USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 555 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 73 TYR OH : rot -171:sc= 1.28 USER MOD Set 1.2: A 77 LYS NZ :NH3+ -120:sc= 1.28 (180deg=0.198) USER MOD Set 2.1: A 51 SER OG : rot -118:sc= 1.25 USER MOD Set 2.2: A 58 TYR OH : rot 30:sc= 0.359 USER MOD Set 3.1: A 18 SER OG : rot 180:sc= -0.0707 USER MOD Set 3.2: A 19 HIS : no HD1:sc= -0.546 K(o=-0.62,f=-3.4!) USER MOD Set 3.3: A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= 0.195 K(o=0.19,f=-3.2!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 21 THR OG1 : rot 137:sc= 0.935 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -165:sc= -0.145 (180deg=-0.679) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 36 SER OG : rot 180:sc= -0.129 USER MOD Single : A 37 SER OG : rot -79:sc= 0.31 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 170:sc= -2.85! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -123:sc= -1.84 (180deg=-2.44!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.743 K(o=0.74,f=-0.036) USER MOD Single : A 55 SER OG : rot 22:sc= 1.12 USER MOD Single : A 56 THR OG1 : rot -97:sc= 1.03 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -133:sc= -0.419! (180deg=-2.06!) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.509 F(o=-1.5!,f=-0.51) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 14.899 0.222 -1.942 1.00 14.13 N ATOM 147 CA HIS A 10 14.463 0.746 -3.241 1.00 25.25 C ATOM 148 C HIS A 10 13.003 0.350 -3.521 1.00 14.21 C ATOM 149 O HIS A 10 12.558 0.337 -4.666 1.00 2.11 O ATOM 150 CB HIS A 10 15.393 0.227 -4.353 1.00 51.42 C ATOM 151 CG HIS A 10 15.212 0.923 -5.673 1.00 22.13 C ATOM 152 ND1 HIS A 10 14.479 0.394 -6.712 1.00 4.52 N ATOM 153 CD2 HIS A 10 15.685 2.112 -6.122 1.00 1.33 C ATOM 154 CE1 HIS A 10 14.508 1.220 -7.736 1.00 61.14 C ATOM 155 NE2 HIS A 10 15.230 2.269 -7.404 1.00 64.11 N ATOM 0 HA HIS A 10 14.518 1.834 -3.220 1.00 25.25 H new ATOM 0 HB2 HIS A 10 16.428 0.343 -4.031 1.00 51.42 H new ATOM 0 HB3 HIS A 10 15.219 -0.840 -4.489 1.00 51.42 H new ATOM 0 HD1 HIS A 10 13.989 -0.500 -6.691 1.00 4.52 H new ATOM 0 HD2 HIS A 10 16.304 2.805 -5.572 1.00 1.33 H new ATOM 0 HE1 HIS A 10 14.022 1.064 -8.688 1.00 61.14 H new ATOM 164 N MET A 11 12.254 0.061 -2.455 1.00 73.02 N ATOM 165 CA MET A 11 10.860 -0.394 -2.580 1.00 61.42 C ATOM 166 C MET A 11 9.862 0.780 -2.631 1.00 53.55 C ATOM 167 O MET A 11 8.704 0.595 -2.992 1.00 44.11 O ATOM 168 CB MET A 11 10.506 -1.323 -1.410 1.00 33.12 C ATOM 169 CG MET A 11 11.405 -2.548 -1.310 1.00 1.33 C ATOM 170 SD MET A 11 10.971 -3.612 0.081 1.00 70.33 S ATOM 171 CE MET A 11 12.211 -4.896 -0.075 1.00 62.13 C ATOM 0 H MET A 11 12.586 0.133 -1.493 1.00 73.02 H new ATOM 0 HA MET A 11 10.780 -0.934 -3.524 1.00 61.42 H new ATOM 0 HB2 MET A 11 10.568 -0.760 -0.479 1.00 33.12 H new ATOM 0 HB3 MET A 11 9.472 -1.650 -1.517 1.00 33.12 H new ATOM 0 HG2 MET A 11 11.338 -3.120 -2.235 1.00 1.33 H new ATOM 0 HG3 MET A 11 12.442 -2.227 -1.208 1.00 1.33 H new ATOM 0 HE1 MET A 11 12.074 -5.632 0.717 1.00 62.13 H new ATOM 0 HE2 MET A 11 12.110 -5.383 -1.045 1.00 62.13 H new ATOM 0 HE3 MET A 11 13.204 -4.455 0.007 1.00 62.13 H new ATOM 181 N LEU A 12 10.313 1.982 -2.263 1.00 40.45 N ATOM 182 CA LEU A 12 9.448 3.175 -2.282 1.00 42.21 C ATOM 183 C LEU A 12 8.941 3.510 -3.706 1.00 23.10 C ATOM 184 O LEU A 12 7.761 3.819 -3.884 1.00 34.12 O ATOM 185 CB LEU A 12 10.165 4.390 -1.656 1.00 53.22 C ATOM 186 CG LEU A 12 10.358 4.334 -0.126 1.00 31.00 C ATOM 187 CD1 LEU A 12 11.339 3.230 0.268 1.00 31.32 C ATOM 188 CD2 LEU A 12 10.827 5.685 0.408 1.00 13.15 C ATOM 0 H LEU A 12 11.267 2.159 -1.949 1.00 40.45 H new ATOM 0 HA LEU A 12 8.573 2.940 -1.676 1.00 42.21 H new ATOM 0 HB2 LEU A 12 11.144 4.493 -2.124 1.00 53.22 H new ATOM 0 HB3 LEU A 12 9.599 5.289 -1.900 1.00 53.22 H new ATOM 0 HG LEU A 12 9.393 4.101 0.324 1.00 31.00 H new ATOM 0 HD11 LEU A 12 11.454 3.215 1.352 1.00 31.32 H new ATOM 0 HD12 LEU A 12 10.957 2.266 -0.069 1.00 31.32 H new ATOM 0 HD13 LEU A 12 12.306 3.420 -0.197 1.00 31.32 H new ATOM 0 HD21 LEU A 12 10.957 5.624 1.488 1.00 13.15 H new ATOM 0 HD22 LEU A 12 11.776 5.950 -0.057 1.00 13.15 H new ATOM 0 HD23 LEU A 12 10.083 6.447 0.175 1.00 13.15 H new ATOM 200 N PRO A 13 9.815 3.484 -4.740 1.00 24.11 N ATOM 201 CA PRO A 13 9.369 3.584 -6.142 1.00 23.40 C ATOM 202 C PRO A 13 8.719 2.273 -6.631 1.00 33.22 C ATOM 203 O PRO A 13 8.741 1.266 -5.921 1.00 24.43 O ATOM 204 CB PRO A 13 10.674 3.866 -6.901 1.00 11.20 C ATOM 205 CG PRO A 13 11.727 3.219 -6.074 1.00 22.22 C ATOM 206 CD PRO A 13 11.288 3.394 -4.643 1.00 50.31 C ATOM 0 HA PRO A 13 8.607 4.349 -6.288 1.00 23.40 H new ATOM 0 HB2 PRO A 13 10.647 3.449 -7.908 1.00 11.20 H new ATOM 0 HB3 PRO A 13 10.851 4.937 -7.004 1.00 11.20 H new ATOM 0 HG2 PRO A 13 11.829 2.163 -6.326 1.00 22.22 H new ATOM 0 HG3 PRO A 13 12.699 3.683 -6.245 1.00 22.22 H new ATOM 0 HD2 PRO A 13 11.598 2.553 -4.023 1.00 50.31 H new ATOM 0 HD3 PRO A 13 11.716 4.293 -4.199 1.00 50.31 H new ATOM 214 N PRO A 14 8.109 2.260 -7.838 1.00 4.24 N ATOM 215 CA PRO A 14 7.544 1.025 -8.413 1.00 43.52 C ATOM 216 C PRO A 14 8.576 -0.120 -8.501 1.00 11.42 C ATOM 217 O PRO A 14 9.247 -0.303 -9.523 1.00 62.01 O ATOM 218 CB PRO A 14 7.085 1.459 -9.813 1.00 14.41 C ATOM 219 CG PRO A 14 6.857 2.929 -9.698 1.00 4.22 C ATOM 220 CD PRO A 14 7.886 3.429 -8.715 1.00 1.12 C ATOM 0 HA PRO A 14 6.741 0.621 -7.796 1.00 43.52 H new ATOM 0 HB2 PRO A 14 7.841 1.233 -10.565 1.00 14.41 H new ATOM 0 HB3 PRO A 14 6.174 0.939 -10.110 1.00 14.41 H new ATOM 0 HG2 PRO A 14 6.970 3.419 -10.665 1.00 4.22 H new ATOM 0 HG3 PRO A 14 5.847 3.142 -9.349 1.00 4.22 H new ATOM 0 HD2 PRO A 14 8.804 3.739 -9.215 1.00 1.12 H new ATOM 0 HD3 PRO A 14 7.522 4.290 -8.154 1.00 1.12 H new ATOM 228 N GLU A 15 8.721 -0.866 -7.407 1.00 44.42 N ATOM 229 CA GLU A 15 9.675 -1.978 -7.338 1.00 44.42 C ATOM 230 C GLU A 15 8.994 -3.273 -6.858 1.00 63.01 C ATOM 231 O GLU A 15 8.875 -3.508 -5.653 1.00 4.13 O ATOM 232 CB GLU A 15 10.835 -1.617 -6.393 1.00 70.25 C ATOM 233 CG GLU A 15 11.941 -2.669 -6.326 1.00 62.23 C ATOM 234 CD GLU A 15 12.707 -2.808 -7.633 1.00 14.34 C ATOM 235 OE1 GLU A 15 13.687 -2.059 -7.833 1.00 3.53 O ATOM 236 OE2 GLU A 15 12.335 -3.668 -8.463 1.00 44.02 O ATOM 0 H GLU A 15 8.187 -0.721 -6.550 1.00 44.42 H new ATOM 0 HA GLU A 15 10.062 -2.151 -8.342 1.00 44.42 H new ATOM 0 HB2 GLU A 15 11.269 -0.670 -6.714 1.00 70.25 H new ATOM 0 HB3 GLU A 15 10.437 -1.461 -5.390 1.00 70.25 H new ATOM 0 HG2 GLU A 15 12.637 -2.407 -5.529 1.00 62.23 H new ATOM 0 HG3 GLU A 15 11.504 -3.632 -6.063 1.00 62.23 H new ATOM 243 N GLN A 16 8.535 -4.092 -7.808 1.00 32.21 N ATOM 244 CA GLN A 16 7.897 -5.386 -7.501 1.00 33.44 C ATOM 245 C GLN A 16 6.787 -5.261 -6.436 1.00 14.34 C ATOM 246 O GLN A 16 6.741 -6.034 -5.476 1.00 63.32 O ATOM 247 CB GLN A 16 8.957 -6.409 -7.049 1.00 73.13 C ATOM 248 CG GLN A 16 9.987 -6.742 -8.123 1.00 65.30 C ATOM 249 CD GLN A 16 11.034 -7.741 -7.651 1.00 45.31 C ATOM 250 OE1 GLN A 16 10.775 -8.584 -6.796 1.00 4.14 O ATOM 251 NE2 GLN A 16 12.225 -7.661 -8.208 1.00 25.24 N ATOM 0 H GLN A 16 8.592 -3.884 -8.805 1.00 32.21 H new ATOM 0 HA GLN A 16 7.422 -5.734 -8.418 1.00 33.44 H new ATOM 0 HB2 GLN A 16 9.473 -6.020 -6.172 1.00 73.13 H new ATOM 0 HB3 GLN A 16 8.455 -7.327 -6.743 1.00 73.13 H new ATOM 0 HG2 GLN A 16 9.476 -7.145 -8.997 1.00 65.30 H new ATOM 0 HG3 GLN A 16 10.484 -5.825 -8.439 1.00 65.30 H new ATOM 0 HE21 GLN A 16 12.410 -6.950 -8.916 1.00 25.24 H new ATOM 0 HE22 GLN A 16 12.962 -8.310 -7.932 1.00 25.24 H new ATOM 260 N TRP A 17 5.884 -4.295 -6.615 1.00 35.45 N ATOM 261 CA TRP A 17 4.767 -4.103 -5.678 1.00 34.30 C ATOM 262 C TRP A 17 3.697 -5.197 -5.824 1.00 14.25 C ATOM 263 O TRP A 17 2.616 -4.971 -6.371 1.00 72.12 O ATOM 264 CB TRP A 17 4.140 -2.711 -5.850 1.00 75.52 C ATOM 265 CG TRP A 17 4.915 -1.616 -5.172 1.00 35.13 C ATOM 266 CD1 TRP A 17 