 247 O PRO A 20 3.942 3.093 -6.059 1.00 0.00 O ATOM 248 CB PRO A 20 3.447 4.302 -9.113 1.00 0.00 C ATOM 249 CG PRO A 20 2.090 4.602 -9.650 1.00 0.00 C ATOM 250 CD PRO A 20 1.463 3.271 -9.959 1.00 0.00 C ATOM 0 HA PRO A 20 4.170 2.341 -8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.793 5.093 -8.447 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.180 4.217 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.495 5.154 -8.922 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.153 5.221 -10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.385 3.288 -9.800 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.627 2.981 -10.997 1.00 0.00 H new ATOM 258 N TRP A 21 1.805 3.597 -6.548 1.00 0.00 N ATOM 259 CA TRP A 21 1.437 3.868 -5.163 1.00 0.00 C ATOM 260 C TRP A 21 1.462 2.589 -4.333 1.00 0.00 C ATOM 261 O TRP A 21 1.547 2.636 -3.105 1.00 0.00 O ATOM 262 CB TRP A 21 0.049 4.506 -5.097 1.00 0.00 C ATOM 263 CG TRP A 21 -0.988 3.755 -5.876 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.525 4.110 -7.081 1.00 0.00 C ATOM 265 CD2 TRP A 21 -1.613 2.522 -5.504 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.446 3.172 -7.480 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.518 2.187 -6.530 1.00 0.00 C ATOM 268 CE3 TRP A 21 -1.495 1.667 -4.405 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.300 1.036 -6.486 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.272 0.525 -4.363 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.164 0.217 -5.398 1.00 0.00 C ATOM 0 H TRP A 21 1.044 3.715 -7.217 1.00 0.00 H new ATOM 0 HA TRP A 21 2.168 4.563 -4.749 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.265 4.569 -4.055 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.108 5.527 -5.474 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.264 4.998 -7.638 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -2.988 3.204 -8.343 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.809 1.895 -3.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.990 0.798 -7.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.190 -0.142 -3.517 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.756 -0.684 -5.336 1.00 0.00 H new ATOM 282 N TYR A 22 1.389 1.449 -5.009 1.00 0.00 N ATOM 283 CA TYR A 22 1.401 0.157 -4.333 1.00 0.00 C ATOM 284 C TYR A 22 2.774 -0.132 -3.734 1.00 0.00 C ATOM 285 O TYR A 22 3.777 -0.183 -4.447 1.00 0.00 O ATOM 286 CB TYR A 22 1.013 -0.956 -5.308 1.00 0.00 C ATOM 287 CG TYR A 22 1.249 -2.347 -4.764 1.00 0.00 C ATOM 288 CD1 TYR A 22 0.362 -2.921 -3.862 1.00 0.00 C ATOM 289 CD2 TYR A 22 2.360 -3.087 -5.151 1.00 0.00 C ATOM 290 CE1 TYR A 22 0.573 -4.191 -3.361 1.00 0.00 C ATOM 291 CE2 TYR A 22 2.579 -4.358 -4.657 1.00 0.00 C ATOM 292 CZ TYR A 22 1.683 -4.906 -3.762 1.00 0.00 C ATOM 293 OH TYR A 22 1.898 -6.171 -3.267 1.00 0.00 O ATOM 0 H TYR A 22 1.321 1.393 -6.025 1.00 0.00 H new ATOM 0 HA TYR A 22 0.672 0.192 -3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.041 -0.850 -5.567 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.581 -0.834 -6.230 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.508 -2.364 -3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.064 -2.661 -5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.126 -4.622 -2.660 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.447 -4.920 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 22 2.571 -6.626 -3.815 1.00 0.00 H new ATOM 303 N TYR A 23 2.810 -0.320 -2.420 1.00 0.00 N ATOM 304 CA TYR A 23 4.060 -0.602 -1.722 1.00 0.00 C ATOM 305 C TYR A 23 4.119 -2.061 -1.279 1.00 0.00 C ATOM 306 O TYR A 23 3.176 -2.578 -0.679 1.00 0.00 O ATOM 307 CB TYR A 23 4.210 0.318 -0.510 1.00 0.00 C ATOM 308 CG TYR A 23 4.789 1.673 -0.846 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.159 1.843 -1.010 1.00 0.00 C ATOM 310 CD2 TYR A 23 3.968 2.784 -0.997 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.693 3.080 -1.317 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.494 4.024 -1.305 1.00 0.00 C ATOM 313 CZ TYR A 23 5.856 4.167 -1.464 1.00 0.00 C ATOM 314 OH TYR A 23 6.384 5.401 -1.769 1.00 0.00 O ATOM 0 H TYR A 23 1.989 -0.282 -1.816 1.00 0.00 H new ATOM 0 HA TYR A 23 4.883 -0.418 -2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.234 0.455 -0.045 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.849 -0.168 0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.817 0.994 -0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.901 2.676 -0.871 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.760 3.195 -1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.842 4.877 -1.421 1.00 0.00 H new ATOM 0 HH TYR A 23 5.660 6.058 -1.838 1.00 0.00 H new ATOM 324 N ASP A 24 5.234 -2.718 -1.579 1.00 0.00 N ATOM 325 CA ASP A 24 5.419 -4.117 -1.211 1.00 0.00 C ATOM 326 C ASP A 24 6.510 -4.261 -0.154 1.00 0.00 C ATOM 327 O ASP A 24 6.395 -5.073 0.764 1.00 0.00 O ATOM 328 CB ASP A 24 5.774 -4.949 -2.444 1.00 0.00 C ATOM 329 CG ASP A 24 7.180 -4.677 -2.941 1.00 0.00 C ATOM 330 OD1 ASP A 24 8.116 -5.355 -2.469 1.00 0.00 O ATOM 331 OD2 ASP A 24 7.345 -3.786 -3.800 1.00 0.00 O ATOM 0 H ASP A 24 6.023 -2.305 -2.076 1.00 0.00 H new ATOM 0 HA ASP A 24 4.482 -4.484 -0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.675 -6.008 -2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.062 -4.734 -3.241 1.00 0.00 H new ATOM 336 N ARG A 25 7.568 -3.469 -0.291 1.00 0.00 N ATOM 337 CA ARG A 25 8.680 -3.510 0.650 1.00 0.00 C ATOM 338 C ARG A 25 8.659 -2.293 1.570 1.00 0.00 C ATOM 339 O ARG A 25 9.706 -1.747 1.921 1.00 0.00 O ATOM 340 CB ARG A 25 10.011 -3.570 -0.103 1.00 0.00 C ATOM 341 CG ARG A 25 10.270 -2.355 -0.979 1.00 0.00 C ATOM 342 CD ARG A 25 11.613 -2.455 -1.686 1.00 0.00 C ATOM 343 NE ARG A 25 11.692 -1.562 -2.840 1.00 0.00 N ATOM 344 CZ ARG A 25 12.659 -1.619 -3.748 1.00 0.00 C ATOM 345 NH1 ARG A 25 13.625 -2.521 -3.637 1.00 0.00 N ATOM 346 NH2 ARG A 25 12.662 -0.772 -4.769 1.00 0.00 N ATOM 0 H ARG A 25 7.678 -2.791 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 25 8.574 -4.407 1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.823 -3.667 0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.027 -4.466 -0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.474 -2.262 -1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.245 -1.453 -0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.411 -2.212 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.776 -3.483 -2.011 1.00 0.00 H new ATOM 0 HE ARG A 25 10.964 -0.856 -2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.626 -3.173 -2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.367 -2.563 -4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.921 -0.076 -4.857 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.405 -0.816 -5.466 1.00 0.00 H new ATOM 360 N LEU A 26 7.460 -1.872 1.958 1.00 0.00 N ATOM 361 CA LEU A 26 7.301 -0.719 2.837 1.00 0.00 C ATOM 362 C LEU A 26 6.827 -1.151 4.221 1.00 0.00 C ATOM 363 O LEU A 26 6.231 -2.217 4.380 1.00 0.00 O ATOM 364 CB LEU A 26 6.308 0.275 2.233 1.00 0.00 C ATOM 365 CG LEU A 26 6.280 1.666 2.868 1.00 0.00 C ATOM 366 CD1 LEU A 26 7.508 2.465 2.457 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.007 2.404 2.481 1.00 0.00 C ATOM 0 H LEU A 26 6.584 -2.312 1.678 1.00 0.00 H new ATOM 0 HA LEU A 26 8.272 -0.235 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.535 0.386 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.308 -0.154 2.301 1.00 0.00 H new ATOM 0 HG LEU A 26 6.293 1.550 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.471 3.452 2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.408 1.944 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.526 2.572 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.005 3.392 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.963 2.509 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.140 1.840 2.826 1.00 0.00 H new ATOM 379 N SER A 27 7.094 -0.316 5.220 1.00 0.00 N ATOM 380 CA SER A 27 6.696 -0.612 6.592 1.00 0.00 C ATOM 381 C SER A 27 6.365 0.669 7.350 1.00 0.00 C ATOM 382 O SER A 27 6.822 1.754 6.988 1.00 0.00 O ATOM 383 CB SER A 27 7.809 -1.373 7.315 1.00 0.00 C ATOM 384 OG SER A 27 7.435 -1.679 8.647 1.00 0.00 O ATOM 0 H SER A 27 7.584 0.571 5.105 1.00 0.00 H new ATOM 0 HA SER A 27 5.802 -1.235 6.559 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.034 -2.294 6.776 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.720 -0.775 7.318 1.00 0.00 H new ATOM 0 HG SER A 27 8.162 -2.167 9.087 1.00 0.00 H new ATOM 390 N ARG A 28 5.567 0.536 8.404 1.00 0.00 N ATOM 391 CA ARG A 28 5.172 1.682 9.214 1.00 0.00 C ATOM 392 C ARG A 28 6.376 2.565 9.529 1.00 0.00 C ATOM 393 O ARG A 28 6.246 3.779 9.682 1.00 0.00 O ATOM 394 CB ARG A 28 4.515 1.214 10.514 1.00 0.00 C ATOM 395 CG ARG A 28 5.483 0.552 11.481 1.00 0.00 C ATOM 396 CD ARG A 28 5.565 -0.949 11.248 1.00 0.00 C ATOM 397 NE ARG A 28 6.411 -1.611 12.236 1.00 0.00 N ATOM 398 CZ ARG A 28 5.983 -1.988 13.436 1.00 0.00 C ATOM 399 NH1 ARG A 28 4.725 -1.769 13.793 1.00 0.00 N ATOM 400 NH2 ARG A 28 6.814 -2.585 14.281 1.00 0.00 N ATOM 0 H ARG A 28 5.181 -0.355 8.717 1.00 0.00 H new ATOM 0 HA ARG A 28 4.452 2.268 8.643 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.052 2.069 11.006 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.716 0.512 10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.473 0.994 11.366 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.165 0.745 12.505 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.563 -1.377 11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.957 -1.140 10.249 1.00 0.00 H new ATOM 0 HE ARG A 28 7.384 -1.794 11.992 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.084 -1.310 13.146 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.399 -2.059 14.715 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.782 -2.755 14.010 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.484 -2.874 15.202 1.00 0.00 H new ATOM 414 N GLY A 29 7.549 1.946 9.626 1.00 0.00 N ATOM 415 CA GLY A 29 8.759 2.690 9.923 1.00 0.00 C ATOM 416 C GLY A 29 9.006 3.813 8.935 1.00 0.00 C ATOM 417 O GLY A 29 9.494 4.879 9.308 1.00 0.00 O ATOM 0 H GLY A 29 7.683 0.942 9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.690 3.104 10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.611 2.010 9.916 1.00 0.00 H new ATOM 421 N GLU A 30 8.669 3.573 7.672 1.00 0.00 N ATOM 422 CA GLU A 30 8.861 4.572 6.627 1.00 0.00 C ATOM 423 C GLU A 30 7.531 5.211 6.235 1.00 0.00 C ATOM 424 O GLU A 30 7.385 6.432 6.261 1.00 0.00 O ATOM 425 CB GLU A 30 9.517 3.940 5.399 1.00 0.00 C ATOM 426 CG GLU A 30 10.969 3.546 5.619 1.00 0.00 C ATOM 427 CD GLU A 30 11.773 3.543 4.334 1.00 0.00 C ATOM 428 OE1 GLU A 30 11.556 4.442 3.495 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.620 2.640 4.166 1.00 0.00 O ATOM 0 H GLU A 30 8.262 2.696 7.348 1.00 0.00 H new ATOM 0 HA GLU A 30 9.517 5.349 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.949 3.056 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.462 4.641 4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.426 4.237 6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.008 2.555 6.070 1.00 0.00 H new ATOM 436 N ALA A 31 6.565 4.374 5.871 1.00 0.00 N ATOM 437 CA ALA A 31 5.247 4.855 5.475 1.00 0.00 C ATOM 438 C ALA A 31 4.863 6.109 6.254 1.00 0.00 C ATOM 439 O ALA A 31 4.643 7.169 5.671 1.00 0.00 O ATOM 440 CB ALA A 31 4.205 3.766 5.677 1.00 0.00 C ATOM 0 H ALA A 31 6.670 3.360 5.842 1.00 0.00 H new ATOM 0 HA ALA A 31 5.285 5.114 4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.226 4.139 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.464 2.898 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.178 3.479 6.728 1.00 0.00 H new ATOM 446 N GLU A 32 4.784 5.978 7.575 1.00 0.00 N ATOM 447 CA GLU A 32 4.425 7.101 8.432 1.00 0.00 C ATOM 448 C GLU A 32 5.239 8.341 8.075 1.00 0.00 C ATOM 449 O GLU A 32 4.685 9.369 7.686 1.00 0.00 O ATOM 450 CB GLU A 32 4.645 6.739 9.903 1.00 0.00 C ATOM 451 CG GLU A 32 3.555 5.852 10.481 1.00 0.00 C ATOM 452 CD GLU A 32 3.787 5.521 11.942 1.00 0.00 C ATOM 453 OE1 GLU A 32 4.950 5.257 12.313 1.00 0.00 O ATOM 454 OE2 GLU A 32 2.806 5.525 12.715 1.00 0.00 O ATOM 0 H GLU A 32 4.964 5.107 8.074 1.00 0.00 H new ATOM 0 HA GLU A 32 3.370 7.323 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.605 6.233 10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.704 7.656 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.591 6.350 10.374 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.502 4.927 9.907 1.00 0.00 H new ATOM 461 N ASP A 33 6.556 8.236 8.211 1.00 0.00 N ATOM 462 CA ASP A 33 7.448 9.348 7.902 1.00 0.00 C ATOM 463 C ASP A 33 7.126 