USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 817 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 102 TYR OH : rot 165:sc= 0.236 USER MOD Set 1.2: A 106 TYR OH : rot 40:sc= 0.248 USER MOD Set 2.1: A 64 HIS : no HE2:sc= -0.784 K(o=-3.4,f=-5.3) USER MOD Set 2.2: A 68 GLN :FLIP amide:sc= -2.6! C(o=-3.9!,f=-3.4!) USER MOD Set 3.1: A 23 TYR OH : rot -13:sc= 1.18! USER MOD Set 3.2: A 46 HIS : no HE2:sc= -1.39! C(o=-0.2!,f=-8.5!) USER MOD Set 4.1: A 29 HIS : no HE2:sc= -0.357 K(o=-0.34,f=-1.6) USER MOD Set 4.2: A 30 ASN : amide:sc= -0.397 X(o=-0.34,f=-0.12) USER MOD Set 4.3: A 33 THR OG1 : rot 180:sc= 0.415 USER MOD Single : A 16 CYS SG : rot 170:sc= -0.338 USER MOD Single : A 17 GLN : amide:sc= 1.15 K(o=1.2,f=-1.4) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -68:sc= 0.688 USER MOD Single : A 25 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.1) USER MOD Single : A 27 ASN : amide:sc= -0.227 K(o=-0.23,f=-5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 34 SER OG : rot -108:sc= 0.0182 USER MOD Single : A 42 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -8.68! C(o=-13!,f=-8.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= -0.505 (180deg=-1.74!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0978 X(o=-0.098,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.105 K(o=0.1,f=-2.3!) USER MOD Single : A 69 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.37) USER MOD Single : A 72 ASN : amide:sc= -5.62! C(o=-5.6!,f=-7.6!) USER MOD Single : A 76 LYS NZ :NH3+ 143:sc= 0.365 (180deg=0.00321) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 146:sc= -0.412 (180deg=-0.525) USER MOD Single : A 90 ASN : amide:sc= -0.983 K(o=-0.98,f=-3.7!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 149:sc= 0.164 USER MOD Single : A 101 THR OG1 : rot 81:sc= 0.0502 USER MOD Single : A 105 THR OG1 : rot -47:sc= 1.2 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 12.823 7.525 -1.381 1.00 0.00 N ATOM 99 CA ASP A 10 12.439 7.744 -2.771 1.00 0.00 C ATOM 100 C ASP A 10 12.158 6.418 -3.472 1.00 0.00 C ATOM 101 O ASP A 10 11.115 6.247 -4.102 1.00 0.00 O ATOM 102 CB ASP A 10 13.541 8.504 -3.512 1.00 0.00 C ATOM 103 CG ASP A 10 13.789 9.879 -2.926 1.00 0.00 C ATOM 104 OD1 ASP A 10 13.026 10.811 -3.257 1.00 0.00 O ATOM 105 OD2 ASP A 10 14.748 10.026 -2.139 1.00 0.00 O ATOM 0 HA ASP A 10 11.527 8.340 -2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.464 7.925 -3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.267 8.604 -4.562 1.00 0.00 H new ATOM 110 N ALA A 11 13.098 5.484 -3.359 1.00 0.00 N ATOM 111 CA ALA A 11 12.951 4.175 -3.982 1.00 0.00 C ATOM 112 C ALA A 11 11.551 3.613 -3.755 1.00 0.00 C ATOM 113 O ALA A 11 10.945 3.041 -4.662 1.00 0.00 O ATOM 114 CB ALA A 11 14.001 3.213 -3.443 1.00 0.00 C ATOM 0 H ALA A 11 13.968 5.610 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 11 13.098 4.293 -5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.880 2.239 -3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.996 3.601 -3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.880 3.109 -2.365 1.00 0.00 H new ATOM 120 N LEU A 12 11.043 3.778 -2.538 1.00 0.00 N ATOM 121 CA LEU A 12 9.714 3.285 -2.192 1.00 0.00 C ATOM 122 C LEU A 12 8.630 4.147 -2.833 1.00 0.00 C ATOM 123 O LEU A 12 7.835 3.664 -3.640 1.00 0.00 O ATOM 124 CB LEU A 12 9.535 3.268 -0.673 1.00 0.00 C ATOM 125 CG LEU A 12 8.278 2.570 -0.152 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.334 1.080 -0.448 1.00 0.00 C ATOM 127 CD2 LEU A 12 8.111 2.814 1.340 1.00 0.00 C ATOM 0 H LEU A 12 11.530 4.249 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 12 9.619 2.269 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.405 2.783 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.528 4.298 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 12 7.413 2.989 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.431 0.600 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.404 0.925 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.207 0.645 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.211 2.310 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.978 2.423 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.023 3.884 1.526 1.00 0.00 H new ATOM 139 N LEU A 13 8.606 5.425 -2.471 1.00 0.00 N ATOM 140 CA LEU A 13 7.622 6.355 -3.013 1.00 0.00 C ATOM 141 C LEU A 13 7.421 6.126 -4.507 1.00 0.00 C ATOM 142 O LEU A 13 6.293 6.136 -5.002 1.00 0.00 O ATOM 143 CB LEU A 13 8.062 7.798 -2.760 1.00 0.00 C ATOM 144 CG LEU A 13 7.116 8.887 -3.270 1.00 0.00 C ATOM 145 CD1 LEU A 13 5.942 9.061 -2.320 1.00 0.00 C ATOM 146 CD2 LEU A 13 7.862 10.202 -3.446 1.00 0.00 C ATOM 0 H LEU A 13 9.257 5.841 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 13 6.673 6.177 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.195 7.933 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.038 7.946 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 13 6.728 8.580 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.280 9.840 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.393 8.122 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.311 9.346 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.174 10.965 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.278 10.515 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.669 10.069 -4.166 1.00 0.00 H new ATOM 158 N LEU A 14 8.521 5.919 -5.222 1.00 0.00 N ATOM 159 CA LEU A 14 8.467 5.685 -6.660 1.00 0.00 C ATOM 160 C LEU A 14 7.740 4.381 -6.973 1.00 0.00 C ATOM 161 O LEU A 14 6.939 4.314 -7.905 1.00 0.00 O ATOM 162 CB LEU A 14 9.880 5.646 -7.244 1.00 0.00 C ATOM 163 CG LEU A 14 9.996 5.161 -8.690 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.254 6.099 -9.629 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.458 5.044 -9.098 1.00 0.00 C ATOM 0 H LEU A 14 9.462 5.908 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 14 7.914 6.507 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.305 6.648 -7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.494 5.001 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 14 9.539 4.174 -8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.348 5.738 -10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.201 6.133 -9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.681 7.099 -9.557 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.521 4.698 -10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.939 6.018 -9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.962 4.332 -8.445 1.00 0.00 H new ATOM 177 N TRP A 15 8.024 3.348 -6.187 1.00 0.00 N ATOM 178 CA TRP A 15 7.395 2.047 -6.378 1.00 0.00 C ATOM 179 C TRP A 15 5.879 2.182 -6.469 1.00 0.00 C ATOM 180 O TRP A 15 5.277 1.853 -7.491 1.00 0.00 O ATOM 181 CB TRP A 15 7.767 1.104 -5.233 1.00 0.00 C ATOM 182 CG TRP A 15 7.414 -0.328 -5.503 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.938 -1.133 -6.474 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.456 -1.121 -4.794 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.363 -2.380 -6.411 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.452 -2.399 -5.389 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.602 -0.879 -3.714 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.627 -3.426 -4.939 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.784 -1.899 -3.269 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.802 -3.160 -3.880 1.00 0.00 C ATOM 0 H TRP A 15 8.686 3.387 -5.412 1.00 0.00 H new ATOM 0 HA TRP A 15 7.761 1.630 -7.316 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.838 1.177 -5.045 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.261 1.430 -4.324 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.693 -0.834 -7.186 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.580 -3.164 -7.026 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.582 0.089 -3.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.638 -4.398 -5.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 4.119 -1.722 -2.436 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.152 -3.938 -3.508 1.00 0.00 H new ATOM 201 N CYS A 16 5.268 2.668 -5.395 1.00 0.00 N ATOM 202 CA CYS A 16 3.821 2.847 -5.353 1.00 0.00 C ATOM 203 C CYS A 16 3.327 3.575 -6.598 1.00 0.00 C ATOM 204 O CYS A 16 2.335 3.178 -7.209 1.00 0.00 O ATOM 205 CB CYS A 16 3.419 3.624 -4.099 1.00 0.00 C ATOM 206 SG CYS A 16 1.782 3.196 -3.459 1.00 0.00 S ATOM 0 H CYS A 16 5.752 2.945 -4.541 1.00 0.00 H new ATOM 0 HA CYS A 16 3.358 1.861 -5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.160 3.445 -3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.443 4.691 -4.322 1.00 0.00 H new ATOM 0 HG CYS A 16 1.621 3.732 -2.286 1.00 0.00 H new ATOM 212 N GLN A 17 4.026 4.644 -6.968 1.00 0.00 N ATOM 213 CA GLN A 17 3.656 5.429 -8.140 1.00 0.00 C ATOM 214 C GLN A 17 3.648 4.563 -9.395 1.00 0.00 C ATOM 215 O GLN A 17 2.783 4.711 -10.257 1.00 0.00 O ATOM 216 CB GLN A 17 4.622 6.601 -8.320 1.00 0.00 C ATOM 217 CG GLN A 17 4.366 7.754 -7.362 1.00 0.00 C ATOM 218 CD GLN A 17 5.493 8.767 -7.355 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.519 8.577 -8.009 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.309 9.852 -6.612 1.00 0.00 N ATOM 0 H GLN A 17 4.850 4.986 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 17 2.650 5.818 -7.983 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.643 6.244 -8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.549 6.967 -9.344 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.437 8.252 -7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.229 7.361 -6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.443 9.969 -6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.034 10.568 -6.567 1.00 0.00 H new ATOM 229 N MET A 18 4.618 3.660 -9.491 1.00 0.00 N ATOM 230 CA MET A 18 4.721 2.769 -10.641 1.00 0.00 C ATOM 231 C MET A 18 3.493 1.871 -10.746 1.00 0.00 C ATOM 232 O MET A 18 2.948 1.672 -11.832 1.00 0.00 O ATOM 233 CB MET A 18 5.986 1.914 -10.539 1.00 0.00 C ATOM 234 CG MET A 18 7.269 2.728 -10.506 1.00 0.00 C ATOM 235 SD MET A 18 7.942 3.033 -12.150 1.00 0.00 S ATOM 236 CE MET A 18 9.528 2.210 -12.026 1.00 0.00 C ATOM 0 H MET A 18 5.344 3.526 -8.787 1.00 0.00 H new ATOM 0 HA MET A 18 4.777 3.383 -11.540 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.930 1.303 -9.638 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.021 1.230 -11.387 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.077 3.681 -10.014 1.00 0.00 H new ATOM 0 HG3 MET A 18 8.012 2.203 -9.905 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.065 2.311 -12.969 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.112 2.664 -11.225 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.373 1.153 -11.808 1.00 0.00 H new ATOM 246 N LYS A 19 3.062 1.330 -9.611 1.00 0.00 N ATOM 247 CA LYS A 19 1.898 0.455 -9.574 1.00 0.00 C ATOM 248 C LYS A 19 0.611 1.251 -9.763 1.00 0.00 C ATOM 249 O LYS A 19 -0.141 1.020 -10.710 1.00 0.00 O ATOM 250 CB LYS A 19 1.849 -0.307 -8.248 1.00 0.00 C ATOM 251 CG LYS A 19 3.161 -0.979 -7.883 1.00 0.00 C ATOM 252 CD LYS A 19 3.609 -1.951 -8.963 1.00 0.00 C ATOM 253 CE LYS A 19 4.512 -3.036 -8.396 1.00 0.00 C ATOM 254 NZ LYS A 19 5.273 -3.738 -9.466 1.00 0.00 N ATOM 0 H LYS A 19 3.503 1.483 -8.704 1.00 0.00 H new ATOM 0 HA LYS A 19 1.986 -0.259 -10.393 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.571 0.384 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.066 -1.063 -8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.930 -0.221 -7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.048 -1.510 -6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.735 -2.409 -9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.138 -1.408 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.209 -2.593 -7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.910 -3.758 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.877 -4.470 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.608 -4.182 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.867 -3.053 -9.976 1.00 0.00 H new ATOM 268 N THR A 20 0.364 2.191 -8.856 1.00 0.00 N ATOM 269 CA THR A 20 -0.832 3.022 -8.923 1.00 0.00 C ATOM 270 C THR A 20 -1.036 3.579 -10.327 1.00 0.00 C ATOM 271 O THR A 20 -2.165 3.833 -10.746 1.00 0.00 O ATOM 272 CB THR A 20 -0.758 4.193 -7.924 1.00 0.00 C ATOM 273 OG1 THR A 20 0.431 4.957 -8.150 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.776 3.683 -6.491 1.00 0.00 C ATOM 0 H THR A 20 0.976 2.396 -8.066 1.00 0.00 H new ATOM 0 HA THR A 20 -1.676 2.384 -8.662 1.00 0.00 H new ATOM 0 HB THR A 20 -1.630 4.828 -8.078 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.215 4.424 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.723 4.527 -5.804 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.697 3.128 -6.314 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.079 3.028 -6.327 1.00 0.00 H new ATOM 282 N ALA A 21 0.064 3.767 -11.050 1.00 0.00 N ATOM 283 CA ALA A 21 0.004 