6.039 -0.992 -5.630 1.00 21.11 C ATOM 267 CD2 TRP A 17 4.622 -1.024 -3.900 1.00 31.42 C ATOM 268 NE1 TRP A 17 6.462 -0.051 -4.724 1.00 1.54 N ATOM 269 CE2 TRP A 17 5.607 -0.051 -3.654 1.00 51.01 C ATOM 270 CE3 TRP A 17 3.621 -1.224 -2.948 1.00 44.23 C ATOM 271 CZ2 TRP A 17 5.621 0.720 -2.495 1.00 51.13 C ATOM 272 CZ3 TRP A 17 3.635 -0.457 -1.798 1.00 12.04 C ATOM 273 CH2 TRP A 17 4.628 0.505 -1.579 1.00 54.20 C ATOM 0 H TRP A 17 5.900 -3.636 -7.393 1.00 35.45 H new ATOM 0 HA TRP A 17 5.178 -4.179 -4.671 1.00 34.30 H new ATOM 0 HB2 TRP A 17 4.062 -2.485 -6.914 1.00 75.52 H new ATOM 0 HB3 TRP A 17 3.125 -2.727 -5.452 1.00 75.52 H new ATOM 0 HD1 TRP A 17 6.526 -1.207 -6.570 1.00 21.11 H new ATOM 0 HE1 TRP A 17 7.279 0.550 -4.830 1.00 1.54 H new ATOM 0 HE3 TRP A 17 2.850 -1.964 -3.107 1.00 44.23 H new ATOM 0 HZ2 TRP A 17 6.388 1.461 -2.325 1.00 51.13 H new ATOM 0 HZ3 TRP A 17 2.865 -0.603 -1.055 1.00 12.04 H new ATOM 0 HH2 TRP A 17 4.610 1.088 -0.670 1.00 54.20 H new ATOM 284 N SER A 18 4.031 -6.395 -5.350 1.00 15.52 N ATOM 285 CA SER A 18 3.086 -7.520 -5.290 1.00 4.15 C ATOM 286 C SER A 18 2.491 -7.639 -3.879 1.00 33.40 C ATOM 287 O SER A 18 2.765 -6.800 -3.020 1.00 52.24 O ATOM 288 CB SER A 18 3.795 -8.828 -5.677 1.00 14.21 C ATOM 289 OG SER A 18 2.949 -9.955 -5.503 1.00 31.10 O ATOM 0 H SER A 18 4.961 -6.618 -4.996 1.00 15.52 H new ATOM 0 HA SER A 18 2.277 -7.336 -5.997 1.00 4.15 H new ATOM 0 HB2 SER A 18 4.119 -8.773 -6.716 1.00 14.21 H new ATOM 0 HB3 SER A 18 4.692 -8.949 -5.070 1.00 14.21 H new ATOM 0 HG SER A 18 3.431 -10.769 -5.760 1.00 31.10 H new ATOM 295 N HIS A 19 1.694 -8.684 -3.631 1.00 34.31 N ATOM 296 CA HIS A 19 1.055 -8.876 -2.318 1.00 25.14 C ATOM 297 C HIS A 19 2.079 -8.776 -1.171 1.00 51.12 C ATOM 298 O HIS A 19 1.790 -8.209 -0.117 1.00 74.44 O ATOM 299 CB HIS A 19 0.331 -10.233 -2.258 1.00 4.01 C ATOM 300 CG HIS A 19 1.251 -11.417 -2.331 1.00 10.01 C ATOM 301 ND1 HIS A 19 1.789 -12.019 -1.215 1.00 1.21 N ATOM 302 CD2 HIS A 19 1.734 -12.108 -3.393 1.00 24.31 C ATOM 303 CE1 HIS A 19 2.560 -13.021 -1.580 1.00 63.11 C ATOM 304 NE2 HIS A 19 2.545 -13.096 -2.894 1.00 63.13 N ATOM 0 H HIS A 19 1.475 -9.408 -4.316 1.00 34.31 H new ATOM 0 HA HIS A 19 0.324 -8.077 -2.192 1.00 25.14 H new ATOM 0 HB2 HIS A 19 -0.242 -10.287 -1.333 1.00 4.01 H new ATOM 0 HB3 HIS A 19 -0.383 -10.289 -3.079 1.00 4.01 H new ATOM 0 HD2 HIS A 19 1.521 -11.917 -4.434 1.00 24.31 H new ATOM 0 HE1 HIS A 19 3.111 -13.670 -0.915 1.00 63.11 H new ATOM 0 HE2 HIS A 19 3.055 -13.780 -3.453 1.00 63.13 H new ATOM 313 N THR A 20 3.276 -9.321 -1.398 1.00 21.10 N ATOM 314 CA THR A 20 4.354 -9.295 -0.400 1.00 41.33 C ATOM 315 C THR A 20 4.722 -7.861 0.001 1.00 21.35 C ATOM 316 O THR A 20 4.678 -7.504 1.182 1.00 43.34 O ATOM 317 CB THR A 20 5.625 -10.004 -0.928 1.00 31.03 C ATOM 318 OG1 THR A 20 5.297 -11.326 -1.373 1.00 13.13 O ATOM 319 CG2 THR A 20 6.706 -10.084 0.149 1.00 71.43 C ATOM 0 H THR A 20 3.527 -9.789 -2.269 1.00 21.10 H new ATOM 0 HA THR A 20 3.977 -9.825 0.475 1.00 41.33 H new ATOM 0 HB THR A 20 6.013 -9.418 -1.761 1.00 31.03 H new ATOM 0 HG1 THR A 20 6.105 -11.769 -1.707 1.00 13.13 H new ATOM 0 HG21 THR A 20 7.585 -10.587 -0.254 1.00 71.43 H new ATOM 0 HG22 THR A 20 6.978 -9.078 0.467 1.00 71.43 H new ATOM 0 HG23 THR A 20 6.327 -10.644 1.004 1.00 71.43 H new ATOM 327 N THR A 21 5.080 -7.044 -0.989 1.00 34.03 N ATOM 328 CA THR A 21 5.465 -5.646 -0.751 1.00 64.41 C ATOM 329 C THR A 21 4.291 -4.828 -0.193 1.00 20.54 C ATOM 330 O THR A 21 4.452 -4.047 0.747 1.00 34.44 O ATOM 331 CB THR A 21 5.972 -4.976 -2.055 1.00 61.23 C ATOM 332 OG1 THR A 21 6.996 -5.787 -2.655 1.00 45.10 O ATOM 333 CG2 THR A 21 6.528 -3.580 -1.785 1.00 54.14 C ATOM 0 H THR A 21 5.113 -7.324 -1.969 1.00 34.03 H new ATOM 0 HA THR A 21 6.270 -5.661 -0.016 1.00 64.41 H new ATOM 0 HB THR A 21 5.124 -4.884 -2.734 1.00 61.23 H new ATOM 0 HG1 THR A 21 6.851 -5.834 -3.623 1.00 45.10 H new ATOM 0 HG21 THR A 21 6.874 -3.139 -2.720 1.00 54.14 H new ATOM 0 HG22 THR A 21 5.746 -2.953 -1.356 1.00 54.14 H new ATOM 0 HG23 THR A 21 7.361 -3.649 -1.086 1.00 54.14 H new ATOM 341 N VAL A 22 3.105 -5.029 -0.768 1.00 51.12 N ATOM 342 CA VAL A 22 1.904 -4.300 -0.349 1.00 25.44 C ATOM 343 C VAL A 22 1.534 -4.597 1.113 1.00 42.22 C ATOM 344 O VAL A 22 1.182 -3.687 1.864 1.00 75.21 O ATOM 345 CB VAL A 22 0.692 -4.616 -1.269 1.00 1.21 C ATOM 346 CG1 VAL A 22 -0.571 -3.909 -0.776 1.00 11.44 C ATOM 347 CG2 VAL A 22 0.997 -4.225 -2.716 1.00 71.15 C ATOM 0 H VAL A 22 2.949 -5.692 -1.527 1.00 51.12 H new ATOM 0 HA VAL A 22 2.143 -3.240 -0.436 1.00 25.44 H new ATOM 0 HB VAL A 22 0.513 -5.691 -1.232 1.00 1.21 H new ATOM 0 HG11 VAL A 22 -1.403 -4.148 -1.438 1.00 11.44 H new ATOM 0 HG12 VAL A 22 -0.804 -4.243 0.235 1.00 11.44 H new ATOM 0 HG13 VAL A 22 -0.407 -2.831 -0.773 1.00 11.44 H new ATOM 0 HG21 VAL A 22 0.136 -4.454 -3.344 1.00 71.15 H new ATOM 0 HG22 VAL A 22 1.210 -3.157 -2.767 1.00 71.15 H new ATOM 0 HG23 VAL A 22 1.863 -4.785 -3.069 1.00 71.15 H new ATOM 357 N ARG A 23 1.622 -5.865 1.520 1.00 42.33 N ATOM 358 CA ARG A 23 1.307 -6.247 2.903 1.00 0.31 C ATOM 359 C ARG A 23 2.290 -5.590 3.887 1.00 20.20 C ATOM 360 O ARG A 23 1.908 -5.184 4.986 1.00 14.32 O ATOM 361 CB ARG A 23 1.314 -7.781 3.063 1.00 75.33 C ATOM 362 CG ARG A 23 0.718 -8.273 4.390 1.00 73.41 C ATOM 363 CD ARG A 23 1.777 -8.580 5.455 1.00 52.14 C ATOM 364 NE ARG A 23 2.325 -9.931 5.319 1.00 62.13 N ATOM 365 CZ ARG A 23 3.352 -10.381 5.991 1.00 33.32 C ATOM 366 NH1 ARG A 23 3.998 -9.618 6.810 1.00 30.43 N ATOM 367 NH2 ARG A 23 3.729 -11.607 5.849 1.00 64.53 N ATOM 0 H ARG A 23 1.906 -6.640 0.920 1.00 42.33 H new ATOM 0 HA ARG A 23 0.304 -5.888 3.134 1.00 0.31 H new ATOM 0 HB2 ARG A 23 0.755 -8.225 2.239 1.00 75.33 H new ATOM 0 HB3 ARG A 23 2.340 -8.140 2.982 1.00 75.33 H new ATOM 0 HG2 ARG A 23 0.034 -7.517 4.775 1.00 73.41 H new ATOM 0 HG3 ARG A 23 0.129 -9.171 4.205 1.00 73.41 H new ATOM 0 HD2 ARG A 23 2.586 -7.853 5.381 1.00 52.14 H new ATOM 0 HD3 ARG A 23 1.337 -8.467 6.446 1.00 52.14 H new ATOM 0 HE ARG A 23 1.876 -10.563 4.656 1.00 62.13 H new ATOM 0 HH11 ARG A 23 3.709 -8.649 6.940 1.00 30.43 H new ATOM 0 HH12 ARG A 23 4.797 -9.985 7.327 1.00 30.43 H new ATOM 0 HH21 ARG A 23 3.226 -12.225 5.212 1.00 64.53 H new ATOM 0 HH22 ARG A 23 4.530 -11.958 6.373 1.00 64.53 H new ATOM 381 N ASN A 24 3.555 -5.474 3.478 1.00 14.13 N ATOM 382 CA ASN A 24 4.566 -4.774 4.281 1.00 12.02 C ATOM 383 C ASN A 24 4.239 -3.277 4.407 1.00 63.33 C ATOM 384 O ASN A 24 4.467 -2.666 5.452 1.00 61.34 O ATOM 385 CB ASN A 24 5.962 -4.949 3.667 1.00 4.11 C ATOM 386 CG ASN A 24 6.398 -6.400 3.618 1.00 44.55 C ATOM 387 OD1 ASN A 24 5.991 -7.211 4.442 1.00 34.24 O ATOM 388 ND2 ASN A 24 7.240 -6.735 2.664 1.00 50.42 N ATOM 0 H ASN A 24 3.905 -5.854 2.599 1.00 14.13 H new ATOM 0 HA ASN A 24 4.556 -5.215 5.278 1.00 12.02 H new ATOM 0 HB2 ASN A 24 5.965 -4.538 2.657 1.00 4.11 H new ATOM 0 HB3 ASN A 24 6.685 -4.375 4.247 1.00 4.11 H new ATOM 0 HD21 ASN A 24 7.575 -7.696 2.593 1.00 50.42 H new ATOM 0 HD22 ASN A 24 7.558 -6.034 1.995 1.00 50.42 H new ATOM 395 N ALA A 25 3.712 -2.695 3.330 1.00 63.15 N ATOM 396 CA ALA A 25 3.285 -1.290 3.333 1.00 34.04 C ATOM 397 C ALA A 25 2.064 -1.078 4.242 1.00 73.43 C ATOM 398 O ALA A 25 2.010 -0.127 5.024 1.00 72.20 O ATOM 399 CB ALA A 25 2.971 -0.836 1.912 1.00 21.15 C ATOM 0 H ALA A 25 3.569 -3.174 2.441 1.00 63.15 H new ATOM 0 HA ALA A 25 4.104 -0.689 3.728 1.00 34.04 H new ATOM 0 HB1 ALA A 25 2.655 0.207 1.925 1.00 21.15 H new ATOM 0 HB2 ALA A 25 3.862 -0.938 1.292 1.00 21.15 H new ATOM 0 HB3 ALA A 25 2.171 -1.452 1.502 1.00 21.15 H new ATOM 405 N LEU A 26 1.087 -1.978 4.133 1.00 31.10 N ATOM 406 CA LEU A 26 -0.116 -1.927 4.969 1.00 74.23 C ATOM 407 C LEU A 26 0.242 -1.998 6.462 1.00 20.32 C ATOM 408 O LEU A 26 -0.251 -1.210 7.268 1.00 54.44 O ATOM 409 CB LEU A 26 -1.067 -3.075 4.603 1.00 1.01 C ATOM 410 CG LEU A 26 -1.620 -3.040 3.168 1.00 23.41 C ATOM 411 CD1 LEU A 26 -2.493 -4.263 2.891 1.00 64.35 C ATOM 412 CD2 LEU A 26 -2.402 -1.748 2.924 1.00 40.05 C ATOM 0 H LEU A 26 1.104 -2.755 3.472 1.00 31.10 H new ATOM 0 HA LEU A 26 -0.614 -0.976 4.782 1.00 74.23 H new ATOM 0 HB2 LEU A 26 -0.543 -4.019 4.750 1.00 1.01 H new ATOM 0 HB3 LEU A 26 -1.906 -3.065 5.298 1.00 1.01 H new ATOM 0 HG LEU A 26 -0.777 -3.065 2.478 1.00 23.41 H new ATOM 0 HD11 LEU A 26 -2.872 -4.216 1.870 1.00 64.35 H new ATOM 0 HD12 LEU A 26 -1.900 -5.169 3.016 1.00 64.35 H new ATOM 0 HD13 LEU A 26 -3.330 -4.278 3.589 1.00 64.35 H new ATOM 0 HD21 LEU A 26 -2.785 -1.742 1.904 1.00 40.05 H new ATOM 0 HD22 LEU A 26 -3.235 -1.689 3.625 1.00 40.05 H new ATOM 0 HD23 LEU A 26 -1.744 -0.891 3.070 1.00 40.05 H new ATOM 424 N LYS A 27 1.122 -2.930 6.818 1.00 54.34 N ATOM 425 CA LYS A 27 1.551 -3.107 8.212 1.00 12.42 C ATOM 426 C LYS A 27 2.366 -1.909 8.741 1.00 54.11 C ATOM 427 O LYS A 27 2.819 -1.918 9.887 1.00 31.15 O ATOM 428 CB LYS A 27 2.358 -4.407 8.352 1.00 32.53 C ATOM 429 CG LYS A 27 1.514 -5.672 8.208 1.00 53.52 C ATOM 430 CD LYS A 27 0.479 -5.781 9.327 1.00 53.30 C ATOM 431 CE LYS A 27 -0.317 -7.078 9.246 1.00 40.20 C ATOM 432 NZ LYS A 27 -1.266 -7.214 10.381 1.00 41.34 N ATOM 0 H LYS A 27 1.556 -3.579 6.162 1.00 54.34 H new ATOM 0 HA LYS A 27 0.649 -3.167 8.821 1.00 12.42 H new ATOM 0 HB2 LYS A 27 3.145 -4.418 7.598 1.00 32.53 H new ATOM 0 HB3 LYS A 27 2.848 -4.417 9.325 1.00 32.53 H new ATOM 0 HG2 LYS A 27 1.009 -5.666 7.242 1.00 53.52 H new ATOM 0 HG3 LYS A 27 2.163 -6.548 8.223 1.00 53.52 H new ATOM 0 HD2 LYS A 27 0.982 -5.724 10.292 1.00 53.30 H new ATOM 0 HD3 LYS A 27 -0.204 -4.933 9.273 1.00 53.30 H new ATOM 0 HE2 LYS A 27 -0.868 -7.108 8.306 1.00 40.20 H new ATOM 0 HE3 LYS A 27 0.368 -7.926 9.242 1.00 40.20 H new ATOM 0 HZ1 LYS A 27 -1.789 -8.108 10.291 1.00 41.34 H new ATOM 0 HZ2 LYS A 27 -0.738 -7.210 11.277 1.00 41.34 H new ATOM 0 HZ3 LYS A 27 -1.936 -6.419 10.371 1.00 41.34 H new ATOM 446 N ASP A 28 2.574 -0.895 7.904 1.00 74.22 N ATOM 447 CA ASP A 28 3.203 0.353 8.342 1.00 72.11 C ATOM 448 C ASP A 28 2.172 1.500 8.365 1.00 21.44 C ATOM 449 O ASP A 28 1.928 2.115 9.404 1.00 52.51 O ATOM 450 CB ASP A 28 4.380 0.709 7.421 1.00 35.13 C ATOM 451 CG ASP A 28 5.241 1.833 7.982 1.00 42.33 C ATOM 452 OD1 ASP A 28 4.872 3.017 7.821 1.00 71.21 O ATOM 453 OD2 ASP A 28 6.289 1.540 8.597 1.00 30.10 O ATOM 0 H ASP A 28 2.316 -0.911 6.917 1.00 74.22 H new ATOM 0 HA ASP A 28 3.583 0.212 9.354 1.00 72.11 H new ATOM 0 HB2 ASP A 28 4.998 -0.176 7.268 1.00 35.13 H new ATOM 0 HB3 ASP A 28 3.997 1.003 6.444 1.00 35.13 H new ATOM 458 N LEU A 29 1.551 1.755 7.215 1.00 42.13 N ATOM 459 CA LEU A 29 0.637 2.896 7.048 1.00 10.43 C ATOM 460 C LEU A 29 -0.731 2.681 7.728 1.00 51.34 C ATOM 461 O LEU A 29 -1.319 3.623 8.264 1.00 70.01 O ATOM 462 CB LEU A 29 0.433 3.174 5.551 1.00 14.24 C ATOM 463 CG LEU A 29 1.719 3.442 4.752 1.00 32.43 C ATOM 464 CD1 LEU A 29 1.406 3.649 3.270 1.00 43.41 C ATOM 465 CD2 LEU A 29 2.473 4.645 5.321 1.00 4.03 C ATOM 0 H LEU A 29 1.662 1.185 6.376 1.00 42.13 H new ATOM 0 HA LEU A 29 1.102 3.752 7.538 1.00 10.43 H new ATOM 0 HB2 LEU A 29 -0.080 2.321 5.107 1.00 14.24 H new ATOM 0 HB3 LEU A 29 -0.227 4.035 5.445 1.00 14.24 H new ATOM 0 HG LEU A 29 2.361 2.566 4.843 1.00 32.43 H new ATOM 0 HD11 LEU A 29 2.331 3.837 2.725 1.00 43.41 H new ATOM 0 HD12 LEU A 29 0.925 2.756 2.871 1.00 43.41 H new ATOM 0 HD13 LEU A 29 0.738 4.502 3.155 1.00 43.41 H new ATOM 0 HD21 LEU A 29 3.379 4.815 4.739 1.00 4.03 H new ATOM 0 HD22 LEU A 29 1.838 5.530 5.270 1.00 4.03 H new ATOM 0 HD23 LEU A 29 2.740 4.449 6.359 1.00 4.03 H new ATOM 477 N LEU A 30 -1.237 1.449 7.705 1.00 42.30 N ATOM 478 CA LEU A 30 -2.584 1.155 8.221 1.00 54.13 C ATOM 479 C LEU A 30 -2.653 1.220 9.760 1.00 21.12 C ATOM 480 O LEU A 30 -3.725 1.419 10.326 1.00 53.44 O ATOM 481 CB LEU A 30 -3.048 -0.226 7.729 1.00 12.54 C ATOM 482 CG LEU A 30 -4.500 -0.610 8.079 1.00 43.23 C ATOM 483 CD1 LEU A 30 -5.492 0.365 7.441 1.00 54.45 C ATOM 484 CD2 LEU A 30 -4.797 -2.046 7.647 1.00 75.34 C ATOM 0 H LEU A 30 -0.741 0.637 7.337 1.00 42.30 H new ATOM 0 HA LEU A 30 -3.252 1.926 7.836 1.00 54.13 H new ATOM 0 HB2 LEU A 30 -2.934 -0.262 6.646 1.00 12.54 H new ATOM 0 HB3 LEU A 30 -2.382 -0.982 8.145 1.00 12.54 H new ATOM 0 HG LEU A 30 -4.616 -0.548 9.161 1.00 43.23 H new ATOM 0 HD11 LEU A 30 -6.509 0.073 7.703 1.00 54.45 H new ATOM 0 HD12 LEU A 30 -5.298 1.373 7.808 1.00 54.45 H new ATOM 0 HD13 LEU A 30 -5.376 0.345 6.357 1.00 54.45 H new ATOM 0 HD21 LEU A 30 -5.826 -2.297 7.903 1.00 75.34 H new ATOM 0 HD22 LEU A 30 -4.658 -2.138 6.570 1.00 75.34 H new ATOM 0 HD23 LEU A 30 -4.119 -2.728 8.160 1.00 75.34 H new ATOM 496 N LYS A 31 -1.506 1.080 10.429 1.00 11.41 N ATOM 497 CA LYS A 31 -1.461 1.047 11.904 1.00 53.52 C ATOM 498 C LYS A 31 -2.156 2.262 12.550 1.00 42.11 C ATOM 499 O LYS A 31 -2.710 2.161 13.649 1.00 50.41 O ATOM 500 CB LYS A 31 -0.006 0.985 12.394 1.00 51.10 C ATOM 501 CG LYS A 31 0.744 -0.277 11.977 1.00 21.30 C ATOM 502 CD LYS A 31 2.134 -0.354 12.618 1.00 31.13 C ATOM 503 CE LYS A 31 3.039 0.793 12.175 1.00 53.44 C ATOM 504 NZ LYS A 31 4.362 0.759 12.860 1.00 45.04 N ATOM 0 H LYS A 31 -0.595 0.987 9.980 1.00 11.41 H new ATOM 0 HA LYS A 31 -2.003 0.151 12.208 1.00 53.52 H new ATOM 0 HB2 LYS A 31 0.530 1.855 12.014 1.00 51.10 H new ATOM 0 HB3 LYS A 31 0.002 1.056 13.482 1.00 51.10 H new ATOM 0 HG2 LYS A 31 0.164 -1.155 12.262 1.00 21.30 H new ATOM 0 HG3 LYS A 31 0.843 -0.299 10.892 1.00 21.30 H new ATOM 0 HD2 LYS A 31 2.033 -0.336 13.703 1.00 31.13 H new ATOM 0 HD3 LYS A 31 2.600 -1.304 12.357 1.00 31.13 H new ATOM 0 HE2 LYS A 31 3.188 0.741 11.097 1.00 53.44 H new ATOM 0 HE3 LYS A 31 2.548 1.743 12.383 1.00 53.44 H new ATOM 0 HZ1 LYS A 31 4.944 1.555 12.530 1.00 45.04 H new ATOM 0 HZ2 LYS A 31 4.223 0.835 13.888 1.00 45.04 H new ATOM 0 HZ3 LYS A 31 4.843 -0.136 12.641 1.00 45.04 H new ATOM 518 N ASP A 32 -2.127 3.405 11.869 1.00 14.30 N ATOM 519 CA ASP A 32 -2.642 4.659 12.431 1.00 64.11 C ATOM 520 C ASP A 32 -4.054 5.014 11.922 1.00 22.43 C ATOM 521 O ASP A 32 -4.577 6.091 12.228 1.00 24.01 O ATOM 522 CB ASP A 32 -1.671 5.791 12.097 1.00 32.20 C ATOM 523 CG ASP A 32 -0.283 5.543 12.659 1.00 1.22 C ATOM 524 OD1 ASP A 32 0.505 4.816 12.023 1.00 14.24 O ATOM 525 OD2 ASP A 32 0.029 6.072 13.749 1.00 74.55 O ATOM 0 H ASP A 32 -1.752 3.493 10.924 1.00 14.30 H new ATOM 0 HA ASP A 32 -2.724 4.524 13.510 1.00 64.11 H new ATOM 0 HB2 ASP A 32 -1.608 5.905 11.015 1.00 32.20 H new ATOM 0 HB3 ASP A 32 -2.059 6.729 12.494 1.00 32.20 H new ATOM 530 N MET A 33 -4.685 4.114 11.169 1.00 51.22 N ATOM 531 CA MET A 33 -5.999 4.406 10.581 1.00 63.32 C ATOM 532 C MET A 33 -6.890 3.160 10.489 1.00 64.01 C ATOM 533 O MET A 33 -6.423 2.029 10.606 1.00 3.44 O ATOM 534 CB MET A 33 -5.828 5.034 9.191 1.00 4.11 C ATOM 535 CG MET A 33 -5.138 4.126 8.183 1.00 70.20 C ATOM 536 SD MET A 33 -4.901 4.924 6.579 1.00 34.20 S ATOM 537 CE MET A 33 -6.594 5.316 6.128 1.00 31.25 C ATOM 0 H MET A 33 -4.317 3.188 10.952 1.00 51.22 H new ATOM 0 HA MET A 33 -6.498 5.112 11.245 1.00 63.32 H new ATOM 0 HB2 MET A 33 -6.809 5.309 8.805 1.00 4.11 H new ATOM 0 HB3 MET A 33 -5.254 5.955 9.288 1.00 4.11 H new ATOM 0 HG2 MET A 33 -4.170 3.819 8.579 1.00 70.20 H new ATOM 0 HG3 MET A 33 -5.730 3.220 8.050 1.00 70.20 H new ATOM 0 HE1 MET A 33 -6.640 5.563 5.067 1.00 31.25 H new ATOM 0 HE2 MET A 33 -7.232 4.456 6.328 1.00 31.25 H new ATOM 0 HE3 MET A 33 -6.939 6.168 6.714 1.00 31.25 H new ATOM 547 N ASN A 34 -8.183 3.387 10.276 1.00 12.22 N ATOM 548 CA ASN A 34 -9.156 2.303 10.137 1.00 12.41 C ATOM 549 C ASN A 34 -9.392 1.945 8.659 1.00 42.52 C ATOM 550 O ASN A 34 -9.248 2.788 7.766 1.00 42.33 O ATOM 551 CB ASN A 34 -10.479 2.702 10.803 1.00 71.41 C ATOM 552 CG ASN A 34 -10.359 2.803 12.312 1.00 32.42 C ATOM 553 OD1 ASN A 34 -10.610 1.844 13.033 1.00 21.25 O ATOM 554 