9.938 6.533 1.00 0.00 C ATOM 464 O ASP A 33 6.882 11.138 6.406 1.00 0.00 O ATOM 465 CB ASP A 33 8.906 8.886 7.942 1.00 0.00 C ATOM 466 CG ASP A 33 9.855 10.002 8.331 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.794 11.079 7.702 1.00 0.00 O ATOM 468 OD2 ASP A 33 10.661 9.798 9.263 1.00 0.00 O ATOM 0 H ASP A 33 7.030 7.392 8.533 1.00 0.00 H new ATOM 0 HA ASP A 33 7.299 10.122 8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.005 8.065 8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.188 8.497 6.964 1.00 0.00 H new ATOM 473 N MET A 34 7.129 9.088 5.511 1.00 0.00 N ATOM 474 CA MET A 34 6.837 9.527 4.152 1.00 0.00 C ATOM 475 C MET A 34 5.693 10.536 4.140 1.00 0.00 C ATOM 476 O MET A 34 5.865 11.679 3.711 1.00 0.00 O ATOM 477 CB MET A 34 6.482 8.327 3.271 1.00 0.00 C ATOM 478 CG MET A 34 7.655 7.395 3.012 1.00 0.00 C ATOM 479 SD MET A 34 7.552 6.577 1.409 1.00 0.00 S ATOM 480 CE MET A 34 5.941 5.802 1.527 1.00 0.00 C ATOM 0 H MET A 34 7.330 8.092 5.599 1.00 0.00 H new ATOM 0 HA MET A 34 7.729 10.011 3.754 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.679 7.763 3.745 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.098 8.688 2.317 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.584 7.963 3.067 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.695 6.641 3.798 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.037 4.733 1.338 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.534 5.959 2.526 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.271 6.242 0.789 1.00 0.00 H new ATOM 490 N LEU A 35 4.528 10.109 4.612 1.00 0.00 N ATOM 491 CA LEU A 35 3.355 10.976 4.656 1.00 0.00 C ATOM 492 C LEU A 35 3.692 12.314 5.307 1.00 0.00 C ATOM 493 O LEU A 35 3.324 13.373 4.799 1.00 0.00 O ATOM 494 CB LEU A 35 2.220 10.294 5.421 1.00 0.00 C ATOM 495 CG LEU A 35 1.252 9.460 4.582 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.456 10.351 3.642 1.00 0.00 C ATOM 497 CD2 LEU A 35 2.006 8.394 3.800 1.00 0.00 C ATOM 0 H LEU A 35 4.369 9.167 4.970 1.00 0.00 H new ATOM 0 HA LEU A 35 3.032 11.162 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.658 9.649 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.649 11.061 5.944 1.00 0.00 H new ATOM 0 HG LEU A 35 0.554 8.962 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.228 9.740 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.114 11.076 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.138 10.878 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.301 7.810 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.728 8.871 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.530 7.736 4.494 1.00 0.00 H new ATOM 509 N MET A 36 4.395 12.257 6.433 1.00 0.00 N ATOM 510 CA MET A 36 4.783 13.465 7.153 1.00 0.00 C ATOM 511 C MET A 36 5.530 14.428 6.234 1.00 0.00 C ATOM 512 O MET A 36 5.408 15.646 6.366 1.00 0.00 O ATOM 513 CB MET A 36 5.658 13.109 8.356 1.00 0.00 C ATOM 514 CG MET A 36 4.979 12.176 9.346 1.00 0.00 C ATOM 515 SD MET A 36 5.831 12.108 10.933 1.00 0.00 S ATOM 516 CE MET A 36 4.460 11.791 12.041 1.00 0.00 C ATOM 0 H MET A 36 4.708 11.388 6.867 1.00 0.00 H new ATOM 0 HA MET A 36 3.876 13.955 7.506 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.577 12.643 8.001 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.944 14.026 8.871 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.952 12.505 9.503 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.931 11.174 8.921 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.828 11.722 13.065 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.738 12.605 11.969 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.978 10.853 11.765 1.00 0.00 H new ATOM 526 N ARG A 37 6.302 13.874 5.305 1.00 0.00 N ATOM 527 CA ARG A 37 7.069 14.684 4.367 1.00 0.00 C ATOM 528 C ARG A 37 6.153 15.323 3.326 1.00 0.00 C ATOM 529 O ARG A 37 6.241 16.523 3.061 1.00 0.00 O ATOM 530 CB ARG A 37 8.130 13.830 3.672 1.00 0.00 C ATOM 531 CG ARG A 37 9.113 13.179 4.631 1.00 0.00 C ATOM 532 CD ARG A 37 9.953 12.120 3.935 1.00 0.00 C ATOM 533 NE ARG A 37 11.181 12.678 3.375 1.00 0.00 N ATOM 534 CZ ARG A 37 12.161 13.187 4.113 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.057 13.209 5.435 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.248 13.676 3.530 1.00 0.00 N ATOM 0 H ARG A 37 6.413 12.868 5.182 1.00 0.00 H new ATOM 0 HA ARG A 37 7.562 15.477 4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.635 13.053 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.681 14.453 2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.766 13.941 5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.569 12.726 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.204 11.332 4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.368 11.659 3.139 1.00 0.00 H new ATOM 0 HE ARG A 37 11.292 12.677 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.223 12.834 5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.811 13.600 5.999 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.332 13.661 2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.000 14.067 4.098 1.00 0.00 H new ATOM 550 N ILE A 38 5.277 14.515 2.740 1.00 0.00 N ATOM 551 CA ILE A 38 4.346 15.001 1.730 1.00 0.00 C ATOM 552 C ILE A 38 3.606 16.243 2.217 1.00 0.00 C ATOM 553 O ILE A 38 2.717 16.173 3.065 1.00 0.00 O ATOM 554 CB ILE A 38 3.317 13.922 1.346 1.00 0.00 C ATOM 555 CG1 ILE A 38 4.010 12.571 1.153 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.571 14.326 0.083 1.00 0.00 C ATOM 557 CD1 ILE A 38 5.156 12.616 0.166 1.00 0.00 C ATOM 0 H ILE A 38 5.192 13.520 2.947 1.00 0.00 H new ATOM 0 HA ILE A 38 4.939 15.255 0.851 1.00 0.00 H new ATOM 0 HB ILE A 38 2.594 13.826 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.384 12.222 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.276 11.841 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.847 13.553 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.050 15.268 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.280 14.447 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.600 11.625 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.785 12.934 -0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.910 13.322 0.515 1.00 0.00 H new ATOM 569 N PRO A 39 3.980 17.408 1.667 1.00 0.00 N ATOM 570 CA PRO A 39 3.363 18.688 2.028 1.00 0.00 C ATOM 571 C PRO A 39 1.926 18.800 1.528 1.00 0.00 C ATOM 572 O PRO A 39 1.365 19.894 1.465 1.00 0.00 O ATOM 573 CB PRO A 39 4.253 19.720 1.331 1.00 0.00 C ATOM 574 CG PRO A 39 4.860 18.985 0.186 1.00 0.00 C ATOM 575 CD PRO A 39 5.033 17.565 0.649 1.00 0.00 C ATOM 0 HA PRO A 39 3.300 18.820 3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.672 20.577 0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.018 20.103 2.006 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.217 19.033 -0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.818 19.423 -0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.909 16.857 -0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.025 17.397 1.068 1.00 0.00 H new ATOM 583 N ARG A 40 1.337 17.662 1.175 1.00 0.00 N ATOM 584 CA ARG A 40 -0.034 17.634 0.680 1.00 0.00 C ATOM 585 C ARG A 40 -0.953 16.920 1.667 1.00 0.00 C ATOM 586 O ARG A 40 -0.857 15.706 1.853 1.00 0.00 O ATOM 587 CB ARG A 40 -0.093 16.940 -0.682 1.00 0.00 C ATOM 588 CG ARG A 40 0.677 17.670 -1.771 1.00 0.00 C ATOM 589 CD ARG A 40 -0.043 18.935 -2.211 1.00 0.00 C ATOM 590 NE ARG A 40 0.508 19.474 -3.451 1.00 0.00 N ATOM 591 CZ ARG A 40 0.400 20.748 -3.810 1.00 0.00 C ATOM 592 NH1 ARG A 40 -0.234 21.610 -3.027 1.00 0.00 N ATOM 593 NH2 ARG A 40 0.928 21.164 -4.955 1.00 0.00 N ATOM 0 H ARG A 40 1.787 16.748 1.223 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.376 18.663 0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.304 15.930 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.135 16.845 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.672 17.925 -1.406 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.811 17.010 -2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.103 18.720 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.031 19.686 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 40 1.003 18.837 -4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.640 21.295 -2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.315 22.588 -3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.417 20.505 -5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.844 22.143 -5.229 1.00 0.00 H new ATOM 607 N ASP A 41 -1.842 17.680 2.296 1.00 0.00 N ATOM 608 CA ASP A 41 -2.779 17.120 3.263 1.00 0.00 C ATOM 609 C ASP A 41 -3.807 16.230 2.572 1.00 0.00 C ATOM 610 O ASP A 41 -4.761 16.718 1.968 1.00 0.00 O ATOM 611 CB ASP A 41 -3.488 18.240 4.026 1.00 0.00 C ATOM 612 CG ASP A 41 -4.516 18.960 3.175 1.00 0.00 C ATOM 613 OD1 ASP A 41 -4.233 19.207 1.984 1.00 0.00 O ATOM 614 OD2 ASP A 41 -5.604 19.275 3.700 1.00 0.00 O ATOM 0 H ASP A 41 -1.934 18.686 2.154 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.213 16.511 3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.977 17.823 4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.749 18.957 4.382 1.00 0.00 H new ATOM 619 N GLY A 42 -3.603 14.919 2.663 1.00 0.00 N ATOM 620 CA GLY A 42 -4.520 13.981 2.041 1.00 0.00 C ATOM 621 C GLY A 42 -3.805 12.793 1.427 1.00 0.00 C ATOM 622 O GLY A 42 -4.420 11.762 1.156 1.00 0.00 O ATOM 0 H GLY A 42 -2.820 14.490 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.233 13.627 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.093 14.495 1.269 1.00 0.00 H new ATOM 626 N ALA A 43 -2.503 12.939 1.205 1.00 0.00 N ATOM 627 CA ALA A 43 -1.704 11.869 0.619 1.00 0.00 C ATOM 628 C ALA A 43 -1.986 10.536 1.302 1.00 0.00 C ATOM 629 O ALA A 43 -2.287 10.489 2.495 1.00 0.00 O ATOM 630 CB ALA A 43 -0.223 12.208 0.708 1.00 0.00 C ATOM 0 H ALA A 43 -1.979 13.787 1.422 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.982 11.774 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.362 11.401 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.029 13.134 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.060 12.332 1.753 1.00 0.00 H new ATOM 636 N PHE A 44 -1.887 9.452 0.539 1.00 0.00 N ATOM 637 CA PHE A 44 -2.133 8.117 1.071 1.00 0.00 C ATOM 638 C PHE A 44 -1.210 7.093 0.418 1.00 0.00 C ATOM 639 O PHE A 44 -0.535 7.389 -0.569 1.00 0.00 O ATOM 640 CB PHE A 44 -3.594 7.718 0.850 1.00 0.00 C ATOM 641 CG PHE A 44 -3.867 7.181 -0.526 1.00 0.00 C ATOM 642 CD1 PHE A 44 -4.236 8.031 -1.556 1.00 0.00 C ATOM 643 CD2 PHE A 44 -3.754 5.825 -0.789 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.489 7.539 -2.822 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.005 5.327 -2.054 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.372 6.185 -3.072 1.00 0.00 C ATOM 0 H PHE A 44 -1.638 9.472 -0.450 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.927 8.136 2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.872 6.965 1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.230 8.586 1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.327 9.090 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.467 5.150 0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.778 8.212 -3.616 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.914 4.268 -2.246 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.567 5.799 -4.061 1.00 0.00 H new ATOM 656 N LEU A 45 -1.186 5.887 0.975 1.00 0.00 N ATOM 657 CA LEU A 45 -0.346 4.817 0.448 1.00 0.00 C ATOM 658 C LEU A 45 -0.817 3.457 0.952 1.00 0.00 C ATOM 659 O LEU A 45 -1.263 3.327 2.093 1.00 0.00 O ATOM 660 CB LEU A 45 1.113 5.045 0.846 1.00 0.00 C ATOM 661 CG LEU A 45 1.474 4.708 2.294 1.00 0.00 C ATOM 662 CD1 LEU A 45 1.718 3.216 2.450 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.696 5.500 2.737 1.00 0.00 C ATOM 0 H LEU A 45 -1.739 5.626 1.792 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.425 4.828 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.746 4.451 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.359 6.091 0.665 1.00 0.00 H new ATOM 0 HG LEU A 45 0.635 4.986 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.974 2.996 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.816 2.669 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.539 2.912 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.938 5.248 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.542 5.254 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.484 6.567 2.664 1.00 0.00 H new ATOM 675 N ILE A 46 -0.712 2.446 0.096 1.00 0.00 N ATOM 676 CA ILE A 46 -1.124 1.095 0.457 1.00 0.00 C ATOM 677 C ILE A 46 0.067 0.142 0.468 1.00 0.00 C ATOM 678 O ILE A 46 