4.292 -12.408 1.00 0.00 C ATOM 284 C ALA A 21 -1.225 3.770 -13.145 1.00 0.00 C ATOM 285 O ALA A 21 -1.461 2.565 -13.203 1.00 0.00 O ATOM 286 CB ALA A 21 1.271 3.931 -13.170 1.00 0.00 C ATOM 0 H ALA A 21 1.007 3.563 -10.717 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.074 5.378 -12.348 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.212 4.329 -14.183 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.135 4.358 -12.662 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.374 2.847 -13.212 1.00 0.00 H new ATOM 292 N GLY A 22 -2.006 4.688 -13.708 1.00 0.00 N ATOM 293 CA GLY A 22 -3.202 4.299 -14.432 1.00 0.00 C ATOM 294 C GLY A 22 -4.468 4.819 -13.782 1.00 0.00 C ATOM 295 O GLY A 22 -5.340 5.368 -14.455 1.00 0.00 O ATOM 0 H GLY A 22 -1.832 5.692 -13.675 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.142 4.673 -15.454 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.249 3.212 -14.493 1.00 0.00 H new ATOM 299 N TYR A 23 -4.571 4.645 -12.469 1.00 0.00 N ATOM 300 CA TYR A 23 -5.743 5.097 -11.728 1.00 0.00 C ATOM 301 C TYR A 23 -5.782 6.620 -11.647 1.00 0.00 C ATOM 302 O TYR A 23 -4.844 7.267 -11.181 1.00 0.00 O ATOM 303 CB TYR A 23 -5.743 4.500 -10.320 1.00 0.00 C ATOM 304 CG TYR A 23 -5.920 2.998 -10.299 1.00 0.00 C ATOM 305 CD1 TYR A 23 -7.182 2.426 -10.412 1.00 0.00 C ATOM 306 CD2 TYR A 23 -4.827 2.151 -10.165 1.00 0.00 C ATOM 307 CE1 TYR A 23 -7.349 1.055 -10.393 1.00 0.00 C ATOM 308 CE2 TYR A 23 -4.985 0.779 -10.146 1.00 0.00 C ATOM 309 CZ TYR A 23 -6.248 0.236 -10.260 1.00 0.00 C ATOM 310 OH TYR A 23 -6.409 -1.131 -10.240 1.00 0.00 O ATOM 0 H TYR A 23 -3.857 4.194 -11.896 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.632 4.757 -12.260 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.805 4.754 -9.827 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.543 4.960 -9.739 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.047 3.065 -10.516 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.837 2.573 -10.074 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.337 0.627 -10.482 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.124 0.135 -10.042 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.357 -1.347 -10.121 1.00 0.00 H new ATOM 320 N PRO A 24 -6.895 7.208 -12.108 1.00 0.00 N ATOM 321 CA PRO A 24 -7.086 8.661 -12.099 1.00 0.00 C ATOM 322 C PRO A 24 -7.264 9.212 -10.688 1.00 0.00 C ATOM 323 O PRO A 24 -6.674 10.232 -10.332 1.00 0.00 O ATOM 324 CB PRO A 24 -8.366 8.856 -12.914 1.00 0.00 C ATOM 325 CG PRO A 24 -9.105 7.570 -12.775 1.00 0.00 C ATOM 326 CD PRO A 24 -8.054 6.498 -12.677 1.00 0.00 C ATOM 0 HA PRO A 24 -6.222 9.188 -12.504 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.953 9.693 -12.535 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.141 9.072 -13.958 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.739 7.578 -11.888 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.757 7.400 -13.631 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.376 5.677 -12.037 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.824 6.070 -13.653 1.00 0.00 H new ATOM 334 N ASN A 25 -8.079 8.532 -9.890 1.00 0.00 N ATOM 335 CA ASN A 25 -8.334 8.954 -8.518 1.00 0.00 C ATOM 336 C ASN A 25 -7.244 8.442 -7.579 1.00 0.00 C ATOM 337 O ASN A 25 -7.493 8.193 -6.400 1.00 0.00 O ATOM 338 CB ASN A 25 -9.701 8.450 -8.052 1.00 0.00 C ATOM 339 CG ASN A 25 -10.759 8.569 -9.132 1.00 0.00 C ATOM 340 OD1 ASN A 25 -10.650 9.398 -10.036 1.00 0.00 O ATOM 341 ND2 ASN A 25 -11.793 7.740 -9.042 1.00 0.00 N ATOM 0 H ASN A 25 -8.575 7.686 -10.170 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.328 10.044 -8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.615 7.408 -7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.015 9.017 -7.175 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.537 7.775 -9.739 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.843 7.068 -8.276 1.00 0.00 H new ATOM 348 N VAL A 26 -6.037 8.288 -8.113 1.00 0.00 N ATOM 349 CA VAL A 26 -4.909 7.808 -7.324 1.00 0.00 C ATOM 350 C VAL A 26 -3.653 8.628 -7.605 1.00 0.00 C ATOM 351 O VAL A 26 -3.332 8.913 -8.757 1.00 0.00 O ATOM 352 CB VAL A 26 -4.615 6.323 -7.610 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.497 5.817 -6.710 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.873 5.488 -7.432 1.00 0.00 C ATOM 0 H VAL A 26 -5.815 8.489 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.185 7.920 -6.276 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.287 6.228 -8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.303 4.766 -6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.593 6.398 -6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.793 5.924 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.647 4.442 -7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.233 5.587 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.641 5.836 -8.122 1.00 0.00 H new ATOM 364 N ASN A 27 -2.947 9.000 -6.542 1.00 0.00 N ATOM 365 CA ASN A 27 -1.726 9.787 -6.675 1.00 0.00 C ATOM 366 C ASN A 27 -0.878 9.692 -5.410 1.00 0.00 C ATOM 367 O ASN A 27 -1.303 10.109 -4.332 1.00 0.00 O ATOM 368 CB ASN A 27 -2.066 11.250 -6.965 1.00 0.00 C ATOM 369 CG ASN A 27 -0.908 12.183 -6.668 1.00 0.00 C ATOM 370 OD1 ASN A 27 -0.638 12.504 -5.511 1.00 0.00 O ATOM 371 ND2 ASN A 27 -0.218 12.623 -7.714 1.00 0.00 N ATOM 0 H ASN A 27 -3.199 8.770 -5.581 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.152 9.383 -7.508 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.353 11.353 -8.012 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.929 11.545 -6.368 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.572 13.253 -7.575 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.478 12.330 -8.656 1.00 0.00 H new ATOM 378 N VAL A 28 0.324 9.141 -5.550 1.00 0.00 N ATOM 379 CA VAL A 28 1.233 8.992 -4.420 1.00 0.00 C ATOM 380 C VAL A 28 2.286 10.095 -4.413 1.00 0.00 C ATOM 381 O VAL A 28 3.479 9.829 -4.568 1.00 0.00 O ATOM 382 CB VAL A 28 1.938 7.624 -4.443 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.832 7.463 -3.223 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.915 6.499 -4.515 1.00 0.00 C ATOM 0 H VAL A 28 0.691 8.791 -6.435 1.00 0.00 H new ATOM 0 HA VAL A 28 0.629 9.065 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 28 2.565 7.573 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.322 6.490 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.587 8.249 -3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.229 7.534 -2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.431 5.539 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.261 6.546 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.320 6.606 -5.422 1.00 0.00 H new ATOM 394 N HIS A 29 1.839 11.333 -4.233 1.00 0.00 N ATOM 395 CA HIS A 29 2.743 12.477 -4.205 1.00 0.00 C ATOM 396 C HIS A 29 3.540 12.509 -2.904 1.00 0.00 C ATOM 397 O HIS A 29 4.709 12.890 -2.890 1.00 0.00 O ATOM 398 CB HIS A 29 1.958 13.779 -4.367 1.00 0.00 C ATOM 399 CG HIS A 29 2.716 14.995 -3.931 1.00 0.00 C ATOM 400 ND1 HIS A 29 2.208 15.922 -3.047 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.955 15.432 -4.262 1.00 0.00 C ATOM 402 CE1 HIS A 29 3.100 16.877 -2.852 1.00 0.00 C ATOM 403 NE2 HIS A 29 4.169 16.603 -3.579 1.00 0.00 N ATOM 0 H HIS A 29 0.855 11.570 -4.104 1.00 0.00 H new ATOM 0 HA HIS A 29 3.441 12.376 -5.036 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.674 13.894 -5.413 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.035 13.711 -3.791 1.00 0.00 H new ATOM 0 HD1 HIS A 29 1.287 15.878 -2.611 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.646 14.949 -4.937 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.977 17.735 -2.208 1.00 0.00 H new ATOM 412 N ASN A 30 2.896 12.106 -1.813 1.00 0.00 N ATOM 413 CA ASN A 30 3.545 12.089 -0.507 1.00 0.00 C ATOM 414 C ASN A 30 3.104 10.874 0.304 1.00 0.00 C ATOM 415 O ASN A 30 2.215 10.129 -0.108 1.00 0.00 O ATOM 416 CB ASN A 30 3.224 13.373 0.262 1.00 0.00 C ATOM 417 CG ASN A 30 1.841 13.907 -0.058 1.00 0.00 C ATOM 418 OD1 ASN A 30 1.683 15.072 -0.420 1.00 0.00 O ATOM 419 ND2 ASN A 30 0.832 13.054 0.077 1.00 0.00 N ATOM 0 H ASN A 30 1.927 11.787 -1.807 1.00 0.00 H new ATOM 0 HA ASN A 30 4.622 12.027 -0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.298 13.180 1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.968 14.133 0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.122 13.356 -0.122 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.011 12.097 0.380 1.00 0.00 H new ATOM 426 N PHE A 31 3.732 10.681 1.460 1.00 0.00 N ATOM 427 CA PHE A 31 3.405 9.556 2.329 1.00 0.00 C ATOM 428 C PHE A 31 2.488 9.996 3.465 1.00 0.00 C ATOM 429 O PHE A 31 2.500 9.414 4.551 1.00 0.00 O ATOM 430 CB PHE A 31 4.683 8.938 2.900 1.00 0.00 C ATOM 431 CG PHE A 31 5.445 8.110 1.905 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.861 7.000 1.315 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.745 8.442 1.559 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.561 6.237 0.399 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.449 7.682 0.644 1.00 0.00 C ATOM 436 CZ PHE A 31 6.856 6.580 0.063 1.00 0.00 C ATOM 0 H PHE A 31 4.470 11.289 1.816 1.00 0.00 H new ATOM 0 HA PHE A 31 2.883 8.808 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.329 9.735 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.425 8.316 3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.848 6.728 1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.214 9.305 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.096 5.374 -0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.462 7.951 0.384 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.404 5.986 -0.654 1.00 0.00 H new ATOM 446 N THR A 32 1.691 11.029 3.209 1.00 0.00 N ATOM 447 CA THR A 32 0.768 11.550 4.210 1.00 0.00 C ATOM 448 C THR A 32 -0.637 11.700 3.636 1.00 0.00 C ATOM 449 O THR A 32 -1.540 10.929 3.967 1.00 0.00 O ATOM 450 CB THR A 32 1.236 12.913 4.752 1.00 0.00 C ATOM 451 OG1 THR A 32 1.731 13.723 3.680 1.00 0.00 O ATOM 452 CG2 THR A 32 2.324 12.733 5.801 1.00 0.00 C ATOM 0 H THR A 32 1.666 11.522 2.316 1.00 0.00 H new ATOM 0 HA THR A 32 0.750 10.830 5.028 1.00 0.00 H new ATOM 0 HB THR A 32 0.382 13.407 5.216 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.025 14.589 4.033 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.639 13.709 6.170 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.936 12.140 6.629 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.177 12.220 5.356 1.00 0.00 H new ATOM 460 N THR A 33 -0.817 12.695 2.775 1.00 0.00 N ATOM 461 CA THR A 33 -2.112 12.947 2.156 1.00 0.00 C ATOM 462 C THR A 33 -2.329 12.044 0.947 1.00 0.00 C ATOM 463 O THR A 33 -2.920 12.457 -0.051 1.00 0.00 O ATOM 464 CB THR A 33 -2.250 14.417 1.716 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.284 14.716 0.702 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.059 15.355 2.898 1.00 0.00 C ATOM 0 H THR A 33 -0.081 13.341 2.490 1.00 0.00 H new ATOM 0 HA THR A 33 -2.869 12.729 2.910 1.00 0.00 H new ATOM 0 HB THR A 33 -3.254 14.562 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.378 15.652 0.426 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.161 16.387 2.563 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.813 15.143 3.656 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.066 15.208 3.323 1.00 0.00 H new ATOM 474 N SER A 34 -1.846 10.809 1.043 1.00 0.00 N ATOM 475 CA SER A 34 -1.984 9.847 -0.045 1.00 0.00 C ATOM 476 C SER A 34 -2.642 8.563 0.446 1.00 0.00 C ATOM 477 O SER A 34 -3.307 7.862 -0.317 1.00 0.00 O ATOM 478 CB SER A 34 -0.615 9.533 -0.652 1.00 0.00 C ATOM 479 OG SER A 34 -0.631 8.288 -1.328 1.00 0.00 O ATOM 0 H SER A 34 -1.356 10.451 1.863 1.00 0.00 H new ATOM 0 HA SER A 34 -2.620 10.290 -0.811 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.331 10.324 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.139 9.514 0.135 1.00 0.00 H new ATOM 0 HG SER A 34 -0.126 7.628 -0.809 1.00 0.00 H new ATOM 485 N TRP A 35 -2.452 8.259 1.725 1.00 0.00 N ATOM 486 CA TRP A 35 -3.027 7.058 2.319 1.00 0.00 C ATOM 487 C TRP A 35 -4.045 7.416 3.396 1.00 0.00 C ATOM 488 O TRP A 35 -4.488 6.555 4.155 1.00 0.00 O ATOM 489 CB TRP A 35 -1.925 6.180 2.913 1.00 0.00 C ATOM 490 CG TRP A 35 -0.672 6.161 2.091 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.207 7.191 1.912 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.160 5.059 1.335 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.234 6.796 1.090 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.033 5.492 0.723 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.591 3.747 1.117 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.796 4.659 -0.092 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.167 2.923 0.307 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.350 3.380 -0.288 1.00 0.00 C ATOM 0 H TRP A 35 -1.904 8.828 2.370 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.539 6.504 1.532 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.688 6.536 3.916 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.298 5.161 3.017 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.109 8.172 2.352 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.019 7.379 0.800 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.500 3.384 1.