ND2 ASN A 34 -9.968 3.962 12.805 1.00 44.40 N ATOM 0 H ASN A 34 -8.586 4.321 10.195 1.00 12.22 H new ATOM 0 HA ASN A 34 -8.753 1.420 10.633 1.00 12.41 H new ATOM 0 HB2 ASN A 34 -10.810 3.660 10.403 1.00 71.41 H new ATOM 0 HB3 ASN A 34 -11.245 1.969 10.550 1.00 71.41 H new ATOM 0 HD21 ASN A 34 -9.867 4.079 13.813 1.00 44.40 H new ATOM 0 HD22 ASN A 34 -9.767 4.741 12.178 1.00 44.40 H new ATOM 561 N GLN A 35 -9.775 0.693 8.412 1.00 14.35 N ATOM 562 CA GLN A 35 -10.001 0.194 7.047 1.00 0.31 C ATOM 563 C GLN A 35 -11.198 0.891 6.380 1.00 21.51 C ATOM 564 O GLN A 35 -11.299 0.934 5.155 1.00 71.33 O ATOM 565 CB GLN A 35 -10.227 -1.324 7.072 1.00 0.24 C ATOM 566 CG GLN A 35 -9.054 -2.108 7.653 1.00 45.25 C ATOM 567 CD GLN A 35 -9.321 -3.605 7.735 1.00 22.54 C ATOM 568 OE1 GLN A 35 -10.459 -4.038 7.891 1.00 35.00 O ATOM 569 NE2 GLN A 35 -8.279 -4.408 7.646 1.00 42.31 N ATOM 0 H GLN A 35 -9.937 -0.002 9.141 1.00 14.35 H new ATOM 0 HA GLN A 35 -9.112 0.420 6.459 1.00 0.31 H new ATOM 0 HB2 GLN A 35 -11.122 -1.540 7.656 1.00 0.24 H new ATOM 0 HB3 GLN A 35 -10.417 -1.671 6.056 1.00 0.24 H new ATOM 0 HG2 GLN A 35 -8.170 -1.935 7.040 1.00 45.25 H new ATOM 0 HG3 GLN A 35 -8.829 -1.729 8.650 1.00 45.25 H new ATOM 0 HE21 GLN A 35 -7.345 -4.019 7.516 1.00 42.31 H new ATOM 0 HE22 GLN A 35 -8.407 -5.418 7.707 1.00 42.31 H new ATOM 578 N SER A 36 -12.098 1.429 7.201 1.00 41.44 N ATOM 579 CA SER A 36 -13.278 2.160 6.717 1.00 61.23 C ATOM 580 C SER A 36 -12.880 3.329 5.804 1.00 40.12 C ATOM 581 O SER A 36 -13.328 3.418 4.656 1.00 63.03 O ATOM 582 CB SER A 36 -14.086 2.694 7.907 1.00 72.30 C ATOM 583 OG SER A 36 -13.309 3.579 8.702 1.00 2.35 O ATOM 0 H SER A 36 -12.035 1.373 8.218 1.00 41.44 H new ATOM 0 HA SER A 36 -13.886 1.465 6.137 1.00 61.23 H new ATOM 0 HB2 SER A 36 -14.974 3.212 7.544 1.00 72.30 H new ATOM 0 HB3 SER A 36 -14.431 1.860 8.518 1.00 72.30 H new ATOM 0 HG SER A 36 -13.849 3.905 9.452 1.00 2.35 H new ATOM 589 N SER A 37 -12.043 4.225 6.326 1.00 5.21 N ATOM 590 CA SER A 37 -11.532 5.363 5.544 1.00 45.01 C ATOM 591 C SER A 37 -10.686 4.888 4.358 1.00 13.31 C ATOM 592 O SER A 37 -10.783 5.433 3.259 1.00 40.31 O ATOM 593 CB SER A 37 -10.693 6.303 6.425 1.00 73.43 C ATOM 594 OG SER A 37 -10.194 7.408 5.680 1.00 23.52 O ATOM 0 H SER A 37 -11.701 4.190 7.286 1.00 5.21 H new ATOM 0 HA SER A 37 -12.397 5.906 5.164 1.00 45.01 H new ATOM 0 HB2 SER A 37 -11.301 6.666 7.254 1.00 73.43 H new ATOM 0 HB3 SER A 37 -9.860 5.750 6.859 1.00 73.43 H new ATOM 0 HG SER A 37 -9.416 7.124 5.155 1.00 23.52 H new ATOM 600 N LEU A 38 -9.864 3.861 4.590 1.00 41.52 N ATOM 601 CA LEU A 38 -8.984 3.313 3.549 1.00 1.51 C ATOM 602 C LEU A 38 -9.801 2.861 2.322 1.00 43.12 C ATOM 603 O LEU A 38 -9.522 3.266 1.194 1.00 25.32 O ATOM 604 CB LEU A 38 -8.167 2.137 4.129 1.00 35.54 C ATOM 605 CG LEU A 38 -6.866 1.760 3.381 1.00 65.15 C ATOM 606 CD1 LEU A 38 -7.154 1.148 2.010 1.00 40.51 C ATOM 607 CD2 LEU A 38 -5.951 2.977 3.246 1.00 23.54 C ATOM 0 H LEU A 38 -9.788 3.390 5.491 1.00 41.52 H new ATOM 0 HA LEU A 38 -8.297 4.093 3.219 1.00 1.51 H new ATOM 0 HB2 LEU A 38 -7.909 2.378 5.160 1.00 35.54 H new ATOM 0 HB3 LEU A 38 -8.810 1.257 4.158 1.00 35.54 H new ATOM 0 HG LEU A 38 -6.356 1.002 3.976 1.00 65.15 H new ATOM 0 HD11 LEU A 38 -6.214 0.898 1.518 1.00 40.51 H new ATOM 0 HD12 LEU A 38 -7.751 0.244 2.133 1.00 40.51 H new ATOM 0 HD13 LEU A 38 -7.703 1.865 1.400 1.00 40.51 H new ATOM 0 HD21 LEU A 38 -5.042 2.692 2.717 1.00 23.54 H new ATOM 0 HD22 LEU A 38 -6.465 3.759 2.687 1.00 23.54 H new ATOM 0 HD23 LEU A 38 -5.693 3.350 4.237 1.00 23.54 H new ATOM 619 N ALA A 39 -10.824 2.041 2.556 1.00 42.23 N ATOM 620 CA ALA A 39 -11.687 1.541 1.476 1.00 35.04 C ATOM 621 C ALA A 39 -12.519 2.668 0.832 1.00 64.52 C ATOM 622 O ALA A 39 -13.108 2.490 -0.234 1.00 14.15 O ATOM 623 CB ALA A 39 -12.600 0.437 2.000 1.00 50.44 C ATOM 0 H ALA A 39 -11.080 1.705 3.485 1.00 42.23 H new ATOM 0 HA ALA A 39 -11.039 1.133 0.700 1.00 35.04 H new ATOM 0 HB1 ALA A 39 -13.234 0.075 1.191 1.00 50.44 H new ATOM 0 HB2 ALA A 39 -11.995 -0.385 2.382 1.00 50.44 H new ATOM 0 HB3 ALA A 39 -13.224 0.831 2.802 1.00 50.44 H new ATOM 629 N LYS A 40 -12.576 3.822 1.495 1.00 74.22 N ATOM 630 CA LYS A 40 -13.257 5.002 0.950 1.00 11.04 C ATOM 631 C LYS A 40 -12.341 5.747 -0.030 1.00 73.43 C ATOM 632 O LYS A 40 -12.695 5.969 -1.189 1.00 65.25 O ATOM 633 CB LYS A 40 -13.700 5.928 2.106 1.00 42.31 C ATOM 634 CG LYS A 40 -14.386 7.237 1.684 1.00 65.04 C ATOM 635 CD LYS A 40 -13.384 8.339 1.319 1.00 51.14 C ATOM 636 CE LYS A 40 -14.075 9.649 0.971 1.00 21.34 C ATOM 637 NZ LYS A 40 -13.108 10.679 0.507 1.00 71.44 N ATOM 0 H LYS A 40 -12.158 3.968 2.414 1.00 74.22 H new ATOM 0 HA LYS A 40 -14.142 4.682 0.401 1.00 11.04 H new ATOM 0 HB2 LYS A 40 -14.382 5.373 2.751 1.00 42.31 H new ATOM 0 HB3 LYS A 40 -12.824 6.175 2.706 1.00 42.31 H new ATOM 0 HG2 LYS A 40 -15.034 7.044 0.829 1.00 65.04 H new ATOM 0 HG3 LYS A 40 -15.024 7.586 2.496 1.00 65.04 H new ATOM 0 HD2 LYS A 40 -12.703 8.500 2.154 1.00 51.14 H new ATOM 0 HD3 LYS A 40 -12.779 8.013 0.473 1.00 51.14 H new ATOM 0 HE2 LYS A 40 -14.818 9.472 0.194 1.00 21.34 H new ATOM 0 HE3 LYS A 40 -14.610 10.021 1.845 1.00 21.34 H new ATOM 0 HZ1 LYS A 40 -13.618 11.557 0.280 1.00 71.44 H new ATOM 0 HZ2 LYS A 40 -12.414 10.867 1.258 1.00 71.44 H new ATOM 0 HZ3 LYS A 40 -12.615 10.335 -0.342 1.00 71.44 H new ATOM 651 N GLU A 41 -11.160 6.128 0.449 1.00 2.33 N ATOM 652 CA GLU A 41 -10.209 6.904 -0.353 1.00 30.04 C ATOM 653 C GLU A 41 -9.449 6.023 -1.362 1.00 34.01 C ATOM 654 O GLU A 41 -8.803 6.533 -2.280 1.00 34.44 O ATOM 655 CB GLU A 41 -9.229 7.636 0.571 1.00 61.15 C ATOM 656 CG GLU A 41 -8.382 6.716 1.449 1.00 21.10 C ATOM 657 CD GLU A 41 -7.589 7.484 2.495 1.00 73.44 C ATOM 658 OE1 GLU A 41 -6.600 8.154 2.127 1.00 1.31 O ATOM 659 OE2 GLU A 41 -7.963 7.438 3.687 1.00 44.31 O ATOM 0 H GLU A 41 -10.835 5.913 1.391 1.00 2.33 H new ATOM 0 HA GLU A 41 -10.775 7.634 -0.932 1.00 30.04 H new ATOM 0 HB2 GLU A 41 -8.565 8.250 -0.037 1.00 61.15 H new ATOM 0 HB3 GLU A 41 -9.791 8.314 1.213 1.00 61.15 H new ATOM 0 HG2 GLU A 41 -9.030 5.994 1.946 1.00 21.10 H new ATOM 0 HG3 GLU A 41 -7.696 6.149 0.820 1.00 21.10 H new ATOM 666 N CYS A 42 -9.529 4.707 -1.186 1.00 70.14 N ATOM 667 CA CYS A 42 -8.931 3.751 -2.130 1.00 45.34 C ATOM 668 C CYS A 42 -10.006 2.805 -2.688 1.00 54.14 C ATOM 669 O CYS A 42 -10.768 2.215 -1.928 1.00 52.53 O ATOM 670 CB CYS A 42 -7.826 2.939 -1.445 1.00 71.32 C ATOM 671 SG CYS A 42 -6.917 1.833 -2.554 1.00 33.54 S ATOM 0 H CYS A 42 -10.004 4.271 -0.396 1.00 70.14 H new ATOM 0 HA CYS A 42 -8.493 4.314 -2.955 1.00 45.34 H new ATOM 0 HB2 CYS A 42 -7.121 3.628 -0.980 1.00 71.32 H new ATOM 0 HB3 CYS A 42 -8.269 2.347 -0.644 1.00 71.32 H new ATOM 0 HG CYS A 42 -5.877 1.357 -1.936 1.00 33.54 H new ATOM 677 N PRO A 43 -10.073 2.631 -4.025 1.00 61.44 N ATOM 678 CA PRO A 43 -11.137 1.835 -4.679 1.00 30.43 C ATOM 679 C PRO A 43 -10.993 0.308 -4.489 1.00 31.40 C ATOM 680 O PRO A 43 -11.605 -0.477 -5.220 1.00 51.42 O ATOM 681 CB PRO A 43 -10.980 2.209 -6.159 1.00 13.20 C ATOM 682 CG PRO A 43 -9.539 2.558 -6.307 1.00 23.24 C ATOM 683 CD PRO A 43 -9.129 3.201 -5.008 1.00 31.04 C ATOM 0 HA PRO A 43 -12.115 2.056 -4.251 1.00 30.43 H new ATOM 0 HB2 PRO A 43 -11.256 1.379 -6.809 1.00 13.20 H new ATOM 0 HB3 PRO A 43 -11.621 3.049 -6.426 1.00 13.20 H new ATOM 0 HG2 PRO A 43 -8.941 1.669 -6.507 1.00 23.24 H new ATOM 0 HG3 PRO A 43 -9.387 3.239 -7.144 1.00 23.24 H new ATOM 0 HD2 PRO A 43 -8.095 2.967 -4.754 1.00 31.04 H new ATOM 0 HD3 PRO A 43 -9.207 4.287 -5.056 1.00 31.04 H new ATOM 691 N LEU A 44 -10.200 -0.108 -3.506 1.00 63.33 N ATOM 692 CA LEU A 44 -9.996 -1.532 -3.220 1.00 11.22 C ATOM 693 C LEU A 44 -11.080 -2.069 -2.269 1.00 31.44 C ATOM 694 O LEU A 44 -11.465 -1.401 -1.307 1.00 64.33 O ATOM 695 CB LEU A 44 -8.603 -1.751 -2.609 1.00 65.43 C ATOM 696 CG LEU A 44 -7.422 -1.319 -3.496 