0.457 -0.392 -0.570 1.00 0.00 O ATOM 679 CB ILE A 46 -2.191 0.554 -0.513 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.449 1.422 -0.457 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.524 -0.893 -0.181 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.453 1.103 -1.543 1.00 0.00 C ATOM 0 H ILE A 46 -0.345 2.537 -0.852 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.551 1.152 1.458 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.792 0.591 -1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.925 1.295 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.161 2.470 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.279 -1.261 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.624 -1.502 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.907 -0.954 0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.319 1.757 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.994 1.258 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.770 0.064 -1.452 1.00 0.00 H new ATOM 694 N ARG A 47 0.638 -0.069 1.649 1.00 0.00 N ATOM 695 CA ARG A 47 1.784 -0.958 1.796 1.00 0.00 C ATOM 696 C ARG A 47 1.338 -2.353 2.226 1.00 0.00 C ATOM 697 O ARG A 47 0.312 -2.512 2.887 1.00 0.00 O ATOM 698 CB ARG A 47 2.771 -0.389 2.817 1.00 0.00 C ATOM 699 CG ARG A 47 2.175 -0.207 4.204 1.00 0.00 C ATOM 700 CD ARG A 47 3.066 0.656 5.084 1.00 0.00 C ATOM 701 NE ARG A 47 2.671 0.596 6.488 1.00 0.00 N ATOM 702 CZ ARG A 47 2.825 -0.482 7.249 1.00 0.00 C ATOM 703 NH1 ARG A 47 3.363 -1.583 6.744 1.00 0.00 N ATOM 704 NH2 ARG A 47 2.441 -0.459 8.519 1.00 0.00 N ATOM 0 H ARG A 47 0.326 0.364 2.518 1.00 0.00 H new ATOM 0 HA ARG A 47 2.278 -1.035 0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.633 -1.053 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.137 0.573 2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.190 0.252 4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.034 -1.182 4.672 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.101 0.328 4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.024 1.689 4.739 1.00 0.00 H new ATOM 0 HE ARG A 47 2.254 1.427 6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.660 -1.604 5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.480 -2.409 7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.027 0.387 8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.560 -1.287 9.103 1.00 0.00 H new ATOM 718 N LYS A 48 2.116 -3.360 1.846 1.00 0.00 N ATOM 719 CA LYS A 48 1.803 -4.742 2.192 1.00 0.00 C ATOM 720 C LYS A 48 2.625 -5.202 3.391 1.00 0.00 C ATOM 721 O LYS A 48 3.849 -5.063 3.407 1.00 0.00 O ATOM 722 CB LYS A 48 2.067 -5.661 0.997 1.00 0.00 C ATOM 723 CG LYS A 48 2.006 -7.139 1.341 1.00 0.00 C ATOM 724 CD LYS A 48 1.875 -7.997 0.093 1.00 0.00 C ATOM 725 CE LYS A 48 3.238 -8.374 -0.469 1.00 0.00 C ATOM 726 NZ LYS A 48 3.727 -7.373 -1.457 1.00 0.00 N ATOM 0 H LYS A 48 2.969 -3.246 1.298 1.00 0.00 H new ATOM 0 HA LYS A 48 0.747 -4.794 2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.336 -5.448 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.050 -5.433 0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.905 -7.424 1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.160 -7.325 2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.315 -8.902 0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.305 -7.457 -0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.956 -8.460 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.177 -9.353 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.447 -7.810 -2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.932 -7.045 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.144 -6.564 -0.954 1.00 0.00 H new ATOM 740 N ARG A 49 1.946 -5.751 4.393 1.00 0.00 N ATOM 741 CA ARG A 49 2.614 -6.231 5.596 1.00 0.00 C ATOM 742 C ARG A 49 2.989 -7.704 5.459 1.00 0.00 C ATOM 743 O ARG A 49 2.124 -8.579 5.482 1.00 0.00 O ATOM 744 CB ARG A 49 1.715 -6.035 6.818 1.00 0.00 C ATOM 745 CG ARG A 49 1.817 -4.648 7.433 1.00 0.00 C ATOM 746 CD ARG A 49 0.510 -4.232 8.088 1.00 0.00 C ATOM 747 NE ARG A 49 0.649 -2.992 8.847 1.00 0.00 N ATOM 748 CZ ARG A 49 1.068 -2.944 10.107 1.00 0.00 C ATOM 749 NH1 ARG A 49 1.389 -4.061 10.745 1.00 0.00 N ATOM 750 NH2 ARG A 49 1.169 -1.777 10.730 1.00 0.00 N ATOM 0 H ARG A 49 0.933 -5.874 4.395 1.00 0.00 H new ATOM 0 HA ARG A 49 3.528 -5.652 5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.680 -6.221 6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.975 -6.778 7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.617 -4.635 8.174 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.085 -3.926 6.662 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.255 -4.104 7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.168 -5.027 8.751 1.00 0.00 H new ATOM 0 HE ARG A 49 0.411 -2.115 8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.315 -4.960 10.269 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.710 -4.022 11.712 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.925 -0.915 10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.491 -1.741 11.697 1.00 0.00 H new ATOM 812 N SER A 54 -2.586 -9.700 5.738 1.00 0.00 N ATOM 813 CA SER A 54 -3.355 -8.465 5.824 1.00 0.00 C ATOM 814 C SER A 54 -2.562 -7.290 5.259 1.00 0.00 C ATOM 815 O SER A 54 -1.388 -7.428 4.914 1.00 0.00 O ATOM 816 CB SER A 54 -3.744 -8.181 7.276 1.00 0.00 C ATOM 817 OG SER A 54 -4.603 -9.188 7.781 1.00 0.00 O ATOM 0 HA SER A 54 -4.261 -8.589 5.230 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.846 -8.123 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.238 -7.212 7.340 1.00 0.00 H new ATOM 0 HG SER A 54 -4.394 -10.043 7.350 1.00 0.00 H new ATOM 823 N TYR A 55 -3.212 -6.136 5.167 1.00 0.00 N ATOM 824 CA TYR A 55 -2.569 -4.937 4.642 1.00 0.00 C ATOM 825 C TYR A 55 -2.960 -3.707 5.456 1.00 0.00 C ATOM 826 O TYR A 55 -3.850 -3.769 6.304 1.00 0.00 O ATOM 827 CB TYR A 55 -2.947 -4.731 3.174 1.00 0.00 C ATOM 828 CG TYR A 55 -2.644 -5.926 2.297 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.370 -7.104 2.419 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.631 -5.875 1.347 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.095 -8.197 1.621 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.351 -6.963 0.544 1.00 0.00 C ATOM 833 CZ TYR A 55 -2.085 -8.122 0.685 1.00 0.00 C ATOM 834 OH TYR A 55 -1.809 -9.209 -0.113 1.00 0.00 O ATOM 0 H TYR A 55 -4.183 -6.005 5.449 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.490 -5.072 4.718 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.011 -4.504 3.110 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.412 -3.863 2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.163 -7.166 3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.053 -4.969 1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.668 -9.106 1.729 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.561 -6.907 -0.191 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.071 -8.991 -0.719 1.00 0.00 H new ATOM 844 N ALA A 56 -2.289 -2.592 5.191 1.00 0.00 N ATOM 845 CA ALA A 56 -2.567 -1.347 5.896 1.00 0.00 C ATOM 846 C ALA A 56 -2.429 -0.146 4.966 1.00 0.00 C ATOM 847 O ALA A 56 -1.584 -0.137 4.070 1.00 0.00 O ATOM 848 CB ALA A 56 -1.639 -1.199 7.093 1.00 0.00 C ATOM 0 H ALA A 56 -1.548 -2.525 4.493 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.597 -1.382 6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.858 -0.265 7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.789 -2.035 7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.604 -1.191 6.752 1.00 0.00 H new ATOM 854 N ILE A 57 -3.264 0.864 5.183 1.00 0.00 N ATOM 855 CA ILE A 57 -3.233 2.070 4.364 1.00 0.00 C ATOM 856 C ILE A 57 -2.988 3.309 5.219 1.00 0.00 C ATOM 857 O ILE A 57 -3.768 3.620 6.120 1.00 0.00 O ATOM 858 CB ILE A 57 -4.546 2.251 3.581 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.449 3.464 2.653 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.718 2.405 4.539 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.562 3.534 1.631 1.00 0.00 C ATOM 0 H ILE A 57 -3.970 0.872 5.919 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.411 1.952 3.657 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.713 1.362 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.461 4.373 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.491 3.438 2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.639 2.532 3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.797 1.515 5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.559 3.279 5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.429 4.419 1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.537 2.642 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.523 3.592 2.143 1.00 0.00 H new ATOM 873 N THR A 58 -1.901 4.016 4.928 1.00 0.00 N ATOM 874 CA THR A 58 -1.553 5.222 5.669 1.00 0.00 C ATOM 875 C THR A 58 -2.035 6.472 4.942 1.00 0.00 C ATOM 876 O THR A 58 -2.140 6.487 3.715 1.00 0.00 O ATOM 877 CB THR A 58 -0.032 5.326 5.892 1.00 0.00 C ATOM 878 OG1 THR A 58 0.450 4.143 6.540 1.00 0.00 O ATOM 879 CG2 THR A 58 0.310 6.546 6.733 1.00 0.00 C ATOM 0 H THR A 58 -1.246 3.774 4.184 1.00 0.00 H new ATOM 0 HA THR A 58 -2.050 5.153 6.636 1.00 0.00 H new ATOM 0 HB THR A 58 0.449 5.429 4.919 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.064 3.986 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.389 6.598 6.877 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.032 7.447 6.223 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.182 6.469 7.703 1.00 0.00 H new ATOM 887 N PHE A 59 -2.326 7.520 5.705 1.00 0.00 N ATOM 888 CA PHE A 59 -2.797 8.776 5.133 1.00 0.00 C ATOM 889 C PHE A 59 -2.481 9.948 6.057 1.00 0.00 C ATOM 890 O PHE A 59 -2.163 9.758 7.231 1.00 0.00 O ATOM 891 CB PHE A 59 -4.303 8.709 4.873 1.00 0.00 C ATOM 892 CG PHE A 59 -5.046 7.863 5.867 1.00 0.00 C ATOM 893 CD1 PHE A 59 -5.028 6.481 5.771 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.761 8.450 6.898 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.712 5.700 6.684 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.446 7.674 7.815 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.421 6.298 7.708 1.00 0.00 C ATOM 0 H PHE A 59 -2.244 7.525 6.722 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.278 8.932 4.187 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.712 9.719 4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.473 8.313 3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.473 6.008 4.974 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.784 9.526 6.987 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.692 4.624 6.597 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.000 8.144 8.614 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.955 5.690 8.423 1.00 0.00 H new ATOM 907 N ARG A 60 -2.569 11.159 5.518 1.00 0.00 N ATOM 908 CA ARG A 60 -2.290 12.362 6.293 1.00 0.00 C ATOM 909 C ARG A 60 -3.585 13.016 6.766 1.00 0.00 C ATOM 910 O ARG A 60 -4.401 13.458 5.957 1.00 0.00 O ATOM 911 CB ARG A 60 -1.480 13.356 5.459 1.00 0.00 C ATOM 912 CG ARG A 60 -0.543 14.223 6.284 1.00 0.00 C ATOM 913 CD ARG A 60 0.571 14.809 5.430 1.00 0.00 C ATOM 914 NE ARG A 60 1.319 15.842 6.141 1.00 0.00 N ATOM 915 CZ ARG A 60 0.945 17.116 6.192 1.00 0.00 C ATOM 916 NH1 ARG A 60 -0.163 17.511 5.579 1.00 0.00 N ATOM 917 NH2 ARG A 60 1.678 17.998 6.859 1.00 0.00 N ATOM 0 H ARG A 60 -2.831 11.333 4.548 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.708 12.073 7.168 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.897 12.807 4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.166 14.000 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.108 15.030 6.750 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.111 13.629 7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.251 14.014 5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.146 15.231 4.519 1.00 0.00 H new ATOM 0 HE ARG A 60 2.175 15.571 6.625 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.731 16.836 5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.447 18.490 5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.530 17.698 7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.390 18.976 6.897 1.00 0.00 H new ATOM 931 N ALA A 61 -3.767 13.073 8.082 1.00 0.00 N ATOM 932 CA ALA A 61 -4.961 13.674 8.662 1.00 0.00 C ATOM 933 C ALA A 61 -4.646 15.028 9.288 1.00 0.00 C ATOM 934 O ALA A 61 -4.243 15.107 10.448 1.00 0.00 O ATOM 935 CB ALA A 61 -5.571 12.740 9.698 1.00 0.00 C ATOM 0 H ALA A 61 -3.103 12.710 8.766 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.683 13.833 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.462 