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.707 5.010 -0.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.158 1.909 0.130 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.921 2.710 -0.914 1.00 0.00 H new ATOM 509 N ARG A 36 -4.412 8.692 3.456 1.00 0.00 N ATOM 510 CA ARG A 36 -5.376 9.165 4.442 1.00 0.00 C ATOM 511 C ARG A 36 -6.766 8.605 4.153 1.00 0.00 C ATOM 512 O ARG A 36 -7.507 8.252 5.070 1.00 0.00 O ATOM 513 CB ARG A 36 -5.422 10.693 4.451 1.00 0.00 C ATOM 514 CG ARG A 36 -6.466 11.267 5.396 1.00 0.00 C ATOM 515 CD ARG A 36 -7.805 11.451 4.700 1.00 0.00 C ATOM 516 NE ARG A 36 -7.873 12.716 3.972 1.00 0.00 N ATOM 517 CZ ARG A 36 -8.116 13.885 4.552 1.00 0.00 C ATOM 518 NH1 ARG A 36 -8.312 13.952 5.862 1.00 0.00 N ATOM 519 NH2 ARG A 36 -8.164 14.993 3.823 1.00 0.00 N ATOM 0 H ARG A 36 -4.056 9.417 2.833 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.057 8.813 5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.441 11.076 4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.625 11.048 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.588 10.603 6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.121 12.226 5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.971 10.625 4.008 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.606 11.414 5.439 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.726 12.700 2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.276 13.104 6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.498 14.852 6.304 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.014 14.947 2.815 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.351 15.890 4.271 1.00 0.00 H new ATOM 533 N ASP A 37 -7.113 8.528 2.873 1.00 0.00 N ATOM 534 CA ASP A 37 -8.413 8.012 2.462 1.00 0.00 C ATOM 535 C ASP A 37 -8.424 6.486 2.486 1.00 0.00 C ATOM 536 O ASP A 37 -9.232 5.871 3.181 1.00 0.00 O ATOM 537 CB ASP A 37 -8.767 8.515 1.063 1.00 0.00 C ATOM 538 CG ASP A 37 -9.949 7.778 0.463 1.00 0.00 C ATOM 539 OD1 ASP A 37 -9.828 6.559 0.225 1.00 0.00 O ATOM 540 OD2 ASP A 37 -10.995 8.421 0.232 1.00 0.00 O ATOM 0 H ASP A 37 -6.511 8.817 2.102 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.160 8.374 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.993 9.580 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.902 8.401 0.410 1.00 0.00 H new ATOM 545 N GLY A 38 -7.521 5.881 1.719 1.00 0.00 N ATOM 546 CA GLY A 38 -7.445 4.433 1.665 1.00 0.00 C ATOM 547 C GLY A 38 -7.203 3.917 0.261 1.00 0.00 C ATOM 548 O GLY A 38 -6.468 2.947 0.065 1.00 0.00 O ATOM 0 H GLY A 38 -6.841 6.368 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.643 4.090 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.373 4.009 2.050 1.00 0.00 H new ATOM 552 N LEU A 39 -7.821 4.564 -0.721 1.00 0.00 N ATOM 553 CA LEU A 39 -7.671 4.164 -2.116 1.00 0.00 C ATOM 554 C LEU A 39 -6.261 3.648 -2.385 1.00 0.00 C ATOM 555 O LEU A 39 -6.075 2.495 -2.774 1.00 0.00 O ATOM 556 CB LEU A 39 -7.980 5.343 -3.041 1.00 0.00 C ATOM 557 CG LEU A 39 -9.413 5.874 -2.995 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.555 7.102 -3.880 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.397 4.793 -3.417 1.00 0.00 C ATOM 0 H LEU A 39 -8.431 5.369 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.378 3.358 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.303 6.160 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.757 5.044 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.640 6.162 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.581 7.466 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.878 7.882 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.308 6.840 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.412 5.189 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.171 4.473 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.314 3.942 -2.742 1.00 0.00 H new ATOM 571 N ALA A 40 -5.271 4.508 -2.172 1.00 0.00 N ATOM 572 CA ALA A 40 -3.878 4.138 -2.388 1.00 0.00 C ATOM 573 C ALA A 40 -3.640 2.671 -2.042 1.00 0.00 C ATOM 574 O ALA A 40 -3.266 1.873 -2.902 1.00 0.00 O ATOM 575 CB ALA A 40 -2.960 5.031 -1.566 1.00 0.00 C ATOM 0 H ALA A 40 -5.408 5.466 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.651 4.277 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.923 4.743 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.102 6.070 -1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.197 4.921 -0.508 1.00 0.00 H new ATOM 581 N PHE A 41 -3.858 2.324 -0.779 1.00 0.00 N ATOM 582 CA PHE A 41 -3.665 0.952 -0.319 1.00 0.00 C ATOM 583 C PHE A 41 -4.505 -0.020 -1.142 1.00 0.00 C ATOM 584 O PHE A 41 -4.026 -1.076 -1.552 1.00 0.00 O ATOM 585 CB PHE A 41 -4.031 0.833 1.162 1.00 0.00 C ATOM 586 CG PHE A 41 -2.983 1.387 2.085 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.652 1.031 1.935 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.329 2.262 3.102 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.685 1.540 2.783 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.367 2.773 3.952 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.043 2.411 3.793 1.00 0.00 C ATOM 0 H PHE A 41 -4.168 2.972 -0.055 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.614 0.695 -0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.972 1.355 1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.198 -0.217 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.367 0.349 1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.362 2.548 3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.349 1.256 2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.650 3.455 4.740 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.290 2.808 4.457 1.00 0.00 H new ATOM 601 N ASN A 42 -5.761 0.346 -1.380 1.00 0.00 N ATOM 602 CA ASN A 42 -6.668 -0.494 -2.152 1.00 0.00 C ATOM 603 C ASN A 42 -6.271 -0.511 -3.626 1.00 0.00 C ATOM 604 O ASN A 42 -6.918 -1.162 -4.446 1.00 0.00 O ATOM 605 CB ASN A 42 -8.107 0.005 -2.006 1.00 0.00 C ATOM 606 CG ASN A 42 -8.605 -0.078 -0.576 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.782 -1.167 -0.031 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.833 1.077 0.039 1.00 0.00 N ATOM 0 H ASN A 42 -6.173 1.219 -1.049 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.602 -1.510 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.167 1.038 -2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.760 -0.584 -2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.169 1.084 1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.672 1.957 -0.452 1.00 0.00 H new ATOM 615 N ALA A 43 -5.204 0.210 -3.954 1.00 0.00 N ATOM 616 CA ALA A 43 -4.720 0.275 -5.328 1.00 0.00 C ATOM 617 C ALA A 43 -3.566 -0.698 -5.550 1.00 0.00 C ATOM 618 O ALA A 43 -3.485 -1.350 -6.591 1.00 0.00 O ATOM 619 CB ALA A 43 -4.287 1.694 -5.667 1.00 0.00 C ATOM 0 H ALA A 43 -4.659 0.757 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.537 -0.013 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.928 1.729 -6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.135 2.370 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.488 2.001 -4.993 1.00 0.00 H new ATOM 625 N ILE A 44 -2.679 -0.792 -4.566 1.00 0.00 N ATOM 626 CA ILE A 44 -1.532 -1.686 -4.655 1.00 0.00 C ATOM 627 C ILE A 44 -1.976 -3.133 -4.852 1.00 0.00 C ATOM 628 O ILE A 44 -1.484 -3.829 -5.739 1.00 0.00 O ATOM 629 CB ILE A 44 -0.650 -1.599 -3.395 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.147 -0.168 -3.197 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.518 -2.569 -3.498 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.378 0.101 -1.803 1.00 0.00 C ATOM 0 H ILE A 44 -2.733 -0.260 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.950 -1.366 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.250 -1.876 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.644 0.034 -3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.959 0.527 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.132 -2.496 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.139 -3.586 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.121 -2.321 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.717 1.135 -1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.416 -0.068 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.211 -0.569 -1.592 1.00 0.00 H new ATOM 644 N VAL A 45 -2.912 -3.576 -4.018 1.00 0.00 N ATOM 645 CA VAL A 45 -3.426 -4.938 -4.102 1.00 0.00 C ATOM 646 C VAL A 45 -4.168 -5.166 -5.414 1.00 0.00 C ATOM 647 O VAL A 45 -3.774 -6.003 -6.226 1.00 0.00 O ATOM 648 CB VAL A 45 -4.371 -5.254 -2.929 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.916 -6.669 -3.049 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.654 -5.061 -1.600 1.00 0.00 C ATOM 0 H VAL A 45 -3.329 -3.012 -3.277 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.565 -5.605 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.212 -4.562 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.582 -6.875 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.468 -6.768 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.089 -7.379 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.337 -5.289 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.793 -5.728 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.318 -4.028 -1.515 1.00 0.00 H new ATOM 660 N HIS A 46 -5.245 -4.415 -5.616 1.00 0.00 N ATOM 661 CA HIS A 46 -6.044 -4.534 -6.831 1.00 0.00 C ATOM 662 C HIS A 46 -5.159 -4.843 -8.034 1.00 0.00 C ATOM 663 O HIS A 46 -5.490 -5.695 -8.859 1.00 0.00 O ATOM 664 CB HIS A 46 -6.829 -3.245 -7.080 1.00 0.00 C ATOM 665 CG HIS A 46 -7.979 -3.416 -8.023 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.907 -3.101 -9.364 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.236 -3.874 -7.813 1.00 0.00 C ATOM 668 CE1 HIS A 46 -9.069 -3.357 -9.937 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.892 -3.827 -9.018 1.00 0.00 N ATOM 0 H HIS A 46 -5.585 -3.717 -4.954 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.745 -5.357 -6.695 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.203 -2.868 -6.128 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.153 -2.489 -7.479 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -7.085 -2.729 -9.839 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.646 -4.213 -6.873 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.306 -3.207 -10.980 1.00 0.00 H new ATOM 678 N LYS A 47 -4.032 -4.146 -8.129 1.00 0.00 N ATOM 679 CA LYS A 47 -3.098 -4.348 -9.231 1.00 0.00 C ATOM 680 C LYS A 47 -2.625 -5.796 -9.286 1.00 0.00 C ATOM 681 O LYS A 47 -2.602 -6.413 -10.352 1.00 0.00 O ATOM 682 CB LYS A 47 -1.895 -3.413 -9.084 1.00 0.00 C ATOM 683 CG LYS A 47 -1.011 -3.360 -10.318 1.00 0.00 C ATOM 684 CD LYS A 47 -1.605 -2.462 -11.391 1.00 0.00 C ATOM 685 CE LYS A 47 -0.568 -2.080 -12.435 1.00 0.00 C ATOM 686 NZ LYS A 47 -0.148 -3.250 -13.254 1.00 0.00 N ATOM 0 H LYS A 47 -3.743 -3.436 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.618 -4.119 -10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.252 -2.408 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.296 -3.736 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.022 -2.994 -10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.879 -4.366 -10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.438 -2.973 -11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.008 -1.560 -10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.977 -1.308 -13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.304 -1.651 -11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.559 -2.948 -13.