1.00 52.01 C ATOM 697 CD1 LEU A 44 -6.096 -1.509 -2.762 1.00 3.34 C ATOM 698 CD2 LEU A 44 -7.424 -2.089 -4.818 1.00 74.43 C ATOM 0 H LEU A 44 -9.685 0.520 -2.890 1.00 63.33 H new ATOM 0 HA LEU A 44 -10.068 -2.081 -4.159 1.00 11.22 H new ATOM 0 HB2 LEU A 44 -8.547 -1.205 -1.667 1.00 65.43 H new ATOM 0 HB3 LEU A 44 -8.490 -2.809 -2.372 1.00 65.43 H new ATOM 0 HG LEU A 44 -7.538 -0.259 -3.721 1.00 52.01 H new ATOM 0 HD11 LEU A 44 -5.275 -1.197 -3.408 1.00 3.34 H new ATOM 0 HD12 LEU A 44 -6.093 -0.906 -1.854 1.00 3.34 H new ATOM 0 HD13 LEU A 44 -5.973 -2.560 -2.500 1.00 3.34 H new ATOM 0 HD21 LEU A 44 -6.580 -1.767 -5.428 1.00 74.43 H new ATOM 0 HD22 LEU A 44 -7.339 -3.157 -4.617 1.00 74.43 H new ATOM 0 HD23 LEU A 44 -8.354 -1.893 -5.352 1.00 74.43 H new ATOM 710 N SER A 45 -11.576 -3.271 -2.551 1.00 62.13 N ATOM 711 CA SER A 45 -12.603 -3.905 -1.707 1.00 72.35 C ATOM 712 C SER A 45 -12.071 -4.216 -0.303 1.00 55.31 C ATOM 713 O SER A 45 -11.011 -4.829 -0.151 1.00 24.34 O ATOM 714 CB SER A 45 -13.125 -5.192 -2.364 1.00 21.44 C ATOM 715 OG SER A 45 -13.853 -4.907 -3.550 1.00 5.01 O ATOM 0 H SER A 45 -11.289 -3.830 -3.354 1.00 62.13 H new ATOM 0 HA SER A 45 -13.424 -3.194 -1.608 1.00 72.35 H new ATOM 0 HB2 SER A 45 -12.287 -5.849 -2.598 1.00 21.44 H new ATOM 0 HB3 SER A 45 -13.764 -5.728 -1.662 1.00 21.44 H new ATOM 0 HG SER A 45 -14.172 -5.744 -3.947 1.00 5.01 H new ATOM 721 N GLN A 46 -12.825 -3.812 0.718 1.00 72.43 N ATOM 722 CA GLN A 46 -12.412 -3.990 2.115 1.00 11.02 C ATOM 723 C GLN A 46 -12.142 -5.465 2.455 1.00 53.42 C ATOM 724 O GLN A 46 -11.175 -5.779 3.149 1.00 5.34 O ATOM 725 CB GLN A 46 -13.482 -3.421 3.053 1.00 2.13 C ATOM 726 CG GLN A 46 -13.097 -3.470 4.528 1.00 73.34 C ATOM 727 CD GLN A 46 -14.192 -2.930 5.430 1.00 22.34 C ATOM 728 OE1 GLN A 46 -14.236 -1.743 5.733 1.00 12.45 O ATOM 729 NE2 GLN A 46 -15.085 -3.795 5.864 1.00 4.24 N ATOM 0 H GLN A 46 -13.731 -3.356 0.606 1.00 72.43 H new ATOM 0 HA GLN A 46 -11.477 -3.447 2.253 1.00 11.02 H new ATOM 0 HB2 GLN A 46 -13.684 -2.387 2.774 1.00 2.13 H new ATOM 0 HB3 GLN A 46 -14.409 -3.976 2.911 1.00 2.13 H new ATOM 0 HG2 GLN A 46 -12.874 -4.499 4.808 1.00 73.34 H new ATOM 0 HG3 GLN A 46 -12.185 -2.893 4.682 1.00 73.34 H new ATOM 0 HE21 GLN A 46 -15.019 -4.776 5.592 1.00 4.24 H new ATOM 0 HE22 GLN A 46 -15.843 -3.484 6.472 1.00 4.24 H new ATOM 738 N SER A 47 -12.998 -6.367 1.967 1.00 34.31 N ATOM 739 CA SER A 47 -12.808 -7.810 2.200 1.00 32.21 C ATOM 740 C SER A 47 -11.491 -8.308 1.585 1.00 1.50 C ATOM 741 O SER A 47 -10.768 -9.098 2.196 1.00 32.32 O ATOM 742 CB SER A 47 -13.991 -8.614 1.646 1.00 23.42 C ATOM 743 OG SER A 47 -15.191 -8.316 2.350 1.00 41.24 O ATOM 0 H SER A 47 -13.822 -6.132 1.414 1.00 34.31 H new ATOM 0 HA SER A 47 -12.758 -7.963 3.278 1.00 32.21 H new ATOM 0 HB2 SER A 47 -14.122 -8.390 0.587 1.00 23.42 H new ATOM 0 HB3 SER A 47 -13.777 -9.680 1.722 1.00 23.42 H new ATOM 0 HG SER A 47 -15.929 -8.841 1.975 1.00 41.24 H new ATOM 749 N MET A 48 -11.187 -7.847 0.368 1.00 2.43 N ATOM 750 CA MET A 48 -9.885 -8.114 -0.259 1.00 54.51 C ATOM 751 C MET A 48 -8.736 -7.607 0.627 1.00 13.51 C ATOM 752 O MET A 48 -7.771 -8.326 0.877 1.00 31.43 O ATOM 753 CB MET A 48 -9.806 -7.450 -1.642 1.00 73.32 C ATOM 754 CG MET A 48 -10.668 -8.123 -2.704 1.00 23.24 C ATOM 755 SD MET A 48 -10.102 -9.790 -3.105 1.00 51.33 S ATOM 756 CE MET A 48 -8.455 -9.454 -3.726 1.00 65.44 C ATOM 0 H MET A 48 -11.821 -7.288 -0.203 1.00 2.43 H new ATOM 0 HA MET A 48 -9.786 -9.193 -0.377 1.00 54.51 H new ATOM 0 HB2 MET A 48 -10.109 -6.407 -1.551 1.00 73.32 H new ATOM 0 HB3 MET A 48 -8.768 -7.452 -1.976 1.00 73.32 H new ATOM 0 HG2 MET A 48 -11.699 -8.168 -2.354 1.00 23.24 H new ATOM 0 HG3 MET A 48 -10.664 -7.515 -3.609 1.00 23.24 H new ATOM 0 HE1 MET A 48 -8.360 -9.849 -4.738 1.00 65.44 H new ATOM 0 HE2 MET A 48 -8.284 -8.378 -3.739 1.00 65.44 H new ATOM 0 HE3 MET A 48 -7.718 -9.931 -3.080 1.00 65.44 H new ATOM 766 N ILE A 49 -8.860 -6.372 1.113 1.00 1.33 N ATOM 767 CA ILE A 49 -7.839 -5.771 1.983 1.00 40.13 C ATOM 768 C ILE A 49 -7.633 -6.598 3.264 1.00 73.55 C ATOM 769 O ILE A 49 -6.503 -6.926 3.626 1.00 32.54 O ATOM 770 CB ILE A 49 -8.219 -4.316 2.368 1.00 41.33 C ATOM 771 CG1 ILE A 49 -8.395 -3.458 1.104 1.00 12.12 C ATOM 772 CG2 ILE A 49 -7.162 -3.704 3.292 1.00 14.13 C ATOM 773 CD1 ILE A 49 -8.865 -2.043 1.379 1.00 3.34 C ATOM 0 H ILE A 49 -9.657 -5.765 0.921 1.00 1.33 H new ATOM 0 HA ILE A 49 -6.907 -5.761 1.418 1.00 40.13 H new ATOM 0 HB ILE A 49 -9.166 -4.339 2.907 1.00 41.33 H new ATOM 0 HG12 ILE A 49 -7.446 -3.417 0.570 1.00 12.12 H new ATOM 0 HG13 ILE A 49 -9.112 -3.946 0.443 1.00 12.12 H new ATOM 0 HG21 ILE A 49 -7.449 -2.684 3.549 1.00 14.13 H new ATOM 0 HG22 ILE A 49 -7.086 -4.299 4.202 1.00 14.13 H new ATOM 0 HG23 ILE A 49 -6.198 -3.692 2.784 1.00 14.13 H new ATOM 0 HD11 ILE A 49 -8.965 -1.503 0.437 1.00 3.34 H new ATOM 0 HD12 ILE A 49 -9.830 -2.072 1.884 1.00 3.34 H new ATOM 0 HD13 ILE A 49 -8.138 -1.535 2.013 1.00 3.34 H new ATOM 785 N SER A 50 -8.737 -6.938 3.934 1.00 24.11 N ATOM 786 CA SER A 50 -8.695 -7.737 5.174 1.00 13.10 C ATOM 787 C SER A 50 -8.008 -9.090 4.960 1.00 55.52 C ATOM 788 O SER A 50 -7.290 -9.585 5.830 1.00 72.11 O ATOM 789 CB SER A 50 -10.115 -7.980 5.708 1.00 53.14 C ATOM 790 OG SER A 50 -10.101 -8.813 6.862 1.00 60.42 O ATOM 0 H SER A 50 -9.678 -6.674 3.642 1.00 24.11 H new ATOM 0 HA SER A 50 -8.117 -7.164 5.899 1.00 13.10 H new ATOM 0 HB2 SER A 50 -10.582 -7.026 5.952 1.00 53.14 H new ATOM 0 HB3 SER A 50 -10.723 -8.443 4.931 1.00 53.14 H new ATOM 0 HG SER A 50 -11.018 -8.948 7.179 1.00 60.42 H new ATOM 796 N SER A 51 -8.229 -9.686 3.800 1.00 23.13 N ATOM 797 CA SER A 51 -7.666 -11.003 3.493 1.00 10.22 C ATOM 798 C SER A 51 -6.184 -10.906 3.091 1.00 4.03 C ATOM 799 O SER A 51 -5.341 -11.663 3.580 1.00 22.54 O ATOM 800 CB SER A 51 -8.476 -11.659 2.369 1.00 54.13 C ATOM 801 OG SER A 51 -8.142 -13.029 2.217 1.00 65.51 O ATOM 0 H SER A 51 -8.793 -9.284 3.051 1.00 23.13 H new ATOM 0 HA SER A 51 -7.724 -11.615 4.393 1.00 10.22 H new ATOM 0 HB2 SER A 51 -9.540 -11.565 2.584 1.00 54.13 H new ATOM 0 HB3 SER A 51 -8.292 -11.133 1.432 1.00 54.13 H new ATOM 0 HG SER A 51 -7.776 -13.179 1.320 1.00 65.51 H new ATOM 807 N ILE A 52 -5.869 -9.953 2.215 1.00 13.54 N ATOM 808 CA ILE A 52 -4.504 -9.784 1.700 1.00 24.22 C ATOM 809 C ILE A 52 -3.533 -9.256 2.775 1.00 50.04 C ATOM 810 O ILE A 52 -2.358 -9.623 2.783 1.00 2.04 O ATOM 811 CB ILE A 52 -4.483 -8.849 0.461 1.00 73.55 C ATOM 812 CG1 ILE A 52 -5.321 -9.462 -0.674 1.00 34.15 C ATOM 813 CG2 ILE A 52 -3.050 -8.581 -0.008 1.00 42.33 C ATOM 814 CD1 ILE A 52 -5.390 -8.607 -1.923 1.00 23.11 C ATOM 0 H ILE A 52 -6.541 -9.282 1.844 1.00 13.54 H new ATOM 0 HA ILE A 52 -4.162 -10.775 1.402 1.00 24.22 H new ATOM 0 HB ILE A 52 -4.920 -7.892 0.746 1.00 73.55 H new ATOM 0 HG12 ILE A 52 -4.904 -10.434 -0.935 1.00 34.15 H new ATOM 0 HG13 ILE A 52 -6.333 -9.637 -0.310 1.00 34.15 H new ATOM 0 HG21 ILE A 52 -3.069 -7.923 -0.877 1.00 42.33 H new ATOM 0 HG22 ILE A 52 -2.487 -8.105 0.795 1.00 42.33 H new ATOM 0 HG23 ILE A 52 -2.573 -9.523 -0.277 1.00 42.33 H new ATOM 0 HD11 ILE A 52 -5.999 -9.109 -2.675 1.00 23.11 H new ATOM 0 HD12 ILE A 52 -5.836 -7.643 -1.680 1.00 23.11 H new ATOM 0 HD13 ILE A 52 -4.384 -8.453 -2.314 1.00 23.11 H new ATOM 826 N VAL A 53 -4.021 -8.413 3.689 1.00 55.12 N ATOM 827 CA VAL A 53 -3.173 -7.890 4.774 1.00 0.14 C ATOM 828 C VAL A 53 -2.626 -9.033 5.657 1.00 12.32 C ATOM 829 O VAL A 53 -1.617 -8.876 6.345 1.00 64.31 O ATOM 830 CB VAL A 53 -3.934 -6.863 5.659 1.00 13.31 C ATOM 831 CG1 VAL A 53 -5.040 -7.538 6.467 1.00 53.44 C ATOM 832 CG2 VAL A 53 -2.968 -6.104 6.571 1.00 11.43 C ATOM 0 H VAL A 53 -4.985 -8.079 3.704 1.00 55.12 H new ATOM 0 HA VAL A 53 -2.336 -7.379 4.298 1.00 0.14 H new ATOM 0 HB VAL A 53 -4.407 -6.139 4.996 1.00 13.31 H new ATOM 0 HG11 VAL A 53 -5.553 -6.793 7.075 1.00 53.44 H new ATOM 0 