13.201 10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.842 11.797 9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.846 12.552 10.490 1.00 0.00 H new ATOM 941 N ARG A 62 -4.832 16.091 8.512 1.00 0.00 N ATOM 942 CA ARG A 62 -4.565 17.442 8.990 1.00 0.00 C ATOM 943 C ARG A 62 -3.179 17.532 9.621 1.00 0.00 C ATOM 944 O ARG A 62 -3.002 18.144 10.673 1.00 0.00 O ATOM 945 CB ARG A 62 -5.627 17.865 10.007 1.00 0.00 C ATOM 946 CG ARG A 62 -6.830 18.552 9.381 1.00 0.00 C ATOM 947 CD ARG A 62 -7.865 17.543 8.909 1.00 0.00 C ATOM 948 NE ARG A 62 -9.217 18.095 8.932 1.00 0.00 N ATOM 949 CZ ARG A 62 -9.658 18.996 8.062 1.00 0.00 C ATOM 950 NH1 ARG A 62 -8.859 19.445 7.105 1.00 0.00 N ATOM 951 NH2 ARG A 62 -10.902 19.450 8.148 1.00 0.00 N ATOM 0 H ARG A 62 -5.167 16.043 7.550 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.601 18.116 8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.966 16.985 10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.173 18.537 10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.283 19.227 10.107 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.504 19.162 8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.622 17.221 7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.824 16.658 9.543 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.858 17.771 9.656 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.902 19.098 7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.201 20.137 6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.520 19.107 8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.240 20.142 7.479 1.00 0.00 H new ATOM 965 N GLY A 63 -2.197 16.916 8.968 1.00 0.00 N ATOM 966 CA GLY A 63 -0.839 16.938 9.480 1.00 0.00 C ATOM 967 C GLY A 63 -0.430 15.615 10.096 1.00 0.00 C ATOM 968 O GLY A 63 0.653 15.100 9.817 1.00 0.00 O ATOM 0 H GLY A 63 -2.318 16.403 8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.153 17.186 8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.748 17.727 10.227 1.00 0.00 H new ATOM 972 N LYS A 64 -1.297 15.063 10.937 1.00 0.00 N ATOM 973 CA LYS A 64 -1.022 13.791 11.596 1.00 0.00 C ATOM 974 C LYS A 64 -1.026 12.645 10.589 1.00 0.00 C ATOM 975 O LYS A 64 -1.365 12.833 9.421 1.00 0.00 O ATOM 976 CB LYS A 64 -2.057 13.526 12.691 1.00 0.00 C ATOM 977 CG LYS A 64 -1.723 14.187 14.017 1.00 0.00 C ATOM 978 CD LYS A 64 -2.791 13.912 15.062 1.00 0.00 C ATOM 979 CE LYS A 64 -2.743 14.933 16.189 1.00 0.00 C ATOM 980 NZ LYS A 64 -3.343 16.234 15.785 1.00 0.00 N ATOM 0 H LYS A 64 -2.197 15.477 11.179 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.032 13.851 12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.030 13.881 12.353 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.145 12.450 12.843 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.760 13.821 14.374 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.622 15.263 13.873 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.775 13.932 14.593 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.653 12.911 15.470 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.275 14.542 17.056 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.708 15.089 16.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.430 16.850 16.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.734 16.693 15.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.285 16.070 15.376 1.00 0.00 H new ATOM 994 N VAL A 65 -0.648 11.457 11.051 1.00 0.00 N ATOM 995 CA VAL A 65 -0.611 10.280 10.191 1.00 0.00 C ATOM 996 C VAL A 65 -1.435 9.142 10.782 1.00 0.00 C ATOM 997 O VAL A 65 -1.114 8.616 11.849 1.00 0.00 O ATOM 998 CB VAL A 65 0.833 9.792 9.970 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.850 8.559 9.079 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.685 10.903 9.373 1.00 0.00 C ATOM 0 H VAL A 65 -0.363 11.284 12.015 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.038 10.575 9.232 1.00 0.00 H new ATOM 0 HB VAL A 65 1.257 9.518 10.936 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.879 8.229 8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.276 7.761 9.551 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.408 8.802 8.113 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.702 10.541 9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.264 11.209 8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.699 11.755 10.052 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.500 8.764 10.082 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.371 7.686 10.535 1.00 0.00 C ATOM 1012 C LYS A 66 -3.268 6.478 9.610 1.00 0.00 C ATOM 1013 O LYS A 66 -2.795 6.589 8.478 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.821 8.169 10.602 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.210 8.743 11.953 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.881 7.699 12.830 1.00 0.00 C ATOM 1017 CE LYS A 66 -4.876 6.998 13.731 1.00 0.00 C ATOM 1018 NZ LYS A 66 -5.404 5.706 14.250 1.00 0.00 N ATOM 0 H LYS A 66 -2.780 9.189 9.198 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.048 7.386 11.532 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.978 8.928 9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.484 7.336 10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.322 9.126 12.456 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.884 9.587 11.810 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.649 8.174 13.440 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.383 6.963 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.955 6.818 13.177 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.622 7.649 14.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.690 5.259 14.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.269 5.880 14.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.622 5.075 13.453 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.715 5.325 10.097 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.675 4.096 9.313 1.00 0.00 C ATOM 1034 C HIS A 67 -5.005 3.353 9.399 1.00 0.00 C ATOM 1035 O HIS A 67 -5.919 3.777 10.107 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.540 3.193 9.797 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.258 3.925 10.049 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -0.494 4.474 9.040 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.607 4.200 11.204 1.00 0.00 C ATOM 1040 CE1 HIS A 67 0.572 5.052 9.564 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.527 4.901 10.875 1.00 0.00 N ATOM 0 H HIS A 67 -4.109 5.216 11.031 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.496 4.364 8.272 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.850 2.694 10.715 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.364 2.415 9.055 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.921 3.920 12.199 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.349 5.562 9.013 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.222 5.249 11.536 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.105 2.244 8.675 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.323 1.442 8.669 1.00 0.00 C ATOM 1052 C CYS A 68 -6.029 0.008 8.240 1.00 0.00 C ATOM 1053 O CYS A 68 -5.573 -0.234 7.122 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.363 2.064 7.734 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.075 1.759 8.228 1.00 0.00 S ATOM 0 H CYS A 68 -4.357 1.880 8.085 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.721 1.423 9.684 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.196 3.140 7.687 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.211 1.673 6.728 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.299 0.479 8.248 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.291 -0.937 9.136 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.051 -2.347 8.851 1.00 0.00 C ATOM 1063 C ARG A 69 -6.983 -2.845 7.750 1.00 0.00 C ATOM 1064 O ARG A 69 -8.109 -2.367 7.613 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.245 -3.185 10.116 1.00 0.00 C ATOM 1066 CG ARG A 69 -5.944 -4.662 9.920 1.00 0.00 C ATOM 1067 CD ARG A 69 -4.452 -4.910 9.761 1.00 0.00 C ATOM 1068 NE ARG A 69 -4.086 -6.282 10.103 1.00 0.00 N ATOM 1069 CZ ARG A 69 -3.832 -6.687 11.342 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -3.905 -5.831 12.352 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -3.505 -7.952 11.574 1.00 0.00 N ATOM 0 H ARG A 69 -6.669 -0.753 10.065 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.022 -2.453 8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.601 -2.793 10.904 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.273 -3.075 10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.319 -5.227 10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.471 -5.028 9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.157 -4.702 8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.900 -4.218 10.397 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.022 -6.966 9.349 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.157 -4.858 12.179 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.709 -6.146 13.302 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.449 -8.614 10.800 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.310 -8.262 12.526 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.506 -3.809 6.969 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.296 -4.372 5.882 1.00 0.00 C ATOM 1087 C ILE A 70 -7.293 -5.896 5.932 1.00 0.00 C ATOM 1088 O ILE A 70 -6.283 -6.514 6.265 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.771 -3.913 4.508 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.735 -2.385 4.436 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.637 -4.481 3.394 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.785 -1.853 3.386 1.00 0.00 C ATOM 0 H ILE A 70 -5.576 -4.216 7.069 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.316 -4.009 6.012 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.756 -4.288 4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.739 -2.015 4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.446 -1.990 5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.254 -4.148 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.616 -5.570 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.662 -4.133 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.811 -0.763 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.773 -2.193 3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.086 -2.219 2.404 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.431 -6.496 5.596 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.559 -7.948 5.602 1.00 0.00 C ATOM 1106 C ASN A 71 -8.682 -8.489 4.181 1.00 0.00 C ATOM 1107 O ASN A 71 -8.860 -7.728 3.229 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.776 -8.370 6.427 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.642 -9.777 6.977 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -10.079 -10.761 6.199 1.00 0.00 O flip ATOM 1111 ND2 ASN A 71 -9.152 -9.977 8.088 1.00 0.00 N flip ATOM 0 H ASN A 71 -9.277 -5.999 5.316 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.659 -8.365 6.054 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.912 -7.671 7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.671 -8.309 5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.829 -9.191 8.652 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.069 -10.929 8.445 1.00 0.00 H new ATOM 1118 N ARG A 72 -8.587 -9.807 4.044 1.00 0.00 N ATOM 1119 CA ARG A 72 -8.687 -10.450 2.740 1.00 0.00 C ATOM 1120 C ARG A 72 -9.524 -11.723 2.823 1.00 0.00 C ATOM 1121 O ARG A 72 -9.180 -12.658 3.547 1.00 0.00 O ATOM 1122 CB ARG A 72 -7.294 -10.778 2.201 1.00 0.00 C ATOM 1123 CG ARG A 72 -7.288 -11.190 0.738 1.00 0.00 C ATOM 1124 CD ARG A 72 -5.883 -11.162 0.157 1.00 0.00 C ATOM 1125 NE ARG A 72 -4.998 -12.117 0.819 1.00 0.00 N ATOM 1126 CZ ARG A 72 -3.913 -12.630 0.249 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -3.581 -12.282 -0.986 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -3.158 -13.494 0.916 1.00 0.00 N ATOM 0 H ARG A 72 -8.441 -10.451 4.821 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.179 -9.756 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.651 -9.907 2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.863 -11.582 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.704 -12.193 0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.932 -10.521 0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.927 -11.387 -0.909 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.470 -10.158 0.254 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.225 -12.406 