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.265 -3.976 -12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.975 -3.644 -13.746 1.00 0.00 H new ATOM 700 N HIS A 48 -2.250 -6.336 -8.131 1.00 0.00 N ATOM 701 CA HIS A 48 -1.779 -7.714 -8.048 1.00 0.00 C ATOM 702 C HIS A 48 -2.944 -8.693 -8.163 1.00 0.00 C ATOM 703 O HIS A 48 -2.908 -9.625 -8.968 1.00 0.00 O ATOM 704 CB HIS A 48 -1.033 -7.944 -6.733 1.00 0.00 C ATOM 705 CG HIS A 48 -0.038 -6.870 -6.415 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.107 -6.095 -5.315 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.961 -6.488 -7.286 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.180 -5.268 -5.538 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.679 -5.526 -6.734 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.263 -5.840 -7.240 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.096 -7.889 -8.879 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.757 -8.010 -5.921 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.518 -8.903 -6.780 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.473 -6.121 -4.476 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.130 -6.909 -8.266 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.555 -4.527 -4.848 1.00 0.00 H new ATOM 718 N ARG A 49 -3.974 -8.478 -7.352 1.00 0.00 N ATOM 719 CA ARG A 49 -5.148 -9.342 -7.361 1.00 0.00 C ATOM 720 C ARG A 49 -6.428 -8.520 -7.484 1.00 0.00 C ATOM 721 O ARG A 49 -7.051 -8.144 -6.490 1.00 0.00 O ATOM 722 CB ARG A 49 -5.194 -10.190 -6.087 1.00 0.00 C ATOM 723 CG ARG A 49 -3.995 -11.110 -5.925 1.00 0.00 C ATOM 724 CD ARG A 49 -4.120 -12.346 -6.801 1.00 0.00 C ATOM 725 NE ARG A 49 -5.153 -13.257 -6.319 1.00 0.00 N ATOM 726 CZ ARG A 49 -5.775 -14.141 -7.093 1.00 0.00 C ATOM 727 NH1 ARG A 49 -5.468 -14.231 -8.379 1.00 0.00 N ATOM 728 NH2 ARG A 49 -6.704 -14.936 -6.580 1.00 0.00 N ATOM 0 H ARG A 49 -4.019 -7.712 -6.680 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.076 -10.001 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.254 -9.529 -5.222 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.104 -10.790 -6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.084 -10.571 -6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.904 -11.410 -4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.351 -12.044 -7.823 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.163 -12.867 -6.831 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.412 -13.213 -5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.753 -13.621 -8.777 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.946 -14.910 -8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.942 -14.870 -5.590 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.180 -15.614 -7.175 1.00 0.00 H new ATOM 742 N PRO A 50 -6.830 -8.234 -8.730 1.00 0.00 N ATOM 743 CA PRO A 50 -8.039 -7.455 -9.014 1.00 0.00 C ATOM 744 C PRO A 50 -9.314 -8.217 -8.672 1.00 0.00 C ATOM 745 O PRO A 50 -10.420 -7.745 -8.935 1.00 0.00 O ATOM 746 CB PRO A 50 -7.954 -7.203 -10.521 1.00 0.00 C ATOM 747 CG PRO A 50 -7.125 -8.324 -11.046 1.00 0.00 C ATOM 748 CD PRO A 50 -6.137 -8.652 -9.961 1.00 0.00 C ATOM 0 HA PRO A 50 -8.085 -6.544 -8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.944 -7.195 -10.978 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.496 -6.237 -10.736 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.744 -9.189 -11.284 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.614 -8.035 -11.964 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.896 -9.715 -9.945 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.199 -8.114 -10.096 1.00 0.00 H new ATOM 756 N ASP A 51 -9.152 -9.397 -8.084 1.00 0.00 N ATOM 757 CA ASP A 51 -10.291 -10.225 -7.704 1.00 0.00 C ATOM 758 C ASP A 51 -10.741 -9.910 -6.281 1.00 0.00 C ATOM 759 O ASP A 51 -11.936 -9.773 -6.012 1.00 0.00 O ATOM 760 CB ASP A 51 -9.934 -11.707 -7.824 1.00 0.00 C ATOM 761 CG ASP A 51 -9.975 -12.200 -9.256 1.00 0.00 C ATOM 762 OD1 ASP A 51 -9.716 -11.388 -10.170 1.00 0.00 O ATOM 763 OD2 ASP A 51 -10.268 -13.396 -9.465 1.00 0.00 O ATOM 0 H ASP A 51 -8.243 -9.802 -7.860 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.114 -10.002 -8.383 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.937 -11.871 -7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.627 -12.294 -7.221 1.00 0.00 H new ATOM 768 N LEU A 52 -9.779 -9.798 -5.372 1.00 0.00 N ATOM 769 CA LEU A 52 -10.076 -9.501 -3.976 1.00 0.00 C ATOM 770 C LEU A 52 -11.099 -8.376 -3.864 1.00 0.00 C ATOM 771 O LEU A 52 -12.220 -8.586 -3.396 1.00 0.00 O ATOM 772 CB LEU A 52 -8.795 -9.116 -3.232 1.00 0.00 C ATOM 773 CG LEU A 52 -7.590 -10.032 -3.452 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.398 -9.550 -2.639 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.939 -11.468 -3.091 1.00 0.00 C ATOM 0 H LEU A 52 -8.786 -9.909 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.498 -10.398 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.516 -8.105 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.014 -9.086 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.321 -9.999 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.550 -10.214 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.134 -8.538 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.655 -9.552 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.070 -12.106 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.235 -11.518 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.763 -11.811 -3.717 1.00 0.00 H new ATOM 787 N LEU A 53 -10.709 -7.183 -4.298 1.00 0.00 N ATOM 788 CA LEU A 53 -11.594 -6.024 -4.249 1.00 0.00 C ATOM 789 C LEU A 53 -11.812 -5.446 -5.644 1.00 0.00 C ATOM 790 O LEU A 53 -11.124 -5.818 -6.596 1.00 0.00 O ATOM 791 CB LEU A 53 -11.013 -4.952 -3.326 1.00 0.00 C ATOM 792 CG LEU A 53 -9.622 -4.432 -3.692 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.308 -3.159 -2.922 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.567 -5.496 -3.424 1.00 0.00 C ATOM 0 H LEU A 53 -9.786 -6.992 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.557 -6.350 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.701 -4.107 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.973 -5.355 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.611 -4.199 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.314 -2.804 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.046 -2.395 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.338 -3.364 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.584 -5.108 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.578 -5.762 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.782 -6.381 -4.023 1.00 0.00 H new ATOM 806 N ASP A 54 -12.771 -4.534 -5.758 1.00 0.00 N ATOM 807 CA ASP A 54 -13.077 -3.902 -7.036 1.00 0.00 C ATOM 808 C ASP A 54 -12.927 -2.387 -6.943 1.00 0.00 C ATOM 809 O ASP A 54 -13.888 -1.673 -6.658 1.00 0.00 O ATOM 810 CB ASP A 54 -14.497 -4.260 -7.478 1.00 0.00 C ATOM 811 CG ASP A 54 -14.730 -5.757 -7.523 1.00 0.00 C ATOM 812 OD1 ASP A 54 -14.755 -6.385 -6.445 1.00 0.00 O ATOM 813 OD2 ASP A 54 -14.887 -6.300 -8.637 1.00 0.00 O ATOM 0 H ASP A 54 -13.350 -4.216 -4.981 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.369 -4.274 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.213 -3.804 -6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.685 -3.836 -8.465 1.00 0.00 H new ATOM 818 N PHE A 55 -11.713 -1.902 -7.183 1.00 0.00 N ATOM 819 CA PHE A 55 -11.435 -0.471 -7.125 1.00 0.00 C ATOM 820 C PHE A 55 -12.577 0.330 -7.741 1.00 0.00 C ATOM 821 O PHE A 55 -13.011 1.340 -7.187 1.00 0.00 O ATOM 822 CB PHE A 55 -10.126 -0.154 -7.849 1.00 0.00 C ATOM 823 CG PHE A 55 -9.420 1.057 -7.310 1.00 0.00 C ATOM 824 CD1 PHE A 55 -8.555 0.950 -6.233 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.623 2.304 -7.879 1.00 0.00 C ATOM 826 CE1 PHE A 55 -7.905 2.062 -5.734 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.975 3.420 -7.385 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.116 3.299 -6.311 1.00 0.00 C ATOM 0 H PHE A 55 -10.906 -2.479 -7.420 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.340 -0.187 -6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.462 -1.015 -7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.334 -0.002 -8.908 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.387 -0.015 -5.778 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.295 2.405 -8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.233 1.964 -4.894 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.140 4.386 -7.839 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.610 4.170 -5.923 1.00 0.00 H new ATOM 838 N GLU A 56 -13.060 -0.129 -8.892 1.00 0.00 N ATOM 839 CA GLU A 56 -14.151 0.547 -9.585 1.00 0.00 C ATOM 840 C GLU A 56 -15.392 0.626 -8.700 1.00 0.00 C ATOM 841 O GLU A 56 -16.111 1.625 -8.709 1.00 0.00 O ATOM 842 CB GLU A 56 -14.487 -0.183 -10.887 1.00 0.00 C ATOM 843 CG GLU A 56 -13.301 -0.328 -11.826 1.00 0.00 C ATOM 844 CD GLU A 56 -13.722 -0.580 -13.262 1.00 0.00 C ATOM 845 OE1 GLU A 56 -14.394 -1.602 -13.512 1.00 0.00 O ATOM 846 OE2 GLU A 56 -13.378 0.244 -14.135 1.00 0.00 O ATOM 0 H GLU A 56 -12.714 -0.965 -9.363 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.826 1.561 -9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.875 -1.174 -10.649 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.283 0.356 -11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.695 0.577 -11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.671 -1.150 -11.486 1.00 0.00 H new ATOM 853 N SER A 57 -15.635 -0.433 -7.935 1.00 0.00 N ATOM 854 CA SER A 57 -16.790 -0.486 -7.047 1.00 0.00 C ATOM 855 C SER A 57 -16.632 0.497 -5.891 1.00 0.00 C ATOM 856 O SER A 57 -17.569 1.214 -5.538 1.00 0.00 O ATOM 857 CB SER A 57 -16.978 -1.905 -6.504 1.00 0.00 C ATOM 858 OG SER A 57 -18.093 -1.973 -5.632 1.00 0.00 O ATOM 0 H SER A 57 -15.047 -1.266 -7.912 1.00 0.00 H new ATOM 0 HA SER A 57 -17.673 -0.205 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.117 -2.599 -7.333 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.078 -2.217 -5.974 1.00 0.00 H new ATOM 0 HG SER A 57 -18.193 -2.890 -5.300 1.00 0.00 H new ATOM 864 N LEU A 58 -15.440 0.524 -5.305 1.00 0.00 N ATOM 865 CA LEU A 58 -15.157 1.420 -4.189 1.00 0.00 C ATOM 866 C LEU A 58 -15.665 2.829 -4.478 1.00 0.00 C ATOM 867 O LEU A 58 -15.995 3.160 -5.616 1.00 0.00 O ATOM 868 CB LEU A 58 -13.654 1.454 -3.906 1.00 0.00 C ATOM 869 CG LEU A 58 -12.994 0.106 -3.617 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.489 0.268 -3.470 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.589 -0.523 -2.365 1.00 0.00 C ATOM 0 H LEU A 58 -14.654 -0.064 -5.584 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.678 1.041 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.154 1.904 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.480 2.111 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.187 -0.558 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.037 -0.702 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.075 0.673 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.275 0.949 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.107 -1.482 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.428 0.139 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.659 -0.677 -2.508 1.00 0.00 H new ATOM 883 N LYS A 59 -15.722 3.656 -3.439 1.00 0.00 N ATOM 884 CA LYS A 59 -16.185 5.031 -3.580 1.00 0.00 C ATOM 885 C LYS A 59 -15.281 5.990 -2.815 1.00 0.00 C ATOM 886 O LYS A 59 -14.633 5.607 -1.840 1.00 0.00 O ATOM 887 CB LYS A 59 -17.625 5.159 -3.078 1.00 0.00 C ATOM 888 CG LYS A 59 -18.669 4.919 -4.155 1.00 0.00 C ATOM 889 CD LYS A 59 -20.063 5.281 -3.672 1.00 0.00 C ATOM 890 CE LYS A 59 -20.385 6.742 -3.945 1.00 0.00 C ATOM 891 NZ LYS A 59 -19.738 7.647 -2.955 1.00 0.00 N ATOM 0 H LYS A 59 -15.453 3.397 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.151 5.294 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.782 4.448 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.768 6.156 -2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.424 5.509 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.648 3.872 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.797 4.647 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -20.142 5.084 -2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.053 7.006 -4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.465 6.887 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -20.315 8.504 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -19.656 7.159 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -18.791 7.911 -3.293 1.00 0.00 H new ATOM 905 N LYS A 60 -15.242 7.242 -3.260 1.00 0.00 N ATOM 906 CA LYS A 60 -14.420 8.260 -2.615 1.00 0.00 C ATOM 907 C LYS A 60 -15.203 8.979 -1.522 1.00 0.00 C ATOM 908 O LYS A 60 -15.117 10.200 -1.386 1.00 0.00 O ATOM 909 CB LYS A 60 -13.920 9.271 -3.650 1.00 0.00 C ATOM 910 CG LYS A 60 -12.932 8.686 -4.644 1.00 0.00 C ATOM 911 CD LYS A 60 -11.955 9.737 -5.142 1.00 0.00 C ATOM 912 CE LYS A 60 -12.555 10.572 -6.263 1.00 0.00 C ATOM 913 NZ LYS A 60 -11.651 11.680 -6.675 1.00 0.00 N ATOM 0 H LYS A 60 -15.771 7.576 -4.066 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.564 7.765 -2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.774 9.674 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.449 10.106 -3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.382 7.870 -4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.473 8.261 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.668 10.388 -4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.046 9.251 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.760 9.933 -7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.510 10.985 -5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.096 12.225 -7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.475 12.305 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.749 11.286 -7.010 