HG12 VAL A 53 -5.753 -8.005 5.788 1.00 53.44 H new ATOM 0 HG13 VAL A 53 -4.605 -8.298 7.115 1.00 53.44 H new ATOM 0 HG21 VAL A 53 -3.526 -5.392 7.179 1.00 11.43 H new ATOM 0 HG22 VAL A 53 -2.451 -6.810 7.221 1.00 11.43 H new ATOM 0 HG23 VAL A 53 -2.238 -5.569 5.963 1.00 11.43 H new ATOM 842 N ASN A 54 -3.304 -10.182 5.627 1.00 2.14 N ATOM 843 CA ASN A 54 -2.826 -11.388 6.315 1.00 5.12 C ATOM 844 C ASN A 54 -2.046 -12.307 5.355 1.00 52.32 C ATOM 845 O ASN A 54 -1.049 -12.921 5.741 1.00 41.41 O ATOM 846 CB ASN A 54 -4.001 -12.157 6.932 1.00 4.44 C ATOM 847 CG ASN A 54 -4.657 -11.401 8.078 1.00 42.34 C ATOM 848 OD1 ASN A 54 -4.244 -11.517 9.225 1.00 42.12 O ATOM 849 ND2 ASN A 54 -5.685 -10.632 7.787 1.00 45.30 N ATOM 0 H ASN A 54 -4.188 -10.305 5.133 1.00 2.14 H new ATOM 0 HA ASN A 54 -2.151 -11.069 7.110 1.00 5.12 H new ATOM 0 HB2 ASN A 54 -4.745 -12.357 6.161 1.00 4.44 H new ATOM 0 HB3 ASN A 54 -3.649 -13.123 7.293 1.00 4.44 H new ATOM 0 HD21 ASN A 54 -6.159 -10.113 8.526 1.00 45.30 H new ATOM 0 HD22 ASN A 54 -6.007 -10.555 6.822 1.00 45.30 H new ATOM 856 N SER A 55 -2.516 -12.403 4.105 1.00 24.50 N ATOM 857 CA SER A 55 -1.870 -13.247 3.077 1.00 72.14 C ATOM 858 C SER A 55 -1.867 -14.736 3.470 1.00 73.41 C ATOM 859 O SER A 55 -1.062 -15.513 2.959 1.00 14.04 O ATOM 860 CB SER A 55 -0.420 -12.789 2.811 1.00 20.11 C ATOM 861 OG SER A 55 -0.360 -11.464 2.303 1.00 44.13 O ATOM 0 H SER A 55 -3.344 -11.907 3.775 1.00 24.50 H new ATOM 0 HA SER A 55 -2.459 -13.131 2.168 1.00 72.14 H new ATOM 0 HB2 SER A 55 0.153 -12.848 3.736 1.00 20.11 H new ATOM 0 HB3 SER A 55 0.050 -13.470 2.101 1.00 20.11 H new ATOM 0 HG SER A 55 -1.182 -10.985 2.540 1.00 44.13 H new ATOM 867 N THR A 56 -2.780 -15.132 4.358 1.00 0.34 N ATOM 868 CA THR A 56 -2.836 -16.520 4.857 1.00 34.50 C ATOM 869 C THR A 56 -2.876 -17.564 3.722 1.00 54.10 C ATOM 870 O THR A 56 -2.035 -18.468 3.668 1.00 64.32 O ATOM 871 CB THR A 56 -4.046 -16.741 5.803 1.00 64.31 C ATOM 872 OG1 THR A 56 -4.179 -18.134 6.109 1.00 74.03 O ATOM 873 CG2 THR A 56 -5.347 -16.223 5.191 1.00 55.04 C ATOM 0 H THR A 56 -3.493 -14.517 4.750 1.00 0.34 H new ATOM 0 HA THR A 56 -1.912 -16.666 5.416 1.00 34.50 H new ATOM 0 HB THR A 56 -3.857 -16.178 6.717 1.00 64.31 H new ATOM 0 HG1 THR A 56 -4.853 -18.535 5.521 1.00 74.03 H new ATOM 0 HG21 THR A 56 -6.170 -16.397 5.885 1.00 55.04 H new ATOM 0 HG22 THR A 56 -5.257 -15.155 4.995 1.00 55.04 H new ATOM 0 HG23 THR A 56 -5.544 -16.748 4.256 1.00 55.04 H new ATOM 881 N TYR A 57 -3.838 -17.435 2.810 1.00 22.53 N ATOM 882 CA TYR A 57 -3.961 -18.364 1.678 1.00 34.43 C ATOM 883 C TYR A 57 -3.983 -17.611 0.343 1.00 13.42 C ATOM 884 O TYR A 57 -5.048 -17.287 -0.183 1.00 31.45 O ATOM 885 CB TYR A 57 -5.224 -19.230 1.823 1.00 62.24 C ATOM 886 CG TYR A 57 -5.260 -20.041 3.106 1.00 74.22 C ATOM 887 CD1 TYR A 57 -4.360 -21.078 3.315 1.00 13.12 C ATOM 888 CD2 TYR A 57 -6.181 -19.761 4.112 1.00 12.42 C ATOM 889 CE1 TYR A 57 -4.376 -21.813 4.484 1.00 74.30 C ATOM 890 CE2 TYR A 57 -6.201 -20.492 5.284 1.00 5.34 C ATOM 891 CZ TYR A 57 -5.296 -21.516 5.465 1.00 0.51 C ATOM 892 OH TYR A 57 -5.307 -22.245 6.633 1.00 63.53 O ATOM 0 H TYR A 57 -4.544 -16.699 2.829 1.00 22.53 H new ATOM 0 HA TYR A 57 -3.087 -19.015 1.685 1.00 34.43 H new ATOM 0 HB2 TYR A 57 -6.103 -18.586 1.785 1.00 62.24 H new ATOM 0 HB3 TYR A 57 -5.289 -19.908 0.972 1.00 62.24 H new ATOM 0 HD1 TYR A 57 -3.635 -21.314 2.550 1.00 13.12 H new ATOM 0 HD2 TYR A 57 -6.891 -18.959 3.974 1.00 12.42 H new ATOM 0 HE1 TYR A 57 -3.670 -22.617 4.628 1.00 74.30 H new ATOM 0 HE2 TYR A 57 -6.922 -20.262 6.055 1.00 5.34 H new ATOM 0 HH TYR A 57 -6.015 -21.909 7.222 1.00 63.53 H new ATOM 902 N TYR A 58 -2.796 -17.313 -0.187 1.00 30.11 N ATOM 903 CA TYR A 58 -2.668 -16.600 -1.465 1.00 11.42 C ATOM 904 C TYR A 58 -1.481 -17.111 -2.296 1.00 52.24 C ATOM 905 O TYR A 58 -1.675 -17.697 -3.361 1.00 25.22 O ATOM 906 CB TYR A 58 -2.526 -15.082 -1.232 1.00 13.15 C ATOM 907 CG TYR A 58 -3.846 -14.369 -1.003 1.00 71.31 C ATOM 908 CD1 TYR A 58 -4.616 -13.937 -2.078 1.00 42.31 C ATOM 909 CD2 TYR A 58 -4.329 -14.138 0.281 1.00 34.22 C ATOM 910 CE1 TYR A 58 -5.822 -13.296 -1.884 1.00 33.20 C ATOM 911 CE2 TYR A 58 -5.538 -13.498 0.482 1.00 4.41 C ATOM 912 CZ TYR A 58 -6.279 -13.080 -0.605 1.00 10.23 C ATOM 913 OH TYR A 58 -7.485 -12.445 -0.408 1.00 42.32 O ATOM 0 H TYR A 58 -1.905 -17.554 0.248 1.00 30.11 H new ATOM 0 HA TYR A 58 -3.580 -16.795 -2.028 1.00 11.42 H new ATOM 0 HB2 TYR A 58 -1.880 -14.916 -0.370 1.00 13.15 H new ATOM 0 HB3 TYR A 58 -2.029 -14.637 -2.094 1.00 13.15 H new ATOM 0 HD1 TYR A 58 -4.263 -14.107 -3.084 1.00 42.31 H new ATOM 0 HD2 TYR A 58 -3.751 -14.463 1.133 1.00 34.22 H new ATOM 0 HE1 TYR A 58 -6.404 -12.966 -2.732 1.00 33.20 H new ATOM 0 HE2 TYR A 58 -5.901 -13.326 1.485 1.00 4.41 H new ATOM 0 HH TYR A 58 -8.082 -12.635 -1.162 1.00 42.32 H new ATOM 923 N ALA A 59 -0.258 -16.892 -1.793 1.00 22.00 N ATOM 924 CA ALA A 59 0.980 -17.178 -2.543 1.00 31.24 C ATOM 925 C ALA A 59 1.112 -16.256 -3.770 1.00 73.41 C ATOM 926 O ALA A 59 2.061 -15.478 -3.881 1.00 35.23 O ATOM 927 CB ALA A 59 1.052 -18.652 -2.946 1.00 64.21 C ATOM 0 H ALA A 59 -0.096 -16.514 -0.860 1.00 22.00 H new ATOM 0 HA ALA A 59 1.824 -16.974 -1.884 1.00 31.24 H new ATOM 0 HB1 ALA A 59 1.975 -18.834 -3.497 1.00 64.21 H new ATOM 0 HB2 ALA A 59 1.035 -19.275 -2.052 1.00 64.21 H new ATOM 0 HB3 ALA A 59 0.198 -18.899 -3.577 1.00 64.21 H new ATOM 933 N ASN A 60 0.157 -16.353 -4.692 1.00 65.20 N ATOM 934 CA ASN A 60 0.066 -15.435 -5.830 1.00 61.14 C ATOM 935 C ASN A 60 -0.766 -14.192 -5.451 1.00 24.21 C ATOM 936 O ASN A 60 -1.016 -13.942 -4.269 1.00 1.04 O ATOM 937 CB ASN A 60 -0.563 -16.160 -7.025 1.00 52.04 C ATOM 938 CG ASN A 60 0.127 -17.481 -7.324 1.00 21.44 C ATOM 939 OD1 ASN A 60 -0.278 -18.535 -6.840 1.00 12.24 O ATOM 940 ND2 ASN A 60 1.184 -17.437 -8.109 1.00 44.42 N ATOM 0 H ASN A 60 -0.573 -17.065 -4.674 1.00 65.20 H new ATOM 0 HA ASN A 60 1.067 -15.103 -6.104 1.00 61.14 H new ATOM 0 HB2 ASN A 60 -1.619 -16.341 -6.823 1.00 52.04 H new ATOM 0 HB3 ASN A 60 -0.512 -15.518 -7.905 1.00 52.04 H new ATOM 0 HD21 ASN A 60 1.691 -18.294 -8.330 1.00 44.42 H new ATOM 0 HD22 ASN A 60 1.495 -16.546 -8.495 1.00 44.42 H new ATOM 947 N VAL A 61 -1.180 -13.405 -6.445 1.00 14.51 N ATOM 948 CA VAL A 61 -1.987 -12.204 -6.189 1.00 71.53 C ATOM 949 C VAL A 61 -2.756 -11.742 -7.441 1.00 70.31 C ATOM 950 O VAL A 61 -2.299 -11.922 -8.570 1.00 52.31 O ATOM 951 CB VAL A 61 -1.103 -11.038 -5.668 1.00 73.03 C ATOM 952 CG1 VAL A 61 -0.072 -10.617 -6.717 1.00 24.11 C ATOM 953 CG2 VAL A 61 -1.965 -9.852 -5.230 1.00 3.01 C ATOM 0 H VAL A 61 -0.973 -13.573 -7.430 1.00 14.51 H new ATOM 0 HA VAL A 61 -2.714 -12.478 -5.424 1.00 71.53 H new ATOM 0 HB VAL A 61 -0.558 -11.394 -4.794 1.00 73.03 H new ATOM 0 HG11 VAL A 61 0.533 -9.799 -6.325 1.00 24.11 H new ATOM 0 HG12 VAL A 61 0.572 -11.464 -6.954 1.00 24.11 H new ATOM 0 HG13 VAL A 61 -0.586 -10.288 -7.620 1.00 24.11 H new ATOM 0 HG21 VAL A 61 -1.322 -9.049 -4.869 1.00 3.01 H new ATOM 0 HG22 VAL A 61 -2.551 -9.495 -6.077 1.00 3.01 H new ATOM 0 HG23 VAL A 61 -2.637 -10.166 -4.431 1.00 3.01 H new ATOM 963 N SER A 62 -3.935 -11.156 -7.227 1.00 62.23 N ATOM 964 CA SER A 62 -4.733 -10.580 -8.321 1.00 52.02 C ATOM 965 C SER A 62 -4.174 -9.220 -8.765 1.00 55.41 C ATOM 966 O SER A 62 -3.800 -8.388 -7.934 1.00 72.32 O ATOM 967 CB SER A 62 -6.198 -10.408 -7.892 1.00 34.21 C ATOM 968 OG SER A 62 -6.799 -11.653 -7.571 1.00 51.21 O ATOM 0 H SER A 62 -4.363 -11.066 -6.306 1.00 62.23 H new ATOM 0 HA SER A 62 -4.679 -11.273 -9.160 1.00 52.02 H new ATOM 0 HB2 SER A 62 -6.249 -9.745 -7.028 1.00 34.21 H new ATOM 0 HB3 SER A 62 -6.759 -9.929 -8.695 1.00 34.21 H new ATOM 0 HG SER A 62 -7.730 -11.507 -7.301 1.00 51.21 H new ATOM 974 N ALA A 63 -4.153 -8.987 -10.079 1.00 42.34 N ATOM 975 CA ALA A 63 -3.614 -7.745 -10.654 1.00 54.20 C ATOM 976 C ALA A 63 -4.294 -6.483 -10.090 1.00 22.13 C ATOM 977 O ALA A 63 -3.670 -5.423 -9.995 1.00 55.21 O ATOM 978 CB ALA A 63 -3.748 -7.776 -12.171 1.00 35.44 C ATOM 0 H ALA A 63 -4.505 -9.646 -10.773 1.00 42.34 H new ATOM 0 HA ALA A 63 -2.562 -7.692 -10.373 1.00 54.20 H new ATOM 0 HB1 ALA A 63 -3.347 -6.853 -12.591 1.00 35.44 H new ATOM 0 HB2 ALA A 63 -3.193 -8.626 -12.568 1.00 35.44 H new ATOM 0 HB3 ALA A 63 -4.800 -7.871 -12.442 1.00 35.44 H new ATOM 984 N ALA A 64 -5.571 -6.603 -9.718 1.00 4.43 N ATOM 985 CA ALA A 64 -6.328 -5.484 -9.130 1.00 54.31 C ATOM 986 C ALA A 64 -5.605 -4.873 -7.916 1.00 42.41 C ATOM 987 O ALA A 64 -5.691 -3.668 -7.670 1.00 52.31 O ATOM 988 CB ALA A 64 -7.724 -5.948 -8.731 1.00 51.40 C ATOM 0 H ALA A 64 -6.108 -7.465 -9.812 1.00 4.43 H new ATOM 0 HA ALA A 64 -6.407 -4.706 -9.890 1.00 54.31 H new ATOM 0 HB1 ALA A 64 -8.275 -5.113 -8.298 1.00 51.40 H new ATOM 0 HB2 ALA A 64 -8.252 -6.313 -9.612 1.00 51.40 H new ATOM 0 HB3 ALA A 64 -7.645 -6.750 -7.998 1.00 51.40 H new ATOM 994 N LYS A 65 -4.883 -5.712 -7.169 1.00 42.22 N ATOM 995 CA LYS A 65 -4.109 -5.256 -6.006 1.00 71.41 C ATOM 996 C LYS A 65 -3.047 -4.219 -6.411 1.00 22.14 C ATOM 997 O LYS A 65 -2.709 -3.329 -5.628 1.00 55.33 O ATOM 998 CB LYS A 65 -3.431 -6.455 -5.318 1.00 1.52 C ATOM 999 CG LYS A 65 -2.503 -6.100 -4.144 1.00 71.04 C ATOM 1000 CD LYS A 65 -3.254 -5.847 -2.828 1.00 34.40 C ATOM 1001 CE LYS A 65 -4.046 -4.543 -2.826 1.00 72.42 C ATOM 1002 NZ LYS A 65 -3.170 -3.357 -3.021 1.00 40.32 N ATOM 0 H LYS A 65 -4.817 -6.714 -7.348 1.00 42.22 H new ATOM 0 HA LYS A 65 -4.800 -4.781 -5.310 1.00 71.41 H new ATOM 0 HB2 LYS A 65 -4.206 -7.131 -4.956 1.00 1.52 H new ATOM 0 HB3 LYS A 65 -2.854 -7.002 -6.063 1.00 1.52 H new ATOM 0 HG2 LYS A 65 -1.789 -6.911 -3.997 1.00 71.04 H new ATOM 0 HG3 LYS A 65 -1.927 -5.211 -4.402 1.00 71.04 H new ATOM 0 HD2 LYS A 65 -3.935 -6.678 -2.641 1.00 34.40 H new ATOM 0 HD3 LYS A 65 -2.538 -5.830 -2.006 1.00 34.40 H new ATOM 0 HE2 LYS A 65 -4.796 -4.573 -3.617 1.00 72.42 H new ATOM 0 HE3 LYS A 65 -4.582 -4.446 -1.882 1.00 72.42 H new ATOM 0 HZ1 LYS A 65 -3.412 -2.628 -2.320 1.00 40.32 H new ATOM 0 HZ2 LYS A 65 -2.176 -3.636 -2.900 1.00 40.32 H new ATOM 0 HZ3 LYS A 65 -3.309 -2.976 -3.979 1.00 40.32 H new ATOM 1016 N CYS A 66 -2.525 -4.346 -7.628 1.00 10.44 N ATOM 1017 CA CYS A 66 -1.481 -3.439 -8.125 1.00 74.12 C ATOM 1018 C CYS A 66 -2.065 -2.302 -8.978 1.00 54.05 C ATOM 1019 O CYS A 66 -1.624 -1.160 -8.882 1.00 22.13 O ATOM 1020 CB CYS A 66 -0.448 -4.216 -8.950 1.00 71.55 C ATOM 1021 SG CYS A 66 0.900 -3.195 -9.593 1.00 40.00 S ATOM 0 H CYS A 66 -2.805 -5.067 -8.293 1.00 10.44 H new ATOM 0 HA CYS A 66 -1.000 -2.996 -7.253 1.00 74.12 H new ATOM 0 HB2 CYS A 66 -0.026 -5.009 -8.332 1.00 71.55 H new ATOM 0 HB3 CYS A 66 -0.955 -4.699 -9.786 1.00 71.55 H new ATOM 0 HG CYS A 66 1.721 -3.939 -10.273 1.00 40.00 H new ATOM 1027 N GLN A 67 -3.063 -2.620 -9.802 1.00 44.53 N ATOM 1028 CA GLN A 67 -3.647 -1.647 -10.743 1.00 2.24 C ATOM 1029 C GLN A 67 -4.239 -0.407 -10.039 1.00 34.10 C ATOM 1030 O GLN A 67 -3.674 0.687 -10.106 1.00 22.03 O ATOM 1031 CB GLN A 67 -4.723 -2.329 -11.603 1.00 34.41 C ATOM 1032 CG GLN A 67 -4.170 -3.350 -12.594 1.00 72.22 C ATOM 1033 CD GLN A 67 -5.256 -4.056 -13.392 1.00 3.32 C ATOM 1034 OE1 GLN A 67 -4.972 -5.265 -13.834 1.00 34.34 O flip ATOM 1035 NE2 GLN A 67 -6.329 -3.510 -13.630 1.00 73.24 N flip ATOM 0 H GLN A 67 -3.490 -3.546 -9.842 1.00 44.53 H new ATOM 0 HA GLN A 67 -2.834 -1.291 -11.376 1.00 2.24 H new ATOM 0 HB2 GLN A 67 -5.438 -2.825 -10.946 1.00 34.41 H new ATOM 0 HB3 GLN A 67 -5.272 -1.565 -12.153 1.00 34.41 H new ATOM 0 HG2 GLN A 67 -3.490 -2.848 -13.282 1.00 72.22 H new ATOM 0 HG3 GLN A 67 -3.584 -4.093 -12.052 1.00 72.22 H new ATOM 0 HE21 GLN A 67 -6.515 -2.573 -13.272 1.00 73.24 H new ATOM 0 HE22 GLN A 67 -7.035 -3.993 -14.186 1.00 73.24 H new ATOM 1044 N GLU A 68 -5.380 -0.579 -9.368 1.00 42.14 N ATOM 1045 CA GLU A 68 -6.066 0.544 -8.704 1.00 61.11 C ATOM 1046 C GLU A 68 -5.198 1.187 -7.611 1.00 75.31 C ATOM 1047 O GLU A 68 -5.147 2.414 -7.479 1.00 0.32 O ATOM 1048 CB GLU A 68 -7.407 0.079 -8.115 1.00 72.31 C ATOM 1049 CG GLU A 68 -8.467 -0.228 -9.170 1.00 52.43 C ATOM 1050 CD GLU A 68 -8.882 1.007 -9.960 1.00 3.03 C ATOM 1051 OE1 GLU A 68 -8.211 1.333 -10.963 1.00 72.14 O ATOM 1052 OE2 GLU A 68 -9.875 1.660 -9.577 1.00 22.51 O ATOM 0 H GLU A 68 -5.851 -1.478 -9.267 1.00 42.14 H new ATOM 0 HA GLU A 68 -6.252 1.305 -9.462 1.00 61.11 H new ATOM 0 HB2 GLU A 68 -7.239 -0.813 -7.511 1.00 72.31 H new ATOM 0 HB3 GLU A 68 -7.787 0.850 -7.445 1.00 72.31 H new ATOM 0 HG2 GLU A 68 -8.083 -0.982 -9.857 1.00 52.43 H new ATOM 0 HG3 GLU A 68 -9.344 -0.656 -8.685 1.00 52.43 H new ATOM 1059 N PHE A 69 -4.514 0.354 -6.834 1.00 2.22 N ATOM 1060 CA PHE A 69 -3.612 0.840 -5.784 1.00 50.54 C ATOM 1061 C PHE A 69 -2.456 1.659 -6.382 1.00 23.40 C ATOM 1062 O PHE A 69 -2.080 2.702 -5.847 1.00 22.14 O ATOM 1063 CB PHE A 69 -3.064 -0.340 -4.968 1.00 24.44 C ATOM 1064 CG PHE A 69 -2.105 0.065 -3.872 1.00 61.51 C ATOM 1065 CD1 PHE A 69 -2.573 0.636 -2.697 1.00 55.12 C ATOM 1066 CD2 PHE A 69 -0.736 -0.124 -4.020 1.00 52.01 C ATOM 1067 CE1 PHE A 69 -1.698 1.010 -1.695 1.00 3.40 C ATOM 1068 CE2 PHE A 69 0.141 0.249 -3.019 1.00 10.43 C ATOM 1069 CZ PHE A 69 -0.340 0.816 -1.856 1.00 41.44 C ATOM 0 H PHE A 69 -4.564 -0.662 -6.908 1.00 2.22 H new ATOM 0 HA PHE A 69 -4.181 1.494 -5.123 1.00 50.54 H new ATOM 0 HB2 PHE A 69 -3.900 -0.881 -4.524 1.00 24.44 H new ATOM 0 HB3 PHE A 69 -2.559 -1.031 -5.642 1.00 24.44 H new ATOM 0 HD1 PHE A 69 -3.634 0.790 -2.564 1.00 55.12 H new ATOM 0 HD2 PHE A 69 -0.353 -0.567 -4.927 1.00 52.01 H new ATOM 0 HE1 PHE A 69 -2.076 1.454 -0.786 1.00 3.40 H new ATOM 0 HE2 PHE A 69 1.203 0.097 -3.147 1.00 10.43 H new ATOM 0 HZ PHE A 69 0.345 1.107 -1.073 1.00 41.44 H new ATOM 1079 N GLY A 70 -1.901 1.178 -7.494 1.00 54.55 N ATOM 1080 CA GLY A 70 -0.815 1.883 -8.165 1.00 4.23 C ATOM 1081 C GLY A 70 -1.254 3.216 -8.759 1.00 35.12 C ATOM 1082 O GLY A 70 -0.522 4.204 -8.695 1.00 10.45 O ATOM 0 H GLY A 70 -2.185 0.308 -7.945 1.00 54.55 H new ATOM 0 HA2 GLY A 70 -0.007 2.056 -7.455 1.00 4.23 H new ATOM 0 HA3 GLY A 70 -0.413 1.252 -8.958 1.00 4.23 H new ATOM 1086 N ARG A 71 -2.456 3.241 -9.335 1.00 24.22 N ATOM 1087 CA ARG A 71 -3.025 4.470 -9.895 1.00 60.44 C ATOM 1088 C ARG A 71 -3.065 5.587 -8.838 1.00 34.12 C ATOM 1089 O ARG A 71 -2.661 6.721 -9.099 1.00 62.22 O ATOM 1090 CB ARG A 71 -4.436 4.183 -10.446 1.00 1.44 C ATOM 1091 CG ARG A 71 -5.103 5.368 -11.162 1.00 53.03 C ATOM 1092 CD ARG A 71 -5.885 6.276 -10.210 1.00 34.45 C ATOM 1093 NE ARG A 71 -6.445 7.439 -10.898 1.00 23.40 N ATOM 1094 CZ ARG A 71 -7.690 7.824 -10.805 1.00 1.13 C ATOM 1095 NH1 ARG A 71 -8.544 7.150 -10.101 1.00 54.02 N ATOM 1096 NH2 ARG A 71 -8.076 8.891 -11.426 1.00 40.11 N ATOM 0 H ARG A 71 -3.057 2.422 -9.427 1.00 24.22 H new ATOM 0 HA ARG A 71 -2.390 4.813 -10.712 1.00 60.44 H new ATOM 0 HB2 ARG A 71 -4.376 3.345 -11.140 1.00 1.44 H new ATOM 0 HB3 ARG A 71 -5.076 3.869 -9.621 1.00 1.44 H new ATOM 0 HG2 ARG A 71 -4.339 5.956 -11.670 1.00 53.03 H new ATOM 0 HG3 ARG A 71 -5.777 4.989 -11.930 1.00 53.03 H new ATOM 0 HD2 ARG A 71 -6.690 5.707 -9.746 1.00 34.45 H new ATOM 0 HD3 ARG A 71 -5.228 6.611 -9.407 1.00 34.45 H new ATOM 0 HE ARG A 71 -5.821 7.987 -11.491 1.00 23.40 H new ATOM 0 HH11 ARG A 71 -8.247 6.307 -9.610 1.00 54.02 H new ATOM 0 HH12 ARG A 71 -9.513 7.463 -10.038 1.00 54.02 H new ATOM 0 HH21 ARG A 71 -7.410 9.426 -11.984 1.00 40.11 H new ATOM 0 HH22 ARG A 71 -9.046 9.198 -11.358 1.00 40.11 H new ATOM 1110 N TRP A 72 -3.548 5.253 -7.641 1.00 2.33 N ATOM 1111 CA TRP A 72 -3.610 6.217 -6.536 1.00 51.24 C ATOM 1112 C TRP A 72 -2.213 6.516 -5.963 1.00 62.21 C ATOM 1113 O TRP A 72 -1.829 7.676 -5.813 1.00 43.12 O ATOM 1114 CB TRP A 72 -4.533 5.690 -5.424 1.00 70.21 C ATOM 1115 CG TRP A 72 -4.583 6.577 -4.208 1.00 3.31 C ATOM 1116 CD1 