1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.159 -11.618 -1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.747 -12.678 -1.421 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.411 -13.764 1.867 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.325 -13.888 0.478 1.00 0.00 H new ATOM 1142 N ASP A 73 -10.624 -11.752 2.079 1.00 0.00 N ATOM 1143 CA ASP A 73 -11.511 -12.910 2.068 1.00 0.00 C ATOM 1144 C ASP A 73 -11.402 -13.665 0.747 1.00 0.00 C ATOM 1145 O ASP A 73 -12.301 -13.602 -0.091 1.00 0.00 O ATOM 1146 CB ASP A 73 -12.957 -12.473 2.304 1.00 0.00 C ATOM 1147 CG ASP A 73 -13.914 -13.648 2.363 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -13.825 -14.438 3.326 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -14.752 -13.777 1.447 1.00 0.00 O ATOM 0 H ASP A 73 -10.923 -10.986 1.475 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.207 -13.579 2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.017 -11.912 3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.264 -11.797 1.506 1.00 0.00 H new ATOM 1154 N GLY A 74 -10.294 -14.378 0.568 1.00 0.00 N ATOM 1155 CA GLY A 74 -10.088 -15.133 -0.654 1.00 0.00 C ATOM 1156 C GLY A 74 -9.906 -14.240 -1.865 1.00 0.00 C ATOM 1157 O GLY A 74 -10.880 -13.751 -2.436 1.00 0.00 O ATOM 0 H GLY A 74 -9.536 -14.446 1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.210 -15.769 -0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.940 -15.792 -0.818 1.00 0.00 H new ATOM 1161 N ARG A 75 -8.654 -14.025 -2.256 1.00 0.00 N ATOM 1162 CA ARG A 75 -8.347 -13.181 -3.405 1.00 0.00 C ATOM 1163 C ARG A 75 -9.291 -11.984 -3.468 1.00 0.00 C ATOM 1164 O ARG A 75 -9.663 -11.529 -4.551 1.00 0.00 O ATOM 1165 CB ARG A 75 -8.445 -13.990 -4.699 1.00 0.00 C ATOM 1166 CG ARG A 75 -9.847 -14.498 -4.995 1.00 0.00 C ATOM 1167 CD ARG A 75 -9.898 -15.254 -6.314 1.00 0.00 C ATOM 1168 NE ARG A 75 -11.024 -16.183 -6.369 1.00 0.00 N ATOM 1169 CZ ARG A 75 -12.257 -15.825 -6.708 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -12.522 -14.564 -7.022 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -13.228 -16.729 -6.735 1.00 0.00 N ATOM 0 H ARG A 75 -7.836 -14.423 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.328 -12.812 -3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.109 -13.371 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.765 -14.840 -4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.177 -15.151 -4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.540 -13.658 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.974 -14.543 -7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.967 -15.804 -6.453 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.854 -17.161 -6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.778 -13.867 -7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.470 -14.292 -7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.028 -17.700 -6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.175 -16.453 -6.996 1.00 0.00 H new ATOM 1185 N HIS A 76 -9.676 -11.478 -2.301 1.00 0.00 N ATOM 1186 CA HIS A 76 -10.576 -10.333 -2.223 1.00 0.00 C ATOM 1187 C HIS A 76 -10.117 -9.352 -1.149 1.00 0.00 C ATOM 1188 O HIS A 76 -9.987 -9.712 0.021 1.00 0.00 O ATOM 1189 CB HIS A 76 -12.003 -10.799 -1.928 1.00 0.00 C ATOM 1190 CG HIS A 76 -12.698 -11.389 -3.117 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -12.480 -11.224 -4.442 1.00 0.00 N flip ATOM 1192 CD2 HIS A 76 -13.758 -12.264 -3.010 1.00 0.00 C flip ATOM 1193 CE1 HIS A 76 -13.402 -11.995 -5.106 1.00 0.00 C flip ATOM 1194 NE2 HIS A 76 -14.161 -12.613 -4.219 1.00 0.00 N flip ATOM 0 H HIS A 76 -9.379 -11.843 -1.396 1.00 0.00 H new ATOM 0 HA HIS A 76 -10.559 -9.823 -3.186 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -11.977 -11.539 -1.128 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -12.584 -9.953 -1.560 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -11.764 -10.636 -4.868 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.191 -12.610 -2.083 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -13.492 -12.082 -6.179 1.00 0.00 H new ATOM 1203 N PHE A 77 -9.872 -8.110 -1.555 1.00 0.00 N ATOM 1204 CA PHE A 77 -9.425 -7.077 -0.627 1.00 0.00 C ATOM 1205 C PHE A 77 -10.615 -6.396 0.042 1.00 0.00 C ATOM 1206 O PHE A 77 -11.507 -5.879 -0.629 1.00 0.00 O ATOM 1207 CB PHE A 77 -8.574 -6.038 -1.360 1.00 0.00 C ATOM 1208 CG PHE A 77 -7.169 -6.496 -1.630 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -6.215 -6.475 -0.625 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -6.803 -6.948 -2.887 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -4.921 -6.895 -0.871 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -5.510 -7.370 -3.138 1.00 0.00 C ATOM 1213 CZ PHE A 77 -4.569 -7.344 -2.128 1.00 0.00 C ATOM 0 H PHE A 77 -9.975 -7.795 -2.520 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.820 -7.553 0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.054 -5.789 -2.306 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -8.542 -5.123 -0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.485 -6.127 0.361 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.536 -6.971 -3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.186 -6.872 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.237 -7.719 -4.123 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.559 -7.674 -2.321 1.00 0.00 H new ATOM 1223 N VAL A 78 -10.620 -6.401 1.372 1.00 0.00 N ATOM 1224 CA VAL A 78 -11.699 -5.783 2.134 1.00 0.00 C ATOM 1225 C VAL A 78 -11.149 -4.907 3.253 1.00 0.00 C ATOM 1226 O VAL A 78 -10.274 -5.326 4.012 1.00 0.00 O ATOM 1227 CB VAL A 78 -12.636 -6.844 2.741 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -13.662 -6.191 3.654 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -13.319 -7.643 1.641 1.00 0.00 C ATOM 0 H VAL A 78 -9.890 -6.826 1.943 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.265 -5.165 1.437 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.039 -7.532 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.315 -6.956 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.150 -5.668 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.258 -5.480 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.977 -8.388 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.904 -6.971 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.565 -8.143 1.033 1.00 0.00 H new ATOM 1239 N LEU A 79 -11.667 -3.687 3.351 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.229 -2.750 4.379 1.00 0.00 C ATOM 1241 C LEU A 79 -11.454 -3.326 5.774 1.00 0.00 C ATOM 1242 O LEU A 79 -10.549 -3.333 6.607 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.974 -1.422 4.238 1.00 0.00 C ATOM 1244 CG LEU A 79 -11.218 -0.175 4.697 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -10.821 -0.300 6.160 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -9.991 0.055 3.827 1.00 0.00 C ATOM 0 H LEU A 79 -12.391 -3.324 2.731 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.161 -2.577 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.247 -1.291 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.903 -1.488 4.804 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.878 0.686 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.284 0.597 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.716 -0.416 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.178 -1.171 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.465 0.947 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.328 -0.807 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.300 0.190 2.791 1.00 0.00 H new ATOM 1258 N GLY A 80 -12.667 -3.811 6.019 1.00 0.00 N ATOM 1259 CA GLY A 80 -12.989 -4.385 7.313 1.00 0.00 C ATOM 1260 C GLY A 80 -14.260 -5.211 7.281 1.00 0.00 C ATOM 1261 O GLY A 80 -15.246 -4.874 7.938 1.00 0.00 O ATOM 0 H GLY A 80 -13.433 -3.817 5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.161 -5.011 7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.098 -3.585 8.045 1.00 0.00 H new ATOM 1265 N THR A 81 -14.240 -6.296 6.513 1.00 0.00 N ATOM 1266 CA THR A 81 -15.399 -7.171 6.396 1.00 0.00 C ATOM 1267 C THR A 81 -16.637 -6.389 5.970 1.00 0.00 C ATOM 1268 O THR A 81 -17.753 -6.702 6.384 1.00 0.00 O ATOM 1269 CB THR A 81 -15.695 -7.894 7.724 1.00 0.00 C ATOM 1270 OG1 THR A 81 -14.484 -8.431 8.269 1.00 0.00 O ATOM 1271 CG2 THR A 81 -16.704 -9.013 7.518 1.00 0.00 C ATOM 0 H THR A 81 -13.433 -6.589 5.963 1.00 0.00 H new ATOM 0 HA THR A 81 -15.159 -7.912 5.633 1.00 0.00 H new ATOM 0 HB THR A 81 -16.117 -7.170 8.421 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.680 -8.888 9.114 1.00 0.00 H new ATOM 0 HG21 THR A 81 -16.897 -9.509 8.469 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.634 -8.597 7.130 1.00 0.00 H new ATOM 0 HG23 THR A 81 -16.305 -9.736 6.807 1.00 0.00 H new ATOM 1279 N SER A 82 -16.431 -5.372 5.140 1.00 0.00 N ATOM 1280 CA SER A 82 -17.531 -4.543 4.660 1.00 0.00 C ATOM 1281 C SER A 82 -17.415 -4.302 3.158 1.00 0.00 C ATOM 1282 O SER A 82 -18.258 -4.746 2.380 1.00 0.00 O ATOM 1283 CB SER A 82 -17.551 -3.205 5.402 1.00 0.00 C ATOM 1284 OG SER A 82 -18.644 -2.406 4.985 1.00 0.00 O ATOM 0 H SER A 82 -15.513 -5.102 4.786 1.00 0.00 H new ATOM 0 HA SER A 82 -18.464 -5.073 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 82 -17.615 -3.382 6.476 1.00 0.00 H new ATOM 0 HB3 SER A 82 -16.617 -2.672 5.222 1.00 0.00 H new ATOM 0 HG SER A 82 -18.635 -1.558 5.475 1.00 0.00 H new ATOM 1290 N ALA A 83 -16.363 -3.596 2.758 1.00 0.00 N ATOM 1291 CA ALA A 83 -16.134 -3.297 1.350 1.00 0.00 C ATOM 1292 C ALA A 83 -15.517 -4.491 0.629 1.00 0.00 C ATOM 1293 O ALA A 83 -14.415 -4.928 0.962 1.00 0.00 O ATOM 1294 CB ALA A 83 -15.240 -2.074 1.208 1.00 0.00 C ATOM 0 H ALA A 83 -15.656 -3.220 3.389 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.098 -3.084 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.078 -1.863 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.719 -1.216 1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.282 -2.266 1.691 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.234 -5.014 -0.359 1.00 0.00 N ATOM 1301 CA TYR A 84 -15.758 -6.160 -1.126 1.00 0.00 C ATOM 1302 C TYR A 84 -15.276 -5.729 -2.507 1.00 0.00 C ATOM 1303 O TYR A 84 -16.078 -5.449 -3.398 1.00 0.00 O ATOM 1304 CB TYR A 84 -16.868 -7.204 -1.263 1.00 0.00 C ATOM 1305 CG TYR A 84 -16.897 -8.208 -0.134 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -17.243 -7.824 1.156 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -16.579 -9.543 -0.356 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -17.271 -8.739 2.191 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -16.605 -10.465 0.672 1.00 0.00 C ATOM 1310 CZ TYR A 84 -16.951 -10.057 1.944 1.00 0.00 C ATOM 1311 OH TYR A 84 -16.979 -10.972 2.972 1.00 0.00 O ATOM 0 H TYR A 84 -17.147 -4.663 -0.648 1.00 0.00 H new ATOM 0 HA TYR A 84 -14.918 -6.601 -0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -17.831 -6.695 -1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.742 -7.735 -2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -17.494 -6.792 1.353 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.307 -9.865 -1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -17.542 -8.423 3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.356 -11.499 0.482 1.00 0.00 H new ATOM 0 HH TYR A 84 -16.729 -11.856 2.630 1.00 0.00 H new ATOM 1321 N PHE A 85 -13.959 -5.679 -2.678 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.367 -5.282 -3.950 1.00 0.00 C ATOM 1323 C PHE A 85 -12.401 -6.349 -4.457 1.00 0.00 C ATOM 1324 O PHE A 85 -11.507 -6.785 -3.732 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.638 -3.945 -3.803 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.552 -2.795 -3.489 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.464 -2.342 -4.429 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -13.499 -2.168 -2.255 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -15.305 -1.283 -4.143 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.338 -1.109 -1.964 1.00 0.00 C ATOM 1331 CZ PHE A 85 -15.243 -0.667 -2.909 1.00 0.00 C ATOM 0 H PHE A 85 -13.281 -5.909 -1.951 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.171 -5.170 -4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.892 -4.032 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.101 -3.730 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -14.518 -2.821 -5.395 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -12.794 -2.511 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -16.010 -0.938 -4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.286 -0.628 -0.999 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.901 