1.00 0.00 H new ATOM 927 N CYS A 61 -15.962 8.215 -0.744 1.00 0.00 N ATOM 928 CA CYS A 61 -16.759 8.781 0.339 1.00 0.00 C ATOM 929 C CYS A 61 -16.441 8.094 1.663 1.00 0.00 C ATOM 930 O CYS A 61 -16.297 8.751 2.694 1.00 0.00 O ATOM 931 CB CYS A 61 -18.250 8.646 0.026 1.00 0.00 C ATOM 932 SG CYS A 61 -19.324 9.589 1.134 1.00 0.00 S ATOM 0 H CYS A 61 -16.042 7.203 -0.843 1.00 0.00 H new ATOM 0 HA CYS A 61 -16.508 9.838 0.429 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -18.426 8.973 -0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.527 7.593 0.077 1.00 0.00 H new ATOM 0 HG CYS A 61 -20.565 9.413 0.789 1.00 0.00 H new ATOM 938 N ASN A 62 -16.335 6.770 1.627 1.00 0.00 N ATOM 939 CA ASN A 62 -16.036 5.995 2.825 1.00 0.00 C ATOM 940 C ASN A 62 -14.550 5.657 2.899 1.00 0.00 C ATOM 941 O ASN A 62 -14.065 4.783 2.181 1.00 0.00 O ATOM 942 CB ASN A 62 -16.864 4.708 2.845 1.00 0.00 C ATOM 943 CG ASN A 62 -18.269 4.932 3.371 1.00 0.00 C ATOM 944 OD1 ASN A 62 -19.252 4.690 2.671 1.00 0.00 O ATOM 945 ND2 ASN A 62 -18.369 5.397 4.610 1.00 0.00 N ATOM 0 H ASN A 62 -16.452 6.212 0.781 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.296 6.601 3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.918 4.298 1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.361 3.965 3.465 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.288 5.568 5.018 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.527 5.584 5.154 1.00 0.00 H new ATOM 952 N ALA A 63 -13.833 6.356 3.772 1.00 0.00 N ATOM 953 CA ALA A 63 -12.403 6.130 3.942 1.00 0.00 C ATOM 954 C ALA A 63 -12.140 4.991 4.919 1.00 0.00 C ATOM 955 O ALA A 63 -11.216 4.198 4.731 1.00 0.00 O ATOM 956 CB ALA A 63 -11.719 7.404 4.416 1.00 0.00 C ATOM 0 H ALA A 63 -14.219 7.084 4.373 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.988 5.847 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.652 7.220 4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.869 8.193 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.146 7.713 5.370 1.00 0.00 H new ATOM 962 N HIS A 64 -12.957 4.914 5.965 1.00 0.00 N ATOM 963 CA HIS A 64 -12.812 3.871 6.974 1.00 0.00 C ATOM 964 C HIS A 64 -13.019 2.489 6.361 1.00 0.00 C ATOM 965 O HIS A 64 -12.178 1.602 6.506 1.00 0.00 O ATOM 966 CB HIS A 64 -13.809 4.091 8.113 1.00 0.00 C ATOM 967 CG HIS A 64 -13.377 3.485 9.412 1.00 0.00 C ATOM 968 ND1 HIS A 64 -12.576 2.365 9.491 1.00 0.00 N ATOM 969 CD2 HIS A 64 -13.638 3.849 10.690 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.364 2.067 10.761 1.00 0.00 C ATOM 971 NE2 HIS A 64 -12.997 2.951 11.508 1.00 0.00 N ATOM 0 H HIS A 64 -13.726 5.562 6.136 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.799 3.924 7.373 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.958 5.162 8.253 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.773 3.670 7.828 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -12.205 1.848 8.694 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.238 4.689 11.007 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.773 1.240 11.125 1.00 0.00 H new ATOM 980 N TYR A 65 -14.144 2.315 5.675 1.00 0.00 N ATOM 981 CA TYR A 65 -14.463 1.040 5.042 1.00 0.00 C ATOM 982 C TYR A 65 -13.394 0.654 4.025 1.00 0.00 C ATOM 983 O TYR A 65 -12.984 -0.502 3.947 1.00 0.00 O ATOM 984 CB TYR A 65 -15.830 1.114 4.360 1.00 0.00 C ATOM 985 CG TYR A 65 -16.085 -0.017 3.391 1.00 0.00 C ATOM 986 CD1 TYR A 65 -16.654 -1.211 3.820 1.00 0.00 C ATOM 987 CD2 TYR A 65 -15.757 0.104 2.047 1.00 0.00 C ATOM 988 CE1 TYR A 65 -16.888 -2.248 2.938 1.00 0.00 C ATOM 989 CE2 TYR A 65 -15.989 -0.927 1.157 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.554 -2.101 1.608 1.00 0.00 C ATOM 991 OH TYR A 65 -16.785 -3.132 0.725 1.00 0.00 O ATOM 0 H TYR A 65 -14.849 3.040 5.543 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.493 0.275 5.818 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.608 1.110 5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.910 2.062 3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.918 -1.330 4.861 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.312 1.021 1.691 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -17.330 -3.169 3.288 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.729 -0.814 0.115 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.494 -2.866 -0.172 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.947 1.635 3.246 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.925 1.400 2.233 1.00 0.00 C ATOM 1003 C ASN A 66 -10.602 0.997 2.876 1.00 0.00 C ATOM 1004 O ASN A 66 -9.911 0.100 2.393 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.729 2.652 1.376 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.790 2.792 0.303 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.684 1.951 0.185 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.698 3.855 -0.488 1.00 0.00 N ATOM 0 H ASN A 66 -13.277 2.599 3.297 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.262 0.582 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.746 3.534 2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.745 2.618 0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.384 4.000 -1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.941 4.526 -0.355 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.255 1.667 3.970 1.00 0.00 N ATOM 1016 CA LEU A 67 -9.015 1.380 4.683 1.00 0.00 C ATOM 1017 C LEU A 67 -9.040 -0.026 5.275 1.00 0.00 C ATOM 1018 O LEU A 67 -8.327 -0.916 4.812 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.791 2.408 5.792 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.299 3.785 5.342 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.605 4.833 6.399 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.808 3.746 5.041 1.00 0.00 C ATOM 0 H LEU A 67 -10.815 2.413 4.383 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.193 1.440 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.728 2.538 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.068 1.999 6.498 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.826 4.057 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.248 5.806 6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.681 4.879 6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.106 4.567 7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.475 4.734 4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.263 3.451 5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.616 3.025 4.247 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.866 -0.217 6.298 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.985 -1.515 6.952 1.00 0.00 C ATOM 1036 C GLN A 68 -9.947 -2.645 5.928 1.00 0.00 C ATOM 1037 O GLN A 68 -9.477 -3.744 6.220 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.281 -1.586 7.759 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.520 -1.799 6.905 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.776 -1.249 7.551 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.746 0.028 7.914 1.00 0.00 O flip ATOM 1042 NE2 GLN A 68 -14.764 -1.964 7.722 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.463 0.510 6.692 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.138 -1.632 7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.205 -2.398 8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.396 -0.663 8.327 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.375 -1.321 5.936 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.649 -2.865 6.718 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.744 -2.940 7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.602 -1.580 8.158 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.444 -2.367 4.727 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.468 -3.361 3.661 1.00 0.00 C ATOM 1053 C ASN A 69 -9.059 -3.853 3.345 1.00 0.00 C ATOM 1054 O ASN A 69 -8.761 -5.040 3.478 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.109 -2.774 2.402 1.00 0.00 C ATOM 1056 CG ASN A 69 -11.777 -3.832 1.546 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -12.506 -4.686 2.050 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.528 -3.781 0.243 1.00 0.00 N ATOM 0 H ASN A 69 -10.835 -1.461 4.468 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.062 -4.209 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.846 -2.024 2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.347 -2.263 1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.948 -4.468 -0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.917 -3.055 -0.131 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.196 -2.933 2.928 1.00 0.00 N ATOM 1066 CA ALA A 70 -6.818 -3.272 2.595 1.00 0.00 C ATOM 1067 C ALA A 70 -6.052 -3.733 3.832 1.00 0.00 C ATOM 1068 O ALA A 70 -5.111 -4.520 3.735 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.121 -2.083 1.953 1.00 0.00 C ATOM 0 H ALA A 70 -8.427 -1.946 2.813 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.835 -4.096 1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.093 -2.352 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.648 -1.801 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.122 -1.242 2.647 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.462 -3.235 4.994 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.813 -3.593 6.249 1.00 0.00 C ATOM 1077 C PHE A 71 -6.090 -5.050 6.609 1.00 0.00 C ATOM 1078 O PHE A 71 -5.177 -5.803 6.941 1.00 0.00 O ATOM 1079 CB PHE A 71 -6.295 -2.678 7.377 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.620 -1.335 7.389 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -5.332 -0.679 6.203 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -5.274 -0.730 8.587 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -4.711 0.555 6.212 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -4.652 0.504 8.601 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.372 1.148 7.412 1.00 0.00 C ATOM 0 H PHE A 71 -7.240 -2.583 5.092 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.738 -3.466 6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.371 -2.534 7.283 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.122 -3.171 8.333 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.596 -1.137 5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.493 -1.228 9.520 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.491 1.056 5.281 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.385 0.964 9.541 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.889 2.114 7.421 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.360 -5.438 6.540 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.760 -6.805 6.859 1.00 0.00 C ATOM 1097 C ASN A 72 -7.462 -7.744 5.695 1.00 0.00 C ATOM 1098 O ASN A 72 -6.842 -8.794 5.871 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.249 -6.855 7.203 1.00 0.00 C ATOM 1100 CG ASN A 72 -10.127 -6.868 5.967 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -10.156 -7.847 5.221 1.00 0.00 O ATOM 1102 ND2 ASN A 72 -10.849 -5.776 5.742 1.00 0.00 N ATOM 0 H ASN A 72 -8.129 -4.826 6.266 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.184 -7.134 7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.452 -7.745 7.799 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.506 -5.993 7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.458 -5.726 4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.795 -4.987 6.386 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.907 -7.360 4.504 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.689 -8.168 3.308 1.00 0.00 C ATOM 1111 C LEU A 73 -6.252 -8.674 3.249 1.00 0.00 C ATOM 1112 O LEU A 73 -6.009 -9.854 2.996 1.00 0.00 O ATOM 1113 CB LEU A 73 -8.007 -7.353 2.054 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.490 -7.205 1.707 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.667 -6.314 0.489 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -10.120 -8.570 1.468 1.00 0.00 C ATOM 0 H LEU A 73 -8.421 -6.494 4.340 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.356 -9.029 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.582 -6.357 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.501 -7.815 1.207 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.996 -6.736 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.728 -6.221 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.253 -5.327 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.147 -6.754 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.175 -8.446 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.611 -9.066 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.026 -9.177 2.369 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.302 -7.774 3.485 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.889 -8.130 3.462 1.00 0.00 C ATOM 1130 C ALA A 74 -3.526 -9.015 4.651 1.00 0.00 C ATOM 1131 O ALA A 74 -2.658 -9.880 4.549 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.028 -6.876 3.454 1.00 0.00 C ATOM 0 H ALA A 74 -5.486 -6.793 3.694 