TRP A 72 -5.368 7.682 -4.023 1.00 23.24 C ATOM 1117 CD2 TRP A 72 -3.812 6.428 -3.003 1.00 74.43 C ATOM 1118 NE1 TRP A 72 -5.126 8.231 -2.786 1.00 21.23 N ATOM 1119 CE2 TRP A 72 -4.176 7.479 -2.143 1.00 4.34 C ATOM 1120 CE3 TRP A 72 -2.848 5.508 -2.574 1.00 50.45 C ATOM 1121 CZ2 TRP A 72 -3.610 7.636 -0.878 1.00 5.12 C ATOM 1122 CZ3 TRP A 72 -2.289 5.666 -1.320 1.00 74.51 C ATOM 1123 CH2 TRP A 72 -2.672 6.721 -0.483 1.00 53.22 C ATOM 0 H TRP A 72 -3.902 4.325 -7.410 1.00 2.33 H new ATOM 0 HA TRP A 72 -4.015 7.148 -6.932 1.00 51.24 H new ATOM 0 HB2 TRP A 72 -5.541 5.578 -5.823 1.00 70.21 H new ATOM 0 HB3 TRP A 72 -4.197 4.697 -5.125 1.00 70.21 H new ATOM 0 HD1 TRP A 72 -6.075 8.067 -4.743 1.00 23.24 H new ATOM 0 HE1 TRP A 72 -5.579 9.063 -2.408 1.00 21.23 H new ATOM 0 HE3 TRP A 72 -2.547 4.690 -3.211 1.00 50.45 H new ATOM 0 HZ2 TRP A 72 -3.902 8.451 -0.233 1.00 5.12 H new ATOM 0 HZ3 TRP A 72 -1.543 4.963 -0.980 1.00 74.51 H new ATOM 0 HH2 TRP A 72 -2.219 6.815 0.493 1.00 53.22 H new ATOM 1134 N TYR A 73 -1.457 5.461 -5.652 1.00 42.11 N ATOM 1135 CA TYR A 73 -0.140 5.604 -5.015 1.00 2.11 C ATOM 1136 C TYR A 73 0.833 6.428 -5.878 1.00 25.40 C ATOM 1137 O TYR A 73 1.471 7.357 -5.386 1.00 52.23 O ATOM 1138 CB TYR A 73 0.462 4.224 -4.706 1.00 51.10 C ATOM 1139 CG TYR A 73 1.828 4.287 -4.042 1.00 14.01 C ATOM 1140 CD1 TYR A 73 2.002 4.950 -2.829 1.00 63.41 C ATOM 1141 CD2 TYR A 73 2.945 3.700 -4.632 1.00 21.43 C ATOM 1142 CE1 TYR A 73 3.243 5.025 -2.226 1.00 43.01 C ATOM 1143 CE2 TYR A 73 4.190 3.773 -4.034 1.00 1.11 C ATOM 1144 CZ TYR A 73 4.333 4.438 -2.831 1.00 40.11 C ATOM 1145 OH TYR A 73 5.573 4.523 -2.235 1.00 32.52 O ATOM 0 H TYR A 73 -1.732 4.495 -5.830 1.00 42.11 H new ATOM 0 HA TYR A 73 -0.290 6.146 -4.081 1.00 2.11 H new ATOM 0 HB2 TYR A 73 -0.222 3.676 -4.058 1.00 51.10 H new ATOM 0 HB3 TYR A 73 0.545 3.658 -5.634 1.00 51.10 H new ATOM 0 HD1 TYR A 73 1.152 5.414 -2.351 1.00 63.41 H new ATOM 0 HD2 TYR A 73 2.837 3.179 -5.572 1.00 21.43 H new ATOM 0 HE1 TYR A 73 3.358 5.541 -1.285 1.00 43.01 H new ATOM 0 HE2 TYR A 73 5.046 3.313 -4.505 1.00 1.11 H new ATOM 0 HH TYR A 73 6.256 4.185 -2.851 1.00 32.52 H new ATOM 1155 N LYS A 74 0.938 6.091 -7.160 1.00 74.12 N ATOM 1156 CA LYS A 74 1.808 6.827 -8.088 1.00 1.02 C ATOM 1157 C LYS A 74 1.425 8.318 -8.139 1.00 50.00 C ATOM 1158 O LYS A 74 2.287 9.199 -8.092 1.00 32.32 O ATOM 1159 CB LYS A 74 1.724 6.199 -9.484 1.00 14.54 C ATOM 1160 CG LYS A 74 2.559 6.905 -10.550 1.00 1.40 C ATOM 1161 CD LYS A 74 2.522 6.148 -11.876 1.00 0.53 C ATOM 1162 CE LYS A 74 1.091 5.927 -12.364 1.00 41.04 C ATOM 1163 NZ LYS A 74 1.041 5.059 -13.566 1.00 51.43 N ATOM 0 H LYS A 74 0.433 5.313 -7.586 1.00 74.12 H new ATOM 0 HA LYS A 74 2.835 6.761 -7.730 1.00 1.02 H new ATOM 0 HB2 LYS A 74 2.044 5.159 -9.420 1.00 14.54 H new ATOM 0 HB3 LYS A 74 0.682 6.192 -9.803 1.00 14.54 H new ATOM 0 HG2 LYS A 74 2.184 7.918 -10.697 1.00 1.40 H new ATOM 0 HG3 LYS A 74 3.590 6.993 -10.208 1.00 1.40 H new ATOM 0 HD2 LYS A 74 3.080 6.705 -12.628 1.00 0.53 H new ATOM 0 HD3 LYS A 74 3.019 5.185 -11.759 1.00 0.53 H new ATOM 0 HE2 LYS A 74 0.502 5.475 -11.566 1.00 41.04 H new ATOM 0 HE3 LYS A 74 0.633 6.889 -12.593 1.00 41.04 H new ATOM 0 HZ1 LYS A 74 0.052 4.935 -13.864 1.00 51.43 H new ATOM 0 HZ2 LYS A 74 1.582 5.501 -14.336 1.00 51.43 H new ATOM 0 HZ3 LYS A 74 1.454 4.131 -13.342 1.00 51.43 H new ATOM 1177 N HIS A 75 0.124 8.590 -8.218 1.00 35.42 N ATOM 1178 CA HIS A 75 -0.388 9.965 -8.155 1.00 53.33 C ATOM 1179 C HIS A 75 -0.027 10.623 -6.811 1.00 73.42 C ATOM 1180 O HIS A 75 0.301 11.810 -6.750 1.00 61.24 O ATOM 1181 CB HIS A 75 -1.912 9.963 -8.347 1.00 52.43 C ATOM 1182 CG HIS A 75 -2.554 11.307 -8.170 1.00 4.52 C ATOM 1183 ND1 HIS A 75 -3.087 11.729 -6.973 1.00 25.10 N ATOM 1184 CD2 HIS A 75 -2.750 12.323 -9.043 1.00 21.20 C ATOM 1185 CE1 HIS A 75 -3.579 12.939 -7.113 1.00 21.12 C ATOM 1186 NE2 HIS A 75 -3.393 13.328 -8.358 1.00 61.10 N ATOM 0 H HIS A 75 -0.599 7.878 -8.326 1.00 35.42 H new ATOM 0 HA HIS A 75 0.076 10.543 -8.954 1.00 53.33 H new ATOM 0 HB2 HIS A 75 -2.141 9.592 -9.346 1.00 52.43 H new ATOM 0 HB3 HIS A 75 -2.356 9.264 -7.638 1.00 52.43 H new ATOM 0 HD2 HIS A 75 -2.457 12.341 -10.082 1.00 21.20 H new ATOM 0 HE1 HIS A 75 -4.056 13.518 -6.337 1.00 21.12 H new ATOM 0 HE2 HIS A 75 -3.678 14.226 -8.749 1.00 61.10 H new ATOM 1195 N PHE A 76 -0.089 9.829 -5.747 1.00 12.21 N ATOM 1196 CA PHE A 76 0.191 10.297 -4.386 1.00 33.43 C ATOM 1197 C PHE A 76 1.686 10.613 -4.183 1.00 22.12 C ATOM 1198 O PHE A 76 2.043 11.501 -3.404 1.00 5.13 O ATOM 1199 CB PHE A 76 -0.277 9.229 -3.385 1.00 2.05 C ATOM 1200 CG PHE A 76 -0.137 9.618 -1.934 1.00 13.33 C ATOM 1201 CD1 PHE A 76 -1.002 10.542 -1.362 1.00 13.24 C ATOM 1202 CD2 PHE A 76 0.854 9.055 -1.140 1.00 51.35 C ATOM 1203 CE1 PHE A 76 -0.884 10.893 -0.032 1.00 23.24 C ATOM 1204 CE2 PHE A 76 0.975 9.402 0.192 1.00 62.11 C ATOM 1205 CZ PHE A 76 0.106 10.324 0.746 1.00 70.11 C ATOM 0 H PHE A 76 -0.335 8.840 -5.800 1.00 12.21 H new ATOM 0 HA PHE A 76 -0.354 11.226 -4.219 1.00 33.43 H new ATOM 0 HB2 PHE A 76 -1.323 8.997 -3.585 1.00 2.05 H new ATOM 0 HB3 PHE A 76 0.291 8.315 -3.558 1.00 2.05 H new ATOM 0 HD1 PHE A 76 -1.777 10.992 -1.965 1.00 13.24 H new ATOM 0 HD2 PHE A 76 1.538 8.338 -1.569 1.00 51.35 H new ATOM 0 HE1 PHE A 76 -1.565 11.612 0.400 1.00 23.24 H new ATOM 0 HE2 PHE A 76 1.747 8.954 0.800 1.00 62.11 H new ATOM 0 HZ PHE A 76 0.201 10.599 1.786 1.00 70.11 H new ATOM 1215 N LYS A 77 2.558 9.876 -4.874 1.00 62.04 N ATOM 1216 CA LYS A 77 4.006 10.123 -4.805 1.00 63.52 C ATOM 1217 C LYS A 77 4.378 11.469 -5.446 1.00 2.11 C ATOM 1218 O LYS A 77 5.164 12.236 -4.895 1.00 44.41 O ATOM 1219 CB LYS A 77 4.792 9.003 -5.506 1.00 62.31 C ATOM 1220 CG LYS A 77 4.540 7.609 -4.946 1.00 71.05 C ATOM 1221 CD LYS A 77 5.440 6.563 -5.608 1.00 53.00 C ATOM 1222 CE LYS A 77 6.898 6.709 -5.177 1.00 1.24 C ATOM 1223 NZ LYS A 77 7.088 6.411 -3.730 1.00 4.32 N ATOM 0 H LYS A 77 2.292 9.105 -5.487 1.00 62.04 H new ATOM 0 HA LYS A 77 4.272 10.147 -3.748 1.00 63.52 H new ATOM 0 HB2 LYS A 77 4.538 9.006 -6.566 1.00 62.31 H new ATOM 0 HB3 LYS A 77 5.857 9.223 -5.433 1.00 62.31 H new ATOM 0 HG2 LYS A 77 4.715 7.612 -3.870 1.00 71.05 H new ATOM 0 HG3 LYS A 77 3.495 7.339 -5.098 1.00 71.05 H new ATOM 0 HD2 LYS A 77 5.084 5.565 -5.353 1.00 53.00 H new ATOM 0 HD3 LYS A 77 5.371 6.658 -6.692 1.00 53.00 H new ATOM 0 HE2 LYS A 77 7.519 6.038 -5.769 1.00 1.24 H new ATOM 0 HE3 LYS A 77 7.237 7.724 -5.385 1.00 1.24 H new ATOM 0 HZ1 LYS A 77 7.475 7.249 -3.251 1.00 4.32 H new ATOM 0 HZ2 LYS A 77 6.173 6.160 -3.304 1.00 4.32 H new ATOM 0 HZ3 LYS A 77 7.749 5.615 -3.623 1.00 4.32 H new ATOM 1237 N LYS A 78 3.814 11.735 -6.622 1.00 3.23 N ATOM 1238 CA LYS A 78 4.126 12.957 -7.373 1.00 31.12 C ATOM 1239 C LYS A 78 3.447 14.198 -6.763 1.00 11.33 C ATOM 1240 O LYS A 78 4.120 15.157 -6.387 1.00 51.02 O ATOM 1241 CB LYS A 78 3.707 12.791 -8.840 1.00 3.13 C ATOM 1242 CG LYS A 78 4.007 14.008 -9.710 1.00 61.45 C ATOM 1243 CD LYS A 78 3.682 13.758 -11.182 1.00 31.20 C ATOM 1244 CE LYS A 78 2.205 13.439 -11.404 1.00 33.41 C ATOM 1245 NZ LYS A 78 1.896 13.218 -12.844 1.00 33.11 N ATOM 0 H LYS A 78 3.138 11.123 -7.079 1.00 3.23 H new ATOM 0 HA LYS A 78 5.203 13.114 -7.317 1.00 31.12 H new ATOM 0 HB2 LYS A 78 4.218 11.923 -9.258 1.00 3.13 H new ATOM 0 HB3 LYS A 78 2.638 12.582 -8.881 1.00 3.13 H new ATOM 0 HG2 LYS A 78 3.430 14.860 -9.352 1.00 61.45 H new ATOM 0 HG3 LYS A 78 5.060 14.272 -9.612 1.00 61.45 H new ATOM 0 HD2 LYS A 78 3.953 14.638 -11.766 1.00 31.20 H new ATOM 0 HD3 LYS A 78 4.289 12.931 -11.550 1.00 31.20 H new ATOM 0 HE2 LYS A 78 1.936 12.550 -10.834 1.00 33.41 H new ATOM 0 HE3 LYS A 78 1.595 14.258 -11.023 1.00 33.41 H new ATOM 0 HZ1 LYS A 78 0.884 13.004 -12.953 1.00 33.11 H new ATOM 0 HZ2 LYS A 78 2.129 14.075 -13.385 1.00 33.11 H new ATOM 0 HZ3 LYS A 78 2.459 12.420 -13.201 1.00 33.11 H new