0.159 -2.683 1.00 0.00 H new ATOM 1341 N GLU A 86 -12.588 -6.764 -5.706 1.00 0.00 N ATOM 1342 CA GLU A 86 -11.734 -7.780 -6.309 1.00 0.00 C ATOM 1343 C GLU A 86 -10.260 -7.427 -6.131 1.00 0.00 C ATOM 1344 O GLU A 86 -9.428 -8.299 -5.879 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.057 -7.932 -7.796 1.00 0.00 C ATOM 1346 CG GLU A 86 -11.707 -9.300 -8.358 1.00 0.00 C ATOM 1347 CD GLU A 86 -12.522 -9.651 -9.588 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -13.667 -10.122 -9.426 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -12.014 -9.456 -10.712 1.00 0.00 O ATOM 0 H GLU A 86 -13.323 -6.412 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.927 -8.727 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.120 -7.747 -7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.517 -7.169 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.647 -9.325 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.870 -10.057 -7.591 1.00 0.00 H new ATOM 1356 N SER A 87 -9.944 -6.143 -6.264 1.00 0.00 N ATOM 1357 CA SER A 87 -8.571 -5.674 -6.122 1.00 0.00 C ATOM 1358 C SER A 87 -8.524 -4.352 -5.363 1.00 0.00 C ATOM 1359 O SER A 87 -9.516 -3.625 -5.296 1.00 0.00 O ATOM 1360 CB SER A 87 -7.922 -5.510 -7.498 1.00 0.00 C ATOM 1361 OG SER A 87 -8.746 -4.747 -8.362 1.00 0.00 O ATOM 0 H SER A 87 -10.621 -5.408 -6.470 1.00 0.00 H new ATOM 0 HA SER A 87 -8.015 -6.419 -5.552 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.953 -5.023 -7.391 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.739 -6.491 -7.937 1.00 0.00 H new ATOM 0 HG SER A 87 -8.599 -5.031 -9.289 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.363 -4.045 -4.793 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.185 -2.810 -4.038 1.00 0.00 C ATOM 1369 C LEU A 88 -7.523 -1.594 -4.895 1.00 0.00 C ATOM 1370 O LEU A 88 -8.099 -0.621 -4.410 1.00 0.00 O ATOM 1371 CB LEU A 88 -5.746 -2.705 -3.528 1.00 0.00 C ATOM 1372 CG LEU A 88 -5.358 -3.672 -2.409 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -3.854 -3.899 -2.398 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -5.830 -3.146 -1.062 1.00 0.00 C ATOM 0 H LEU A 88 -6.532 -4.634 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.866 -2.832 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.071 -2.865 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.580 -1.687 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.848 -4.628 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.596 -4.590 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.543 -4.321 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.344 -2.949 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.545 -3.847 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.369 -2.177 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.914 -3.036 -1.074 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.163 -1.659 -6.173 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.431 -0.565 -7.098 1.00 0.00 C ATOM 1388 C VAL A 89 -8.869 -0.077 -6.971 1.00 0.00 C ATOM 1389 O VAL A 89 -9.115 1.110 -6.756 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.171 -0.987 -8.557 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.444 0.171 -9.505 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.747 -1.496 -8.718 1.00 0.00 C ATOM 0 H VAL A 89 -6.685 -2.457 -6.591 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.751 0.245 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.853 -1.799 -8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.255 -0.146 -10.531 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.484 0.484 -9.408 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.789 1.006 -9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.581 -1.790 -9.754 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.046 -0.707 -8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.593 -2.357 -8.068 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.816 -1.000 -7.103 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.231 -0.663 -7.002 1.00 0.00 C ATOM 1404 C GLU A 90 -11.528 0.052 -5.687 1.00 0.00 C ATOM 1405 O GLU A 90 -12.200 1.083 -5.666 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.088 -1.926 -7.114 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.245 -2.431 -8.538 1.00 0.00 C ATOM 1408 CD GLU A 90 -13.321 -1.687 -9.306 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -14.511 -1.841 -8.961 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -12.972 -0.950 -10.252 1.00 0.00 O ATOM 0 H GLU A 90 -9.629 -1.987 -7.280 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.478 0.009 -7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.642 -2.713 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.075 -1.723 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.295 -2.330 -9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.487 -3.494 -8.518 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.022 -0.505 -4.591 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.233 0.078 -3.271 1.00 0.00 C ATOM 1419 C LEU A 91 -10.728 1.517 -3.224 1.00 0.00 C ATOM 1420 O LEU A 91 -11.338 2.380 -2.592 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.524 -0.758 -2.204 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.870 -0.426 -0.752 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.656 -1.641 0.139 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -10.039 0.750 -0.261 1.00 0.00 C ATOM 0 H LEU A 91 -10.464 -1.359 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.304 0.082 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.756 -1.808 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.448 -0.642 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.922 -0.146 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.907 -1.386 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.295 -2.457 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.612 -1.951 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.299 0.972 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.980 0.499 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.242 1.623 -0.881 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.611 1.769 -3.898 1.00 0.00 N ATOM 1437 CA VAL A 92 -9.026 3.104 -3.936 1.00 0.00 C ATOM 1438 C VAL A 92 -9.932 4.080 -4.678 1.00 0.00 C ATOM 1439 O VAL A 92 -10.296 5.130 -4.149 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.641 3.091 -4.612 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -7.090 4.504 -4.728 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.682 2.197 -3.841 1.00 0.00 C ATOM 0 H VAL A 92 -9.093 1.066 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.915 3.430 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.750 2.686 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.112 4.475 -5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.769 5.111 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.994 4.940 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.709 2.199 -4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.576 2.570 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.073 1.180 -3.816 1.00 0.00 H new ATOM 1452 N SER A 93 -10.292 3.727 -5.908 1.00 0.00 N ATOM 1453 CA SER A 93 -11.154 4.573 -6.725 1.00 0.00 C ATOM 1454 C SER A 93 -12.496 4.806 -6.038 1.00 0.00 C ATOM 1455 O SER A 93 -13.017 5.922 -6.031 1.00 0.00 O ATOM 1456 CB SER A 93 -11.375 3.937 -8.099 1.00 0.00 C ATOM 1457 OG SER A 93 -10.383 4.357 -9.020 1.00 0.00 O ATOM 0 H SER A 93 -10.000 2.861 -6.361 1.00 0.00 H new ATOM 0 HA SER A 93 -10.660 5.536 -6.854 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.355 2.851 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.362 4.207 -8.474 1.00 0.00 H new ATOM 0 HG SER A 93 -10.545 3.936 -9.890 1.00 0.00 H new ATOM 1463 N TYR A 94 -13.050 3.746 -5.460 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.332 3.833 -4.772 1.00 0.00 C ATOM 1465 C TYR A 94 -14.243 4.767 -3.569 1.00 0.00 C ATOM 1466 O TYR A 94 -15.142 5.572 -3.326 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.788 2.444 -4.321 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.163 2.432 -3.692 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -16.344 2.804 -2.365 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -17.280 2.049 -4.423 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -17.598 2.795 -1.786 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.538 2.037 -3.852 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.692 2.411 -2.534 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.943 2.400 -1.961 1.00 0.00 O ATOM 0 H TYR A 94 -12.631 2.816 -5.454 1.00 0.00 H new ATOM 0 HA TYR A 94 -15.063 4.239 -5.471 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.785 1.773 -5.180 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -14.067 2.049 -3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.490 3.105 -1.777 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -17.163 1.755 -5.456 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -17.722 3.087 -0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.396 1.736 -4.435 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.603 2.106 -2.623 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.152 4.653 -2.820 1.00 0.00 N ATOM 1485 CA TYR A 95 -12.944 5.485 -1.641 1.00 0.00 C ATOM 1486 C TYR A 95 -12.709 6.940 -2.036 1.00 0.00 C ATOM 1487 O TYR A 95 -13.224 7.858 -1.398 1.00 0.00 O ATOM 1488 CB TYR A 95 -11.756 4.967 -0.829 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.111 3.835 0.108 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -12.897 2.772 -0.321 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -11.659 3.826 1.422 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.224 1.736 0.531 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -11.980 2.793 2.281 1.00 0.00 C ATOM 1494 CZ TYR A 95 -12.763 1.750 1.831 1.00 0.00 C ATOM 1495 OH TYR A 95 -13.085 0.719 2.683 1.00 0.00 O ATOM 0 H TYR A 95 -12.398 3.992 -3.008 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.844 5.435 -1.028 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.978 4.630 -1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.337 5.789 -0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.258 2.756 -1.339 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.046 4.641 1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -13.838 0.919 0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -11.620 2.802 3.299 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.642 0.066 2.210 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.929 7.141 -3.093 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.626 8.484 -3.573 1.00 0.00 C ATOM 1507 C GLU A 96 -12.826 9.409 -3.397 1.00 0.00 C ATOM 1508 O GLU A 96 -12.686 10.550 -2.954 1.00 0.00 O ATOM 1509 CB GLU A 96 -11.213 8.442 -5.046 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.746 8.108 -5.258 1.00 0.00 C ATOM 1511 CD GLU A 96 -9.200 8.675 -6.554 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -9.817 8.435 -7.612 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -8.155 9.358 -6.510 1.00 0.00 O ATOM 0 H GLU A 96 -11.496 6.392 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.798 8.875 -2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.824 7.703 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.426 9.409 -5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.164 8.497 -4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.620 7.025 -5.258 1.00 0.00 H new ATOM 1520 N LYS A 97 -14.007 8.910 -3.746 1.00 0.00 N ATOM 1521 CA LYS A 97 -15.233 9.690 -3.626 1.00 0.00 C ATOM 1522 C LYS A 97 -15.635 9.850 -2.164 1.00 0.00 C ATOM 1523 O LYS A 97 -15.904 10.960 -1.702 1.00 0.00 O ATOM 1524 CB LYS A 97 -16.366 9.019 -4.407 1.00 0.00 C ATOM 1525 CG LYS A 97 -16.160 9.034 -5.912 1.00 0.00 C ATOM 1526 CD LYS A 97 -16.574 10.364 -6.519 1.00 0.00 C ATOM 1527 CE LYS A 97 -15.382 11.292 -6.693 1.00 0.00 C ATOM 1528 NZ LYS A 97 -14.760 11.150 -8.039 1.00 0.00 N ATOM 0 H LYS A 97 -14.141 7.968 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.047 10.680 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.464 7.986 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.305 9.521 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.111 8.841 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.738 8.230 -6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.047 10.192 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.318 10.841 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.701 12.324 -6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.639 11.077 -5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.951 