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.698 -8.695 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.975 -7.158 3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.259 -6.282 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.232 -6.289 4.349 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.198 -8.790 5.776 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.944 -9.567 6.984 1.00 0.00 C ATOM 1140 C GLU A 75 -4.593 -10.944 6.892 1.00 0.00 C ATOM 1141 O GLU A 75 -4.324 -11.825 7.708 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.470 -8.823 8.214 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.382 -9.633 9.497 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.591 -10.522 9.709 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.677 -10.178 9.197 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -5.453 -11.561 10.388 1.00 0.00 O ATOM 0 H GLU A 75 -4.921 -8.078 5.876 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.866 -9.699 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.906 -7.899 8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.509 -8.542 8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.483 -10.249 9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.281 -8.955 10.344 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.450 -11.122 5.892 1.00 0.00 N ATOM 1154 CA LYS A 76 -6.138 -12.391 5.690 1.00 0.00 C ATOM 1155 C LYS A 76 -5.600 -13.113 4.460 1.00 0.00 C ATOM 1156 O LYS A 76 -5.014 -14.189 4.568 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.644 -12.160 5.542 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.473 -13.419 5.723 1.00 0.00 C ATOM 1159 CD LYS A 76 -8.680 -14.145 4.403 1.00 0.00 C ATOM 1160 CE LYS A 76 -9.795 -13.509 3.586 1.00 0.00 C ATOM 1161 NZ LYS A 76 -10.478 -14.503 2.713 1.00 0.00 N ATOM 0 H LYS A 76 -5.685 -10.402 5.208 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.957 -13.017 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.963 -11.417 6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.844 -11.742 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.978 -14.083 6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.441 -13.160 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.753 -14.130 3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.919 -15.191 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.523 -13.054 4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.384 -12.708 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.495 -14.289 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.077 -14.457 1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.340 -15.458 3.100 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.801 -12.511 3.291 1.00 0.00 N ATOM 1176 CA GLU A 77 -5.336 -13.098 2.041 1.00 0.00 C ATOM 1177 C GLU A 77 -3.816 -13.237 2.038 1.00 0.00 C ATOM 1178 O GLU A 77 -3.282 -14.345 2.095 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.782 -12.243 0.852 1.00 0.00 C ATOM 1180 CG GLU A 77 -7.287 -12.238 0.638 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.800 -13.551 0.080 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -6.974 -14.352 -0.404 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -9.028 -13.775 0.126 1.00 0.00 O ATOM 0 H GLU A 77 -6.282 -11.618 3.185 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.776 -14.091 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.441 -11.219 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.296 -12.610 -0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.784 -12.031 1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.551 -11.430 -0.044 1.00 0.00 H new ATOM 1190 N LEU A 78 -3.124 -12.105 1.970 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.665 -12.098 1.960 1.00 0.00 C ATOM 1192 C LEU A 78 -1.109 -12.745 3.224 1.00 0.00 C ATOM 1193 O LEU A 78 -0.232 -13.606 3.159 1.00 0.00 O ATOM 1194 CB LEU A 78 -1.142 -10.667 1.834 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.790 -9.809 0.745 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.315 -8.368 0.848 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.486 -10.377 -0.632 1.00 0.00 C ATOM 0 H LEU A 78 -3.550 -11.179 1.921 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.330 -12.677 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.278 -10.166 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.069 -10.709 1.646 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.870 -9.824 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.786 -7.773 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.586 -7.965 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.232 -8.332 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.955 -9.754 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.407 -10.393 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.878 -11.392 -0.702 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.628 -12.326 4.375 1.00 0.00 N ATOM 1210 CA GLY A 79 -1.171 -12.877 5.638 1.00 0.00 C ATOM 1211 C GLY A 79 -0.165 -11.980 6.331 1.00 0.00 C ATOM 1212 O GLY A 79 0.840 -12.456 6.862 1.00 0.00 O ATOM 0 H GLY A 79 -2.356 -11.616 4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.027 -13.032 6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.722 -13.855 5.463 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.432 -10.679 6.327 1.00 0.00 N ATOM 1217 CA LEU A 80 0.460 -9.713 6.959 1.00 0.00 C ATOM 1218 C LEU A 80 -0.149 -9.173 8.250 1.00 0.00 C ATOM 1219 O LEU A 80 -1.276 -9.518 8.610 1.00 0.00 O ATOM 1220 CB LEU A 80 0.755 -8.559 6.001 1.00 0.00 C ATOM 1221 CG LEU A 80 1.456 -8.934 4.694 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.057 -7.978 3.582 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.967 -8.938 4.882 1.00 0.00 C ATOM 0 H LEU A 80 -1.259 -10.268 5.893 1.00 0.00 H new ATOM 0 HA LEU A 80 1.392 -10.222 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.186 -8.066 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.371 -7.828 6.524 1.00 0.00 H new ATOM 0 HG LEU A 80 1.143 -9.939 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.565 -8.260 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.021 -8.025 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.341 -6.962 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.450 -9.207 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.298 -7.946 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.236 -9.664 5.649 1.00 0.00 H new ATOM 1235 N THR A 81 0.601 -8.323 8.943 1.00 0.00 N ATOM 1236 CA THR A 81 0.136 -7.735 10.192 1.00 0.00 C ATOM 1237 C THR A 81 -0.068 -6.231 10.050 1.00 0.00 C ATOM 1238 O THR A 81 0.895 -5.469 9.957 1.00 0.00 O ATOM 1239 CB THR A 81 1.127 -8.000 11.342 1.00 0.00 C ATOM 1240 OG1 THR A 81 1.320 -9.409 11.507 1.00 0.00 O ATOM 1241 CG2 THR A 81 0.620 -7.396 12.643 1.00 0.00 C ATOM 0 H THR A 81 1.535 -8.026 8.660 1.00 0.00 H new ATOM 0 HA THR A 81 -0.817 -8.208 10.427 1.00 0.00 H new ATOM 0 HB THR A 81 2.078 -7.531 11.089 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.952 -9.569 12.238 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.336 -7.596 13.440 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.502 -6.319 12.523 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.342 -7.840 12.900 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.327 -5.809 10.033 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.660 -4.395 9.903 1.00 0.00 C ATOM 1251 C LYS A 82 -1.081 -3.592 11.064 1.00 0.00 C ATOM 1252 O LYS A 82 -1.686 -3.505 12.134 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.178 -4.209 9.847 1.00 0.00 C ATOM 1254 CG LYS A 82 -3.895 -4.675 11.102 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.349 -5.011 10.820 1.00 0.00 C ATOM 1256 CE LYS A 82 -5.951 -5.858 11.932 1.00 0.00 C ATOM 1257 NZ LYS A 82 -5.435 -7.255 11.907 1.00 0.00 N ATOM 0 H LYS A 82 -2.135 -6.427 10.108 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.222 -4.028 8.975 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.400 -3.155 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.571 -4.756 8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.390 -5.552 11.507 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.841 -3.897 11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.922 -4.090 10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.423 -5.546 9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.725 -5.405 12.897 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.036 -5.870 11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.364 -7.616 12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.085 -7.856 11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.495 -7.270 11.463 1.00 0.00 H new ATOM 1271 N LEU A 83 0.090 -3.005 10.846 1.00 0.00 N ATOM 1272 CA LEU A 83 0.749 -2.207 11.875 1.00 0.00 C ATOM 1273 C LEU A 83 -0.075 -0.970 12.214 1.00 0.00 C ATOM 1274 O LEU A 83 -0.242 -0.625 13.385 1.00 0.00 O ATOM 1275 CB LEU A 83 2.146 -1.792 11.409 1.00 0.00 C ATOM 1276 CG LEU A 83 2.986 -2.886 10.749 1.00 0.00 C ATOM 1277 CD1 LEU A 83 4.239 -2.293 10.124 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.352 -3.961 11.762 1.00 0.00 C ATOM 0 H LEU A 83 0.603 -3.066 9.967 1.00 0.00 H new ATOM 0 HA LEU A 83 0.839 -2.818 12.773 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.042 -0.967 10.704 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.695 -1.409 12.269 1.00 0.00 H new ATOM 0 HG LEU A 83 2.393 -3.346 9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.824 -3.086 9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.957 -1.560 9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.836 -1.807 10.896 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.950 -4.731 11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.926 -3.515 12.574 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.442 -4.407 12.164 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.589 -0.306 11.184 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.398 0.892 11.374 1.00 0.00 C ATOM 1292 C LEU A 84 -2.875 0.536 11.514 1.00 0.00 C ATOM 1293 O LEU A 84 -3.249 -0.636 11.460 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.202 1.854 10.200 1.00 0.00 C ATOM 1295 CG LEU A 84 0.232 2.315 9.943 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.303 3.160 8.680 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.766 3.091 11.137 1.00 0.00 C ATOM 0 H LEU A 84 -0.460 -0.577 10.209 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.073 1.379 12.293 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.575 1.373 9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.821 2.735 10.371 1.00 0.00 H new ATOM 0 HG LEU A 84 0.856 1.433 9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.332 3.479 8.513 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.037 2.571 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.335 4.036 8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.788 3.411 10.935 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.140 3.966 11.312 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.753 2.453 12.021 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.709 1.554 11.689 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.146 1.350 11.833 1.00 0.00 C ATOM 1311 C ASP A 85 -5.920 2.215 10.844 1.00 0.00 C ATOM 1312 O ASP A 85 -5.458 3.272 10.411 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.588 1.667 13.262 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.386 0.496 14.205 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -6.149 -0.486 14.102 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -4.464 0.563 15.045 1.00 0.00 O ATOM 0 H ASP A 85 -3.415 2.530 11.735 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.362 0.303 11.619 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.028 2.527 13.630 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.641 1.950 13.259 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.126 1.759 10.475 1.00 0.00 N ATOM 1322 CA PRO A 86 -7.990 2.475 9.531 1.00 0.00 C ATOM 1323 C PRO A 86 -8.550 3.764 10.124 1.00 0.00 C ATOM 1324 O PRO A 86 -9.311 4.478 9.471 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.117 1.479 9.256 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.159 0.609 10.464 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.740 0.507 10.950 1.00 0.00 C ATOM 0 HA PRO A 86 -7.450 2.784 8.636 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.068 1.990 9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.920 0.897 8.356 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.804 1.037 11.231 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.561 -0.375 10.222 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.692 0.423 12.036 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.237 -0.368 10.540 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.168 4.055 11.363 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.634 5.259 12.043 1.00 0.00 C ATOM 1337 C GLU A 87 -7.496 6.262 12.216 1.00 0.00 C ATOM 1338 O GLU A 87 -7.609 7.420 11.813 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.228 4.904 13.408 1.00 0.00 C ATOM 1340 CG GLU A 87 -10.420 3.966 13.328 1.00 0.00 C ATOM 1341 CD GLU A 87 -11.089 3.757 14.672 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -11.391 4.763 15.347 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -11.309 2.587 15.049 1.00 0.00 O ATOM 0 H GLU A 87 -7.538 3.475 11.917 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.408 5.717 11.426 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.455 4.443 14.023 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.532 5.821 13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.147 4.368 12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.094 3.003 12.935 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.402 5.807 12.816 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.243 6.664 13.043 1.00 0.00 C ATOM 1352 C ASP A 88 -4.746 7.262 11.732 1.00 0.00 C ATOM 1353 O ASP A 88 -4.534 8.470 11.629 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.121 5.870 13.714 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.393 5.611 15.183 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -4.434 6.588 15.959 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -4.566 4.431 15.555 1.00 0.00 O ATOM 0 H ASP A 88 -6.293 4.851 13.154 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.546 7.478 13.701 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.994 4.918 13.198 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.183 6.415 13.612 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.560 6.408 10.729 1.00 0.00 N ATOM 1363 CA VAL A 89 -4.087 6.853 9.424 1.00 0.00 C ATOM 1364 C VAL A 89 -4.957 7.979 8.878 1.00 0.00 C ATOM 1365 O VAL A 89 -4.451 8.982 8.378 1.00 0.00 O ATOM 1366 CB VAL A 89 -4.069 5.694 8.409 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.697 6.203 7.025 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -3.109 4.605 8.862 1.00 0.00 C ATOM 0 H VAL A 89 -4.730 5.405 10.796 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.070 7.220 9.564 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.069 5.265 8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.689 5.371 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.427 6.945 6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.707 6.659 7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.109 3.794 8.134 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.104 5.018 8.946 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.426 4.221 9.832 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.272 7.805 8.978 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.215 8.807 8.495 1.00 0.00 C ATOM 1380 C ASN A 90 -7.110 10.091 9.311 1.00 0.00 C ATOM 1381 O ASN A 90 -7.802 10.258 10.316 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.644 8.264 8.555 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.612 9.090 7.731 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.232 9.692 6.726 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.870 9.125 8.155 1.00 0.00 N ATOM 0 H ASN A 90 -6.708 6.979 9.389 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.965 9.036 7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.654 7.234 8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.979 8.244 9.592 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.566 9.666 7.642 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -11.140 8.611 8.993 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.242 10.997 8.872 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.048 12.267 9.561 1.00 0.00 C ATOM 1394 C VAL A 91 -5.522 13.334 8.608 1.00 0.00 C ATOM 1395 O VAL A 91 -5.024 13.024 7.526 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.070 12.121 10.743 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.744 11.544 10.270 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -4.862 13.462 11.429 1.00 0.00 C ATOM 0 H VAL A 91 -5.662 10.875 8.042 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.022 12.573 9.942 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.502 11.430 11.467 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.066 11.448 11.118 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.912 10.563 9.827 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.303 12.208 9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.169 13.341 12.261 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.451 14.176 10.715 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.817 13.831 11.803 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.636 14.593 9.018 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.171 15.708 8.201 1.00 0.00 C ATOM 1410 C ASP A 92 -3.732 15.484 7.746 1.00 0.00 C ATOM 1411 O ASP A 92 -3.435 15.528 6.553 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.273 17.018 8.984 1.00 0.00 C ATOM 1413 CG ASP A 92 -6.621 17.692 8.811 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.576 17.296 9.511 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -6.720 18.615 7.977 1.00 0.00 O ATOM 0 H ASP A 92 -6.046 14.867 9.911 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.807 15.771 7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.102 16.820 10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.486 17.697 8.656 1.00 0.00 H new ATOM 1420 N GLN A 93 -2.844 15.246 8.705 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.435 15.017 8.402 1.00 0.00 C ATOM 1422 C GLN A 93 -0.901 13.815 9.173 1.00 0.00 C ATOM 1423 O GLN A 93 -0.305 13.948 10.243 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.611 16.262 8.738 1.00 0.00 C ATOM 1425 CG GLN A 93 -0.975 16.890 10.074 1.00 0.00 C ATOM 1426 CD GLN A 93 0.070 17.877 10.557 1.00 0.00 C ATOM 1427 OE1 GLN A 93 1.236 17.526 10.738 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -0.345 19.120 10.770 1.00 0.00 N ATOM 0 H GLN A 93 -3.074 15.207 9.698 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.347 14.809 7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.446 15.996 8.747 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.747 17.002 7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.935 17.398 9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.099 16.104 10.819 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.321 19.367 10.607 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.312 19.828 11.097 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.117 12.613 8.620 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.665 11.364 9.239 1.00 0.00 C ATOM 1439 C PRO A 94 0.853 11.216 9.204 1.00 0.00 C ATOM 1440 O PRO A 94 1.500 11.594 8.226 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.328 10.282 8.382 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.548 10.930 7.059 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.820 12.380 7.348 1.00 0.00 C ATOM 0 HA PRO A 94 -0.931 11.313 10.295 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.690 9.403 8.291 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.268 9.950 8.822 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.673 10.817 6.419 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.387 10.472 6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.441 13.025 6.556 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.888 12.578 7.437 1.00 0.00 H new ATOM 1451 N ASP A 95 1.414 10.662 10.274 1.00 0.00 N ATOM 1452 CA ASP A 95 2.856 10.463 10.363 1.00 0.00 C ATOM 1453 C ASP A 95 3.363 9.630 9.190 1.00 0.00 C ATOM 1454 O ASP A 95 3.288 8.401 9.211 1.00 0.00 O ATOM 1455 CB ASP A 95 3.215 9.779 11.683 1.00 0.00 C ATOM 1456 CG ASP A 95 2.113 8.869 12.184 1.00 0.00 C ATOM 1457 OD1 ASP A 95 1.257 8.468 11.367 1.00 0.00 O ATOM 1458 OD2 ASP A 95 2.102 8.557 13.394 1.00 0.00 O ATOM 0 H ASP A 95 0.893 10.343 11.091 1.00 0.00 H new ATOM 0 HA ASP A 95 3.337 11.440 10.325 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.129 9.199 11.551 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.425 10.538 12.436 1.00 0.00 H new ATOM 1463 N GLU A 96 3.879 10.307 8.169 1.00 0.00 N ATOM 1464 CA GLU A 96 4.396 9.629 6.987 1.00 0.00 C ATOM 1465 C GLU A 96 5.389 8.537 7.377 1.00 0.00 C ATOM 1466 O GLU A 96 5.520 7.526 6.687 1.00 0.00 O ATOM 1467 CB GLU A 96 5.069 10.633 6.048 1.00 0.00 C ATOM 1468 CG GLU A 96 6.115 11.498 6.732 1.00 0.00 C ATOM 1469 CD GLU A 96 7.063 12.153 5.747 1.00 0.00 C ATOM 1470 OE1 GLU A 96 7.219 11.622 4.628 1.00 0.00 O ATOM 1471 OE2 GLU A 96 7.651 13.199 6.096 1.00 0.00 O ATOM 0 H GLU A 96 3.950 11.324 8.137 1.00 0.00 H new ATOM 0 HA GLU A 96 3.556 9.165 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.538 10.092 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.306 11.277 5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.616 12.269 7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.687 10.887 7.430 1.00 0.00 H new ATOM 1478 N LYS A 97 6.085 8.748 8.489 1.00 0.00 N ATOM 1479 CA LYS A 97 7.065 7.783 8.973 1.00 0.00 C ATOM 1480 C LYS A 97 6.386 6.491 9.412 1.00 0.00 C ATOM 1481 O LYS A 97 6.891 5.397 9.163 1.00 0.00 O ATOM 1482 CB LYS A 97 7.860 8.376 10.138 1.00 0.00 C ATOM 1483 CG LYS A 97 8.713 9.570 9.748 1.00 0.00 C ATOM 1484 CD LYS A 97 9.923 9.149 8.932 1.00 0.00 C ATOM 1485 CE LYS A 97 10.345 10.237 7.956 1.00 0.00 C ATOM 1486 NZ LYS A 97 11.737 10.036 7.468 1.00 0.00 N ATOM 0 H LYS A 97 5.988 9.579 9.072 1.00 0.00 H new ATOM 0 HA LYS A 97 7.747 7.553 8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.167 8.677 10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.503 7.603 10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.113 10.275 9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.043 10.092 10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.752 8.918 9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.693 8.236 8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.661 10.249 7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.267 11.210 8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.986 10.798 6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.393 10.050 8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.806 9.119 6.982 1.00 0.00 H new ATOM 1500 N SER A 98 5.236 6.625 10.067 1.00 0.00 N ATOM 1501 CA SER A 98 4.488 5.467 10.544 1.00 0.00 C ATOM 1502 C SER A 98 3.843 4.721 9.379 1.00 0.00 C ATOM 1503 O SER A 98 3.311 3.624 9.550 1.00 0.00 O ATOM 1504 CB SER A 98 3.415 5.903 11.542 1.00 0.00 C ATOM 1505 OG SER A 98 3.981 6.182 12.810 1.00 0.00 O ATOM 0 H SER A 98 4.803 7.524 10.279 1.00 0.00 H new ATOM 0 HA SER A 98 5.185 4.794 11.043 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.903 6.789 11.166 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.665 5.118 11.640 1.00 0.00 H new ATOM 0 HG SER A 98 3.460 6.883 13.254 1.00 0.00 H new ATOM 1511 N ILE A 99 3.895 5.324 8.197 1.00 0.00 N ATOM 1512 CA ILE A 99 3.317 4.718 7.004 1.00 0.00 C ATOM 1513 C ILE A 99 4.396 4.086 6.131 1.00 0.00 C ATOM 1514 O ILE A 99 4.291 2.923 5.740 1.00 0.00 O ATOM 1515 CB ILE A 99 2.535 5.749 6.169 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.392 6.344 6.995 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.999 5.106 4.900 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.815 7.611 6.403 1.00 0.00 C ATOM 0 H ILE A 99 4.332 6.232 8.039 1.00 0.00 H new ATOM 0 HA ILE A 99 2.629 3.944 7.346 1.00 0.00 H new ATOM 0 HB ILE A 99 3.212 6.555 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.599 5.603 7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.753 6.555 8.002 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.449 5.848 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.830 4.725 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.333 4.283 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.010 7.977 7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.596 8.369 6.334 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.423 7.402 5.408 1.00 0.00 H new ATOM 1530 N ILE A 100 5.433 4.861 5.829 1.00 0.00 N ATOM 1531 CA ILE A 100 6.533 4.376 5.004 1.00 0.00 C ATOM 1532 C ILE A 100 6.970 2.980 5.435 1.00 0.00 C ATOM 1533 O ILE A 100 7.210 2.107 4.601 1.00 0.00 O ATOM 1534 CB ILE A 100 7.744 5.325 5.068 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.363 6.711 4.546 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.907 4.753 4.272 1.00 0.00 C ATOM 1537 CD1 ILE A 100 8.146 7.835 5.187 1.00 0.00 C ATOM 0 H ILE A 100 5.534 5.826 6.143 1.00 0.00 H new ATOM 0 HA ILE A 100 6.166 4.337 3.978 1.00 0.00 H new ATOM 0 HB ILE A 100 8.055 5.424 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.519 6.740 3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.299 6.876 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.756 5.435 4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.191 3.786 4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.609 4.628 3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.823 8.788 4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.971 7.833 6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.209 7.695 4.992 1.00 0.00 H new ATOM 1549 N THR A 101 7.071 2.776 6.744 1.00 0.00 N ATOM 1550 CA THR A 101 7.478 1.487 7.288 1.00 0.00 C ATOM 1551 C THR A 101 6.418 0.422 7.031 1.00 0.00 C ATOM 1552 O THR A 101 6.738 -0.714 6.676 1.00 0.00 O ATOM 1553 CB THR A 101 7.745 1.574 8.802 1.00 0.00 C ATOM 1554 OG1 THR A 101 8.644 2.653 9.080 1.00 0.00 O ATOM 1555 CG2 THR A 101 8.332 0.271 9.324 1.00 0.00 C ATOM 0 H THR A 101 6.876 3.488 7.448 1.00 0.00 H new ATOM 0 HA THR A 101 8.401 1.208 6.780 1.00 0.00 H new ATOM 0 HB THR A 101 6.795 1.754 9.306 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.147 3.498 9.094 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.512 0.357 10.396 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.632 -0.544 9.138 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.273 0.065 8.813 1.00 0.00 H new ATOM 1563 N TYR A 102 5.156 0.795 7.211 1.00 0.00 N ATOM 1564 CA TYR A 102 4.049 -0.129 6.999 1.00 0.00 C ATOM 1565 C TYR A 102 3.954 -0.540 5.533 1.00 0.00 C ATOM 1566 O TYR A 102 4.026 -1.724 5.201 1.00 0.00 O ATOM 1567 CB TYR A 102 2.732 0.508 7.448 1.00 0.00 C ATOM 1568 CG TYR A 102 1.505 -0.215 6.940 1.00 0.00 C ATOM 1569 CD1 TYR A 102 1.086 -1.405 7.520 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.765 0.293 5.878 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.034 -2.070 7.058 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.357 -0.364 5.412 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.753 -1.544 6.004 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.869 -2.202 5.541 1.00 0.00 O ATOM 0 H TYR A 102 4.874 1.731 7.503 1.00 0.00 H new ATOM 0 HA TYR A 102 4.236 -1.022 7.596 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.703 0.533 8.537 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.702 1.542 7.104 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.645 -1.818 8.347 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.073 1.216 5.410 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.345 -2.996 7.519 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.922 0.045 4.587 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.391 -1.600 4.971 1.00 0.00 H new ATOM 1584 N VAL A 103 3.790 0.448 4.657 1.00 0.00 N ATOM 1585 CA VAL A 103 3.687 0.192 3.226 1.00 0.00 C ATOM 1586 C VAL A 103 4.859 -0.650 2.733 1.00 0.00 C ATOM 1587 O VAL A 103 4.717 -1.448 1.807 1.00 0.00 O ATOM 1588 CB VAL A 103 3.639 1.505 2.423 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.888 2.334 2.679 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.475 1.215 0.939 1.00 0.00 C ATOM 0 H VAL A 103 3.726 1.433 4.915 1.00 0.00 H new ATOM 0 HA VAL A 103 2.758 -0.356 3.068 1.00 0.00 H new ATOM 0 HB VAL A 103 2.776 2.082 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.836 3.258 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.956 2.572 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.769 1.767 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.443 2.154 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.317 0.617 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.548 0.666 0.776 1.00 0.00 H new ATOM 1600 N ALA A 104 6.018 -0.466 3.358 1.00 0.00 N ATOM 1601 CA ALA A 104 7.213 -1.210 2.984 1.00 0.00 C ATOM 1602 C ALA A 104 6.925 -2.705 2.894 1.00 0.00 C ATOM 1603 O ALA A 104 7.429 -3.393 2.006 1.00 0.00 O ATOM 1604 CB ALA A 104 8.333 -0.946 3.981 1.00 0.00 C ATOM 0 H ALA A 104 6.154 0.192 4.125 1.00 0.00 H new ATOM 0 HA ALA A 104 7.529 -0.868 1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.220 -1.508 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.566 0.119 3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.016 -1.259 4.976 1.00 0.00 H new ATOM 1610 N THR A 105 6.110 -3.203 3.818 1.00 0.00 N ATOM 1611 CA THR A 105 5.755 -4.616 3.845 1.00 0.00 C ATOM 1612 C THR A 105 5.154 -5.056 2.514 1.00 0.00 C ATOM 1613 O THR A 105 5.477 -6.126 2.001 1.00 0.00 O ATOM 1614 CB THR A 105 4.754 -4.923 4.975 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.550 -4.174 4.779 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.352 -4.589 6.333 1.00 0.00 C ATOM 0 H THR A 105 5.683 -2.647 4.559 1.00 0.00 H new ATOM 0 HA THR A 105 6.676 -5.171 4.026 1.00 0.00 H new ATOM 0 HB THR A 105 4.526 -5.989 4.950 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.774 -3.242 4.577 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.627 -4.814 7.115 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.252 -5.184 6.490 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.606 -3.530 6.368 1.00 0.00 H new ATOM 1624 N TYR A 106 4.278 -4.224 1.963 1.00 0.00 N ATOM 1625 CA TYR A 106 3.630 -4.529 0.693 1.00 0.00 C ATOM 1626 C TYR A 106 4.664 -4.757 -0.406 1.00 0.00 C ATOM 1627 O TYR A 106 4.489 -5.616 -1.270 1.00 0.00 O ATOM 1628 CB TYR A 106 2.686 -3.394 0.292 1.00 0.00 C ATOM 1629 CG TYR A 106 1.338 -3.460 0.972 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.237 -3.704 2.337 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.164 -3.278 0.252 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.007 -3.766 2.963 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -1.070 -3.336 0.870 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.144 -3.581 2.225 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.372 -3.641 2.845 1.00 0.00 O ATOM 0 H TYR A 106 4.000 -3.333 2.375 1.00 0.00 H new ATOM 0 HA TYR A 106 3.053 -5.445 0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.157 -2.440 0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.540 -3.418 -0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.136 -3.848 2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.217 -3.088 -0.810 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.053 -3.958 4.024 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.972 -3.190 0.295 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.318 -3.206 3.721 1.00 0.00 H new ATOM 1645 N TYR A 107 5.741 -3.981 -0.365 1.00 0.00 N ATOM 1646 CA TYR A 107 6.804 -4.097 -1.356 1.00 0.00 C ATOM 1647 C TYR A 107 7.679 -5.315 -1.079 1.00 0.00 C ATOM 1648 O TYR A 107 7.894 -6.152 -1.957 1.00 0.00 O ATOM 1649 CB TYR A 107 7.663 -2.830 -1.363 1.00 0.00 C ATOM 1650 CG TYR A 107 9.007 -3.013 -2.031 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.100 -3.234 -3.400 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.183 -2.965 -1.294 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.326 -3.403 -4.015 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.414 -3.131 -1.900 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.480 -3.350 -3.260 1.00 0.00 C ATOM 1656 OH TYR A 107 12.702 -3.516 -3.868 1.00 0.00 O ATOM 0 H TYR A 107 5.901 -3.265 0.344 1.00 0.00 H new ATOM 0 HA TYR A 107 6.340 -4.221 -2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.119 -2.035 -1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.819 -2.501 -0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.199 -3.274 -3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.135 -2.795 -0.229 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.381 -3.575 -5.080 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.319 -3.089 -1.312 1.00 0.00 H new ATOM 0 HH TYR A 107 13.413 -3.450 -3.197 1.00 0.00 H new ATOM 1666 N HIS A 108 8.180 -5.409 0.148 1.00 0.00 N ATOM 1667 CA HIS A 108 9.031 -6.526 0.543 1.00 0.00 C ATOM 1668 C HIS A 108 8.356 -7.859 0.232 1.00 0.00 C ATOM 1669 O HIS A 108 8.907 -8.691 -0.489 1.00 0.00 O ATOM 1670 CB HIS A 108 9.358 -6.444 2.034 1.00 0.00 C ATOM 1671 CG HIS A 108 10.549 -5.588 2.339 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.815 -5.864 1.865 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.662 -4.456 3.072 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.655 -4.940 2.296 1.00 0.00 C ATOM 1675 NE2 HIS A 108 11.981 -4.074 3.031 1.00 0.00 N ATOM 0 H HIS A 108 8.012 -4.725 0.886 1.00 0.00 H new ATOM 0 HA HIS A 108 9.957 -6.464 -0.028 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.492 -6.051 2.567 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.536 -7.450 2.414 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.864 -3.948 3.592 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.713 -4.900 2.083 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.376 -3.255 3.493 1.00 0.00 H new ATOM 1684 N TYR A 109 7.163 -8.055 0.781 1.00 0.00 N ATOM 1685 CA TYR A 109 6.415 -9.288 0.565 1.00 0.00 C ATOM 1686 C TYR A 109 6.423 -9.678 -0.910 1.00 0.00 C ATOM 1687 O TYR A 109 7.060 -10.655 -1.303 1.00 0.00 O ATOM 1688 CB TYR A 109 4.975 -9.128 1.054 1.00 0.00 C ATOM 1689 CG TYR A 109 4.052 -10.232 0.591 1.00 0.00 C ATOM 1690 CD1 TYR A 109 4.103 -11.495 1.167 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.127 -10.011 -0.423 1.00 0.00 C ATOM 1692 CE1 TYR A 109 3.262 -12.506 0.745 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.281 -11.016 -0.850 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.352 -12.263 -0.262 1.00 0.00 C ATOM 1695 OH TYR A 109 1.512 -13.267 -0.684 1.00 0.00 O ATOM 0 H TYR A 109 6.693 -7.376 1.379 1.00 0.00 H new ATOM 0 HA TYR A 109 6.899 -10.081 1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 109 4.972 -9.096 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.586 -8.171 0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.812 -11.690 1.958 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.069 -9.037 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.317 -13.483 1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.568 -10.827 -1.639 1.00 0.00 H new ATOM 0 HH TYR A 109 0.933 -12.930 -1.399 1.00 0.00 H new ATOM 1705 N PHE A 110 5.709 -8.905 -1.724 1.00 0.00 N ATOM 1706 CA PHE A 110 5.632 -9.169 -3.155 1.00 0.00 C ATOM 1707 C PHE A 110 7.024 -9.384 -3.744 1.00 0.00 C ATOM 1708 O PHE A 110 7.233 -10.284 -4.558 1.00 0.00 O ATOM 1709 CB PHE A 110 4.936 -8.010 -3.872 1.00 0.00 C ATOM 1710 CG PHE A 110 3.447 -8.176 -3.973 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.897 -9.101 -4.845 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.597 -7.406 -3.195 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.527 -9.255 -4.939 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.226 -7.555 -3.285 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.690 -8.482 -4.158 1.00 0.00 C ATOM 0 H PHE A 110 5.176 -8.092 -1.416 1.00 0.00 H new ATOM 0 HA PHE A 110 5.050 -10.079 -3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.155 -7.082 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.352 -7.912 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.546 -9.709 -5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.011 -6.681 -2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.111 -9.980 -5.623 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.575 -6.948 -2.674 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.381 -8.602 -4.230 1.00 0.00 H new ATOM 1725 N SER A 111 7.972 -8.550 -3.327 1.00 0.00 N ATOM 1726 CA SER A 111 9.342 -8.645 -3.816 1.00 0.00 C ATOM 1727 C SER A 111 9.896 -10.052 -3.611 1.00 0.00 C ATOM 1728 O SER A 111 10.359 -10.695 -4.553 1.00 0.00 O ATOM 1729 CB SER A 111 10.232 -7.626 -3.102 1.00 0.00 C ATOM 1730 OG SER A 111 11.462 -7.456 -3.786 1.00 0.00 O ATOM 0 H SER A 111 7.816 -7.801 -2.652 1.00 0.00 H new ATOM 0 HA SER A 111 9.336 -8.427 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.714 -6.669 -3.035 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.423 -7.957 -2.081 1.00 0.00 H new ATOM 0 HG SER A 111 12.012 -6.799 -3.311 1.00 0.00 H new ATOM 1736 N LYS A 112 9.846 -10.526 -2.370 1.00 0.00 N ATOM 1737 CA LYS A 112 10.340 -11.856 -2.038 1.00 0.00 C ATOM 1738 C LYS A 112 9.789 -12.899 -3.005 1.00 0.00 C ATOM 1739 O LYS A 112 10.519 -13.768 -3.479 1.00 0.00 O ATOM 1740 CB LYS A 112 9.955 -12.222 -0.603 1.00 0.00 C ATOM 1741 CG LYS A 112 10.516 -11.270 0.439 1.00 0.00 C ATOM 1742 CD LYS A 112 10.769 -11.975 1.761 1.00 0.00 C ATOM 1743 CE LYS A 112 12.174 -12.556 1.824 1.00 0.00 C ATOM 1744 NZ LYS A 112 13.184 -11.523 2.183 1.00 0.00 N ATOM 0 H LYS A 112 9.468 -10.007 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 112 11.426 -11.844 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.868 -12.238 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.306 -13.231 -0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.447 -10.836 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.819 -10.446 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.628 -11.272 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.038 -12.773 1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.202 -13.362 2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.430 -12.994 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.128 -11.957 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.176 -10.766 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.955 -11.122 3.115 1.00 0.00 H new