11.799 -8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.432 10.171 -8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.461 11.380 -8.772 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.672 8.736 -1.439 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.040 8.755 -0.028 1.00 0.00 C ATOM 1544 C HIS A 98 -14.879 9.251 0.829 1.00 0.00 C ATOM 1545 O HIS A 98 -13.790 9.518 0.322 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.465 7.359 0.428 1.00 0.00 C ATOM 1547 CG HIS A 98 -17.656 6.825 -0.307 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -18.895 6.671 0.278 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -17.793 6.412 -1.589 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -19.742 6.183 -0.611 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -19.098 6.017 -1.752 1.00 0.00 N ATOM 0 H HIS A 98 -15.452 7.810 -1.805 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.879 9.441 0.095 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -15.629 6.672 0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -16.689 7.387 1.494 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -17.020 6.396 -2.343 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -20.784 5.958 -0.435 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -19.504 5.654 -2.614 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.120 9.372 2.130 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.094 9.835 3.057 1.00 0.00 C ATOM 1562 C ALA A 99 -13.624 8.703 3.965 1.00 0.00 C ATOM 1563 O ALA A 99 -14.418 8.107 4.693 1.00 0.00 O ATOM 1564 CB ALA A 99 -14.619 10.996 3.888 1.00 0.00 C ATOM 0 H ALA A 99 -16.016 9.156 2.566 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.239 10.177 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.843 11.332 4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.900 11.817 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.491 10.672 4.456 1.00 0.00 H new ATOM 1570 N LEU A 100 -12.329 8.412 3.915 1.00 0.00 N ATOM 1571 CA LEU A 100 -11.752 7.350 4.733 1.00 0.00 C ATOM 1572 C LEU A 100 -11.558 7.816 6.173 1.00 0.00 C ATOM 1573 O LEU A 100 -11.910 7.109 7.117 1.00 0.00 O ATOM 1574 CB LEU A 100 -10.413 6.898 4.147 1.00 0.00 C ATOM 1575 CG LEU A 100 -9.511 6.089 5.079 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -10.006 4.655 5.189 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.071 6.121 4.588 1.00 0.00 C ATOM 0 H LEU A 100 -11.659 8.896 3.317 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.445 6.508 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.612 6.300 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.865 7.782 3.821 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.546 6.541 6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.352 4.094 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.021 4.650 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.001 4.192 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.443 5.540 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.018 5.694 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.718 7.152 4.562 1.00 0.00 H new ATOM 1589 N TYR A 101 -10.997 9.010 6.332 1.00 0.00 N ATOM 1590 CA TYR A 101 -10.757 9.570 7.656 1.00 0.00 C ATOM 1591 C TYR A 101 -11.545 10.862 7.853 1.00 0.00 C ATOM 1592 O TYR A 101 -12.195 11.352 6.929 1.00 0.00 O ATOM 1593 CB TYR A 101 -9.263 9.835 7.857 1.00 0.00 C ATOM 1594 CG TYR A 101 -8.876 10.053 9.302 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -8.711 8.978 10.167 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -8.674 11.333 9.802 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -8.357 9.172 11.488 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -8.319 11.537 11.122 1.00 0.00 C ATOM 1599 CZ TYR A 101 -8.163 10.453 11.961 1.00 0.00 C ATOM 1600 OH TYR A 101 -7.809 10.651 13.276 1.00 0.00 O ATOM 0 H TYR A 101 -10.700 9.608 5.561 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.094 8.844 8.396 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -8.697 8.992 7.461 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -8.977 10.712 7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -8.862 7.974 9.800 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.796 12.184 9.148 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.233 8.325 12.147 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.165 12.539 11.494 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.710 11.611 13.447 1.00 0.00 H new ATOM 1610 N ARG A 102 -11.481 11.408 9.063 1.00 0.00 N ATOM 1611 CA ARG A 102 -12.188 12.642 9.382 1.00 0.00 C ATOM 1612 C ARG A 102 -12.087 13.640 8.232 1.00 0.00 C ATOM 1613 O ARG A 102 -11.008 14.153 7.934 1.00 0.00 O ATOM 1614 CB ARG A 102 -11.623 13.262 10.661 1.00 0.00 C ATOM 1615 CG ARG A 102 -12.648 14.050 11.461 1.00 0.00 C ATOM 1616 CD ARG A 102 -11.981 15.073 12.367 1.00 0.00 C ATOM 1617 NE ARG A 102 -12.804 15.392 13.531 1.00 0.00 N ATOM 1618 CZ ARG A 102 -12.312 15.864 14.671 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -11.009 16.070 14.800 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -13.125 16.130 15.685 1.00 0.00 N ATOM 0 H ARG A 102 -10.947 11.015 9.838 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.239 12.399 9.538 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.215 12.470 11.289 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.794 13.920 10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.331 14.557 10.780 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.246 13.365 12.062 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.017 14.689 12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.784 15.984 11.802 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.811 15.244 13.465 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.381 15.866 14.023 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -10.634 16.433 15.677 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.128 15.972 15.589 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.747 16.492 16.560 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.218 13.910 7.590 1.00 0.00 N ATOM 1635 CA LYS A 103 -13.259 14.847 6.473 1.00 0.00 C ATOM 1636 C LYS A 103 -11.965 14.790 5.667 1.00 0.00 C ATOM 1637 O LYS A 103 -11.398 15.823 5.313 1.00 0.00 O ATOM 1638 CB LYS A 103 -13.492 16.271 6.983 1.00 0.00 C ATOM 1639 CG LYS A 103 -14.961 16.630 7.135 1.00 0.00 C ATOM 1640 CD LYS A 103 -15.138 18.063 7.606 1.00 0.00 C ATOM 1641 CE LYS A 103 -14.897 19.055 6.479 1.00 0.00 C ATOM 1642 NZ LYS A 103 -14.505 20.396 6.994 1.00 0.00 N ATOM 0 H LYS A 103 -14.119 13.493 7.824 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.085 14.561 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.996 16.389 7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.024 16.975 6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -15.470 16.494 6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.431 15.951 7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -16.146 18.196 7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.447 18.266 8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.114 18.675 5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.801 19.147 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.350 21.043 6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.263 20.770 7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.628 20.313 7.547 1.00 0.00 H new ATOM 1656 N MET A 104 -11.505 13.577 5.381 1.00 0.00 N ATOM 1657 CA MET A 104 -10.279 13.386 4.614 1.00 0.00 C ATOM 1658 C MET A 104 -10.494 12.385 3.484 1.00 0.00 C ATOM 1659 O MET A 104 -10.897 11.245 3.721 1.00 0.00 O ATOM 1660 CB MET A 104 -9.150 12.906 5.529 1.00 0.00 C ATOM 1661 CG MET A 104 -7.761 13.197 4.983 1.00 0.00 C ATOM 1662 SD MET A 104 -7.503 12.506 3.338 1.00 0.00 S ATOM 1663 CE MET A 104 -6.432 11.121 3.716 1.00 0.00 C ATOM 0 H MET A 104 -11.962 12.712 5.668 1.00 0.00 H new ATOM 0 HA MET A 104 -10.000 14.345 4.177 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.256 13.382 6.504 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.252 11.832 5.686 1.00 0.00 H new ATOM 0 HG2 MET A 104 -7.607 14.276 4.948 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.014 12.790 5.665 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.547 10.353 2.951 1.00 0.00 H new ATOM 0 HE2 MET A 104 -5.396 11.458 3.739 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.701 10.708 4.688 1.00 0.00 H new ATOM 1673 N ARG A 105 -10.224 12.817 2.257 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.390 11.958 1.091 1.00 0.00 C ATOM 1675 C ARG A 105 -9.073 11.804 0.337 1.00 0.00 C ATOM 1676 O ARG A 105 -8.185 12.652 0.437 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.460 12.529 0.158 1.00 0.00 C ATOM 1678 CG ARG A 105 -12.805 12.744 0.833 1.00 0.00 C ATOM 1679 CD ARG A 105 -13.902 13.015 -0.184 1.00 0.00 C ATOM 1680 NE ARG A 105 -14.044 14.441 -0.468 1.00 0.00 N ATOM 1681 CZ ARG A 105 -14.558 14.918 -1.596 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -14.975 14.087 -2.542 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -14.654 16.228 -1.781 1.00 0.00 N ATOM 0 H ARG A 105 -9.889 13.757 2.044 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.707 10.975 1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.109 13.479 -0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.591 11.853 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.063 11.864 1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.735 13.582 1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.680 12.482 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.848 12.624 0.190 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.731 15.107 0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -14.901 13.079 -2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -15.369 14.456 -3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.333 16.870 -1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.049 16.593 -2.648 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.952 10.717 -0.418 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.743 10.451 -1.189 1.00 0.00 C ATOM 1699 C LEU A 106 -7.649 11.383 -2.393 1.00 0.00 C ATOM 1700 O LEU A 106 -8.504 11.359 -3.277 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.721 8.994 -1.654 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.074 7.947 -0.598 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -8.331 6.597 -1.250 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -6.965 7.839 0.438 1.00 0.00 C ATOM 0 H LEU A 106 -9.677 10.006 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.883 10.633 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.416 8.889 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.726 8.771 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.986 8.262 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.581 5.864 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.160 6.684 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.437 6.274 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.234 7.089 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.036 7.547 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.829 8.803 0.928 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.602 12.202 -2.420 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.395 13.141 -3.516 1.00 0.00 C ATOM 1718 C ARG A 107 -5.118 12.810 -4.282 1.00 0.00 C ATOM 1719 O ARG A 107 -5.114 12.766 -5.513 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.326 14.573 -2.982 1.00 0.00 C ATOM 1721 CG ARG A 107 -7.542 14.978 -2.165 1.00 0.00 C ATOM 1722 CD ARG A 107 -7.396 16.386 -1.609 1.00 0.00 C ATOM 1723 NE ARG A 107 -8.217 16.592 -0.419 1.00 0.00 N ATOM 1724 CZ ARG A 107 -9.544 16.625 -0.439 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -10.198 16.466 -1.581 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -10.221 16.818 0.686 1.00 0.00 N ATOM 0 H ARG A 107 -5.885 12.234 -1.696 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.240 13.055 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.433 14.679 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.218 15.260 -3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.435 14.922 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.681 14.274 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.350 16.573 -1.365 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.679 17.109 -2.374 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.745 16.717 0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.682 16.318 -2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.218 16.492 -1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.722 16.941 1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.241 16.843 0.670 1.00 0.00 H new ATOM 1740 N TYR A 108 -4.036 12.579 -3.547 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.752 12.255 -4.157 1.00 0.00 C ATOM 1742 C TYR A 108 -2.178 10.970 -3.568 1.00 0.00 C ATOM 1743 O TYR A 108 -1.708 10.934 -2.431 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.765 13.406 -3.958 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.354 14.767 -4.252 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.951 15.038 -5.477 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.313 15.783 -3.305 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -3.490 16.280 -5.750 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -2.851 17.028 -3.569 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.437 17.271 -4.793 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.974 18.510 -5.061 1.00 0.00 O ATOM 0 H TYR A 108 -4.023 12.610 -2.528 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.913 12.104 -5.224 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.404 13.390 -2.930 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.900 13.247 -4.602 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.994 14.264 -6.229 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.853 15.596 -2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.950 16.474 -6.708 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.813 17.806 -2.821 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.855 19.093 -4.282 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.217 9.889 -4.360 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.704 8.581 -3.941 1.00 0.00 C ATOM 1763 C PRO A 109 -0.183 8.564 -3.826 1.00 0.00 C ATOM 1764 O PRO A 109 0.521 8.345 -4.812 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.166 7.643 -5.059 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.318 8.522 -6.252 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.763 9.859 -5.727 1.00 0.00 C ATOM 0 HA PRO A 109 -2.067 8.299 -2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.437 6.853 -5.240 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.107 7.156 -4.804 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.377 8.609 -6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.050 8.112 -6.948 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.375 10.678 -6.333 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.849 9.949 -5.728 1.00 0.00 H new ATOM 1775 N VAL A 110 0.317 8.797 -2.617 1.00 0.00 N ATOM 1776 CA VAL A 110 1.755 8.807 -2.374 1.00 0.00 C ATOM 1777 C VAL A 110 2.468 7.786 -3.252 1.00 0.00 C ATOM 1778 O VAL A 110 2.027 6.643 -3.379 1.00 0.00 O ATOM 1779 CB VAL A 110 2.076 8.511 -0.897 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.580 8.445 -0.680 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.444 9.560 0.006 1.00 0.00 C ATOM 0 H VAL A 110 -0.252 8.981 -1.791 1.00 0.00 H new ATOM 0 HA VAL A 110 2.111 9.807 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 110 1.653 7.540 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.787 8.235 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.003 7.653 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.029 9.399 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.681 9.335 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.835 10.544 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.362 9.553 -0.129 1.00 0.00 H new ATOM 1791 N THR A 111 3.574 8.205 -3.859 1.00 0.00 N ATOM 1792 CA THR A 111 4.349 7.327 -4.727 1.00 0.00 C ATOM 1793 C THR A 111 5.825 7.340 -4.345 1.00 0.00 C ATOM 1794 O THR A 111 6.318 8.272 -3.709 1.00 0.00 O ATOM 1795 CB THR A 111 4.209 7.734 -6.206 1.00 0.00 C ATOM 1796 OG1 THR A 111 4.120 9.159 -6.316 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.978 7.093 -6.829 1.00 0.00 C ATOM 0 H THR A 111 3.953 9.147 -3.765 1.00 0.00 H new ATOM 0 HA THR A 111 3.952 6.321 -4.596 1.00 0.00 H new ATOM 0 HB THR A 111 5.091 7.384 -6.742 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.033 9.409 -7.259 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.900 7.395 -7.873 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.064 6.008 -6.770 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.087 7.416 -6.290 1.00 0.00 H new ATOM 1805 N PRO A 112 6.549 6.284 -4.743 1.00 0.00 N ATOM 1806 CA PRO A 112 7.980 6.151 -4.454 1.00 0.00 C ATOM 1807 C PRO A 112 8.825 7.149 -5.239 1.00 0.00 C ATOM 1808 O PRO A 112 9.955 7.453 -4.859 1.00 0.00 O ATOM 1809 CB PRO A 112 8.300 4.720 -4.892 1.00 0.00 C ATOM 1810 CG PRO A 112 7.270 4.400 -5.920 1.00 0.00 C ATOM 1811 CD PRO A 112 6.027 5.137 -5.505 1.00 0.00 C ATOM 0 HA PRO A 112 8.204 6.351 -3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.307 4.648 -5.304 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.249 4.028 -4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.597 4.714 -6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.089 3.326 -5.970 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.444 5.459 -6.368 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.374 4.513 -4.895 1.00 0.00 H new ATOM 1819 N GLU A 113 8.268 7.655 -6.335 1.00 0.00 N ATOM 1820 CA GLU A 113 8.972 8.619 -7.174 1.00 0.00 C ATOM 1821 C GLU A 113 8.832 10.031 -6.614 1.00 0.00 C ATOM 1822 O GLU A 113 9.716 10.871 -6.787 1.00 0.00 O ATOM 1823 CB GLU A 113 8.436 8.570 -8.606 1.00 0.00 C ATOM 1824 CG GLU A 113 9.082 7.493 -9.461 1.00 0.00 C ATOM 1825 CD GLU A 113 8.587 7.512 -10.894 1.00 0.00 C ATOM 1826 OE1 GLU A 113 7.442 7.072 -11.132 1.00 0.00 O ATOM 1827 OE2 GLU A 113 9.344 7.966 -11.778 1.00 0.00 O ATOM 0 H GLU A 113 7.333 7.414 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 113 10.029 8.353 -7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 113 7.359 8.402 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.594 9.540 -9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.164 7.627 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.879 6.516 -9.023 1.00 0.00 H new ATOM 1834 N LEU A 114 7.714 10.287 -5.943 1.00 0.00 N ATOM 1835 CA LEU A 114 7.456 11.598 -5.357 1.00 0.00 C ATOM 1836 C LEU A 114 8.474 11.918 -4.268 1.00 0.00 C ATOM 1837 O LEU A 114 9.143 12.951 -4.313 1.00 0.00 O ATOM 1838 CB LEU A 114 6.040 11.650 -4.779 1.00 0.00 C ATOM 1839 CG LEU A 114 5.644 12.957 -4.091 1.00 0.00 C ATOM 1840 CD1 LEU A 114 5.247 14.003 -5.120 1.00 0.00 C ATOM 1841 CD2 LEU A 114 4.510 12.718 -3.105 1.00 0.00 C ATOM 0 H LEU A 114 6.972 9.604 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 114 7.548 12.345 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.332 11.458 -5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.932 10.837 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 114 6.506 13.330 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.968 14.926 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.088 14.195 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.400 13.639 -5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.241 13.659 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.644 12.321 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.831 12.003 -2.348 1.00 0.00 H new ATOM 1853 N LEU A 115 8.589 11.025 -3.291 1.00 0.00 N ATOM 1854 CA LEU A 115 9.528 11.211 -2.191 1.00 0.00 C ATOM 1855 C LEU A 115 10.870 11.727 -2.702 1.00 0.00 C ATOM 1856 O LEU A 115 11.480 12.605 -2.092 1.00 0.00 O ATOM 1857 CB LEU A 115 9.728 9.895 -1.437 1.00 0.00 C ATOM 1858 CG LEU A 115 8.779 9.641 -0.266 1.00 0.00 C ATOM 1859 CD1 LEU A 115 8.918 10.736 0.780 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.341 9.548 -0.755 1.00 0.00 C ATOM 0 H LEU A 115 8.043 10.165 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 115 9.110 11.953 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.625 9.074 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.751 9.866 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 115 9.047 8.690 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.235 10.539 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.942 10.755 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.677 11.700 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.680 9.367 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.061 10.483 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.251 8.728 -1.467 1.00 0.00 H new ATOM 1872 N GLU A 116 11.321 11.176 -3.824 1.00 0.00 N ATOM 1873 CA GLU A 116 12.590 11.583 -4.417 1.00 0.00 C ATOM 1874 C GLU A 116 12.475 12.965 -5.054 1.00 0.00 C ATOM 1875 O GLU A 116 13.379 13.792 -4.935 1.00 0.00 O ATOM 1876 CB GLU A 116 13.039 10.562 -5.464 1.00 0.00 C ATOM 1877 CG GLU A 116 13.253 9.167 -4.902 1.00 0.00 C ATOM 1878 CD GLU A 116 14.553 9.041 -4.131 1.00 0.00 C ATOM 1879 OE1 GLU A 116 15.551 9.667 -4.546 1.00 0.00 O ATOM 1880 OE2 GLU A 116 14.572 8.317 -3.114 1.00 0.00 O ATOM 0 H GLU A 116 10.828 10.448 -4.340 1.00 0.00 H new ATOM 0 HA GLU A 116 13.335 11.630 -3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.292 10.515 -6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.967 10.907 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.420 8.912 -4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.248 8.446 -5.719 1.00 0.00 H new ATOM 1887 N ARG A 117 11.358 13.206 -5.732 1.00 0.00 N ATOM 1888 CA ARG A 117 11.125 14.486 -6.390 1.00 0.00 C ATOM 1889 C ARG A 117 11.100 15.623 -5.372 1.00 0.00 C ATOM 1890 O ARG A 117 11.703 16.675 -5.587 1.00 0.00 O ATOM 1891 CB ARG A 117 9.807 14.452 -7.165 1.00 0.00 C ATOM 1892 CG ARG A 117 9.379 15.810 -7.698 1.00 0.00 C ATOM 1893 CD ARG A 117 8.579 15.677 -8.985 1.00 0.00 C ATOM 1894 NE ARG A 117 8.621 16.899 -9.784 1.00 0.00 N ATOM 1895 CZ ARG A 117 8.241 16.959 -11.056 1.00 0.00 C ATOM 1896 NH1 ARG A 117 7.793 15.872 -11.669 1.00 0.00 N ATOM 1897 NH2 ARG A 117 8.308 18.107 -11.716 1.00 0.00 N ATOM 0 H ARG A 117 10.600 12.532 -5.840 1.00 0.00 H new ATOM 0 HA ARG A 117 11.944 14.663 -7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.904 13.758 -8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.023 14.062 -6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.779 16.324 -6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.260 16.426 -7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.972 14.847 -9.572 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.543 15.436 -8.745 1.00 0.00 H new ATOM 0 HE ARG A 117 8.961 17.753 -9.341 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.739 14.987 -11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.502 15.921 -12.645 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.652 18.945 -11.247 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.016 18.152 -12.692 1.00 0.00 H new ATOM 1911 N TYR A 118 10.398 15.405 -4.266 1.00 0.00 N ATOM 1912 CA TYR A 118 10.292 16.412 -3.217 1.00 0.00 C ATOM 1913 C TYR A 118 11.568 16.468 -2.384 1.00 0.00 C ATOM 1914 O TYR A 118 12.116 17.542 -2.138 1.00 0.00 O ATOM 1915 CB TYR A 118 9.093 16.115 -2.315 1.00 0.00 C ATOM 1916 CG TYR A 118 7.764 16.498 -2.927 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.547 16.377 -4.294 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.727 16.982 -2.139 1.00 0.00 C ATOM 1919 CE1 TYR A 118 6.335 16.726 -4.858 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.512 17.333 -2.694 1.00 0.00 C ATOM 1921 CZ TYR A 118 5.321 17.203 -4.054 1.00 0.00 C ATOM 1922 OH TYR A 118 4.112 17.552 -4.611 1.00 0.00 O ATOM 0 H TYR A 118 9.894 14.540 -4.072 1.00 0.00 H new ATOM 0 HA TYR A 118 10.148 17.382 -3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 118 9.081 15.051 -2.079 1.00 0.00 H new ATOM 0 HB3 TYR A 118 9.217 16.649 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 118 8.339 16.004 -4.926 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.874 17.086 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.182 16.626 -5.922 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.716 17.707 -2.067 1.00 0.00 H new ATOM 0 HH TYR A 118 3.507 17.868 -3.908 1.00 0.00 H new ATOM 1932 N SER A 119 12.036 15.301 -1.952 1.00 0.00 N ATOM 1933 CA SER A 119 13.247 15.215 -1.143 1.00 0.00 C ATOM 1934 C SER A 119 14.438 15.818 -1.882 1.00 0.00 C ATOM 1935 O SER A 119 14.997 16.829 -1.460 1.00 0.00 O ATOM 1936 CB SER A 119 13.541 13.758 -0.781 1.00 0.00 C ATOM 1937 OG SER A 119 14.734 13.652 -0.023 1.00 0.00 O ATOM 0 H SER A 119 11.595 14.402 -2.148 1.00 0.00 H new ATOM 0 HA SER A 119 13.084 15.784 -0.227 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.707 13.346 -0.213 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.631 13.165 -1.691 1.00 0.00 H new ATOM 0 HG SER A 119 14.899 12.711 0.197 1.00 0.00 H new